Simple List of New Papers of Band Calculations [Top]

The author (careful after 11/19, 1997) selects new papers in a field of electronic structure calculations and related studies.

All titles of a papers' list with the exception of Japanese titles are deleted because of possibility of copyright problems (11/19, 1997). ("et. al.," --> "et al.")

New papers [2007][2006][2005][2004][2003][2002][2001][2000][1999][1997-1998]
N. Ohba, et. al., Journal of the Physical Society of Japan, Vol. 81, No. 2, 023601(2012)[Enhanced thermal diffusion][Alternating vertical electric field]
K. Kobayashi and S. Komatsu, Journal of the Physical Society of Japan, Vol. 81, No. 2, 024714(2012)[Polytype][8H][10H][12H][18H]
O. Sakai and H. Harima, Journal of the Physical Society of Japan, Vol. 81, No. 2, 024717(2012)[LMTO][DMFT]
K. Kamiya and S. Okada, Japanese Journal of Applied Physics, Vol. 51, No. 1, 015001(2012)[Geometry][Nanoparticle]
T. Akiyama, et. al., Japanese Journal of Applied Physics, Vol. 51, No. 1, 018001(2012)[Reconstruction][Polar surface][Hydrogen rich]
B. P. Burton, A. van de Walle and H. T. Stokes, Journal of the Physical Society of Japan, Vol. 81, No. 1, 014004(2012)[VASP][Phase diagram][Octahedral-interstitial]
T. Kosugi1, T. Miyake and S. Ishibashi, Journal of the Physical Society of Japan, Vol. 81, No. 1, 014701(2012)[QMAS][Superconductor]
R. Wang, S. Tanaka and M. Kohyama, Materials Transactions, Vol. 53, No. 1, 140(2012)[QMAS][Tensile test][Tilt][Twist][Grain boundary]
S. Konbu, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 12, 123701(2011)[TAPP][Fermi-surface evolution][Substitution][Superconductor]
S. Okada, Journal of the Physical Society of Japan, Vol. 80, No. 12, 123704(2011)[Two-dimensionally polymerized coronene][Metallic sheet][sp²]
Y. Nohara, K. Nakamura and R. Arita, Journal of the Physical Society of Japan, Vol. 80, No. 12, 124705(2011)[TAPP][Correlated superatom model][Loaded][Zeolite]
L. Jiang, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 12, 124709(2011)[WIEN2k][Influence][Vacancy][Magnetic][Doped][Superlattice]
Y. Siao, P. Liu and Y. Wu, Applied Physics Express 4, 125601(2011)[VASP][Atomic][Surface]
C. Mitsumata, H. Tsuchiura and A. Sakuma, Applied Physics Express 4, 113002(2011)[WIEN2k][Model calculation][Magnetization reversal process][Hard magnet]
L. Yin and R. Saito, Journal of the Physical Society of Japan, Vol. 80, No. 11, 114707(2011)[VASP-PAW][Allotrope]
Y. Okuno and Y. Sakashita, Japanese Journal of Applied Physics, Vol. 50, No. 10, 101503(2011)[PWSCF][Piezoelectric response][MLWF][Ferroelectric]
N. Hosoya, K. Kusakabe and S. U. Maheswari, Japanese Journal of Applied Physics, Vol. 50, No. 10, 105101(2011)[Quantum-ESPRESSO][Deformed][Nanotube][Adsorbed][Enhanced reactivity][Deformation]
W. T. Cahyanto, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 10, 105602(2011)[VASP][Favorable pathway][Dissociative adsorption][Adatom coated][Surface]
S. Ding, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 10, 105701(2011)[CASTEP][Adhesion][Surface]
Y. Kaneta, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 10, 105803(2011)[VASP-PAW][Magnetic][Inter-metallic][Site-exchange defect]
M. Ogura, H. Akai and J. Kanamori, Journal of the Physical Society of Japan, Vol. 80, No. 10, 104711(2011) [KKR][Enhancement of magnetism]
A. Honda, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 9, 09NE01(2011)[VASP][Interaction][Vacancy][Doped]
H. Moriwake, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 9, 09NE02(2011)[STATE][Anisotropic permittivity][Tetragonal]
C. Chen, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 9, 091102(2011)[CASTEP][Crystalline][DOS]
H. Kageshima, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 9, 095601(2011)[TAPP][Epitaxial][Growth][Sublimation][Surface]
X. Li, W. Zhang and J. Du, Materials Transactions, Vol. 52, No. 9, 1717(2011)[CASTEP][Structural][Thermodynamic][Superconductor]
Y. Chino, et. al., Materials Transactions, Vol. 52, No. 9, 1840(2011)[CASTEP][Solid solution softening mechanisms][Alloy]
T. Akiyama, K. Nakamura and T. Ito, Japanese Journal of Applied Physics, Vol. 50, No. 8, 080216(2011)[Stability][Incorporated][Semipolar][Surface]
M. S. Alam, J. Lin and M. Saito, Japanese Journal of Applied Physics, Vol. 50, No. 8, 080213(2011)[PHASE][Interlayer distance][Two-layer]
T. Kariyado and M. Ogata, Journal of the Physical Society of Japan, Vol. 80, No. 8, 083704(2011)[WIEN2k][3D Dirac electron][Fermi energy][Cubic inverse perovskite]
K. Shirai, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 8, 084601(2011)[Experiment][Theory][Osaka2002][Structural][High pressure]
S. Suzuki, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 8, 084603(2011)[FFLCAO][Structural][Exchange-correlation energy functional]
Y. Kunisada, H. Nakanishi and H. Kasai, Journal of the Physical Society of Japan, Vol. 80, No. 8, 084605(2011)[VASP][Adsorption][Magnetic]
M. Sakoda, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 8, 084716(2011)[Experiment][Theory][FLAPW][High field magnetoresistance][dHvA]
H. Kageshima, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 7, 070115(2011)[TAPP][Magnetoelectric][Thermoelectric][Device]
H. Nakamura and M. Machida, Journal of the Physical Society of Japan, Vol. 80, No. 7, 073705(2011)[VASP-PAW][Doping effect][Superconductor]
M. Matsushita, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 7, 074605(2011)[Experiment][Theory][LMTO-ASA][Fermi surface][Crystalline][Electric field effect]
T. Kosugi, T. Miyake and S. Ishibashi, Journal of the Physical Society of Japan, Vol. 80, No. 7, 074713(2011)[QMAS-PAW][Slab thickness dependence][Rashba splitting][Surface][Model analyses]
K. Yuge, Materials Transactions, Vol. 52, No. 7, 1339(2011)[VASP-PAW][Stability][Icosahedral][Nanoparticle]
M. Yuasa and M. Mabuchi, Materials Transactions, Vol. 52, No. 7, 1369(2011)[CASTEP][Enhanced grain boundary][Embrittlement][Segregation]
K. Nakamura, T. Toriyama and S. Sugiyama, Japanese Journal of Applied Physics, Vol. 50, No. 6, 06GE05(2011)[VASP][FHI98md][Piezoresistivity][Nanosheet]
D. Su Yoo, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 6, 06GH10(2011)[VASP][Accurate electronic structure][Doped][Semilocal exchange-correlation potential]
H. Park, D. Su Yoo and Y. Chung, Japanese Journal of Applied Physics, Vol. 50, No. 6, 06GJ02(2011)[VASP-PAW][Adsorption][Diffusion][Substitution][Hydrogen storage]
T. Tamashiro, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 6, 064702(2011)[Dynamical CPA][Quantitative aspect][Harmonic approximation]
Y. Chino, et. al., Materials Transactions, Vol. 52, No. 6, 1324(2011)[CASTEP][Solid solution softening][Alloy]
T. Yamashita, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 5, 055001(2011)[Side facet][Adsorption-desorption][Top layer][Nanowire]
T. D. K. Wungu, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 5, 055701(2011)[Absorption][Tetrahedral site][Isomorphic substitution]
E. I. Isaev, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 5, 05FE01(2011)[EMTO][Elastic constant][Superalloy]
D. A. Huseinova, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 5, 05FE05(2011)[ABINIT][Lattice dynamics][Grüneisen parameter]
L. Isaeva, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 5, 05FE07(2011)[Quantum-ESPRESSO][Phonon][Magnetic]
V. Nelayev, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 5, 05FE08(2011)[VASP][Multiscale simulation][Nanostructured]
S. Nakamura, T. Maeda and T. Wada, Japanese Journal of Applied Physics, Vol. 50, No. 5, 05FF01(2011)[CASTEP][Phase stability][Photovoltaic]
A. Nakanishi and H. Katayama-Yoshida, Journal of the Physical Society of Japan, Vol. 80, No. 5, 053706(2011)[Quantum-ESPRESSO][SIC][Energy gap]
K. Yamguchi, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 4, 04DD05(2011)[TAPP][Atomistic design][Guiding principles][High quality][Memory][Vacancy][Charge trap layer]
T. Maeda, S. Nakamura and T. Wada, Japanese Journal of Applied Physics, Vol. 50, No. 4, 04DP07(2011)[CASTEP][Defect formation][In-free][Photovoltaic]
N. Orita, Japanese Journal of Applied Physics, Vol. 50, No. 4, 041102(2011)[QMAS-PAW][Lower resistivity][Atomsphere][GGA+U][Doped][Reduced]
M. C. S. Esca,Aq(Bo, T. Q. Nguyen and H. Kasai, Japanese Journal of Applied Physics, Vol. 50, No. 4, 045101(2011)[VASP-PAW][Molecular][Tuning][Nanotube hybrid system]
A. A. B. Padama, et. al., Japanese Journal of Applied Physics, Vol. 50, No. 4, 045701(2011)[VASP-PAW][Dissociation][Adsorption][Process][Surface]
H. Fujii, et. al., Applied Physics Express 4, 043003(2011)[MACHIKANEYAMA2002][Interstitial donor codoping][Solubility][Curie temperature]
Y. Kakehashi and M. A. R. Patoary, Journal of the Physical Society of Japan, Vol. 80, No. 3, 034706(2011)[Dynamical CPA][Ferromagnetism]
N. Sakaguchi, et. al., Materials Transactions, Vol. 52, No. 3, 276(2011)[Experiment][Theory][ABINIT][EELS][Faceted CSL boundary]
S. Saito and T. Ono, Japanese Journal of Applied Physics, Vol. 50, No. 2, 021503(2011)[Real space][Structural][Compression][Expansion][Pressure]
Y. Tani, K. Sato and H. Katayama-Yoshida, Applied Physics Express 4, 021201(2011)[MACHIKANEYAMA 2002][Materials design][Negative activation energy][Transparent conducting][n-type][p-type]
T. Ono and S. Saito, Applied Physics Express 4, 021303(2011)[Real space][Dangling bond][Interface]
M. Oshitani, K. Sato and H. Katayama-Yoshida, Applied Physics Express 4, 022302(2011)[MACHIKANEYAMA 2002][Design][Self-organized spinodal nano-decomposition][High-efficiency photovoltaic solar cell][Semiconductors alloy]
M. Camarda, et. al., Applied Physics Express 4, 025802(2011)[PAW][Modification][Stacking fault]
T. Takano, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 2, 023702(2011)[Experiment][Theory][FLAPW][Doping variation][Optical][Superconductor]
N. Nagasako and T. Oguchi, Journal of the Physical Society of Japan, Vol. 80, No. 2, 024701(2011)[Stress formulation][All-electron FLAPW]
A. Nakanishi and H. Katayama-Yoshida, Journal of the Physical Society of Japan, Vol. 80, No. 2, 024706(2011)[Quantum-ESPRESSO][Pressure-induced structural transition][Enhancement of energy gap]
T. Habaguchi, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 2, 024708(2011)[WIEN2k][Superconducting transition temperature][Tomonaga-Luttinger liquid]
K. Chae, Y. Chung and H. Kim, Japanese Journal of Applied Physics, Vol. 50, No. 1, 01BE05(2011)[VASP-PAW][Ferromagnetism][Vacancy][Surface]
H. Choi, G. Yoon and Y. Chung, Japanese Journal of Applied Physics, Vol. 50, No. 1, 01BE07(2011)[VASP-PAW][Atomic-scale][Interface]
H. Choi, G. Yoon and Y. Chung, Japanese Journal of Applied Physics, Vol. 50, No. 1, 01BF03(2011)[VASP-PAW][Magnetism][Thin-film]
K. Kato, T. Iyama and H. Tachikawa, Japanese Journal of Applied Physics, Vol. 50, No. 1, 01BJ01(2011)[Gaussian03][Ab-initio MD][Interaction][Ion][Chip]
N. D. Vu, K. Sato and H. Katayama-Yoshida, Applied Physics Express 4, 015203(2011)[MACHIKANEYAMA2002][Giant Peltier effect][Self-organized][Quasi-one-dimensional][Nano structure][Alloy]
M. Tsuchiizu, et. al., Journal of the Physical Society of Japan, Vol. 80, No. 1, 013703(2011)[Molcas7][QMAS][Multi-orbital][Molecular compound][Fragment decomposition]
S. Okada, T. Kawai and K. Nakada, Journal of the Physical Society of Japan, Vol. 80, No. 1, 013709(2011)[PWPP][TBMD][Topological line defect]
T. Fukushima, K. Yamauchi and S. Picozzi, Journal of the Physical Society of Japan, Vol. 80, No. 1, 014709(2011)[VASP-PAW][Bond dimerization][Ferroelectricity][Intermediate site][Bond-centered charge ordering]
S. Nakamura, T. Maeda and T. Wada, Japanese Journal of Applied Physics, Vol. 49, No. 12, 121203(2010)[CASTEP][Phase stability][Photovoltaic]
Y. Aiura, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 12, 123702(2010){FLAPW][Enhancement of hybridization][Two- and one-dimensional bands][SOI]
K. Nakamura, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 12, 123708(2010)[TAPP][Low-dimensional physics opened up][Dimensional downfolding]
T. Miyake, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 12, 123713(2010)[QMAS][FP-LMTO][Novel superconductor]
S. Fujii, S. Ishida and S. Asano, Journal of the Physical Society of Japan, Vol. 79, No. 12, 124702(2010)[WIEN2k][High spin polarization][Ferrimagnetic half-Heusler]
Y. Jang, J. Park and B. D. Yu, Journal of the Physical Society of Japan, Vol. 79, No. 12, 124703(2010)[VASP-PAW][Transition-metal dimer][Defective][Surface]
T. Tanaka and Y. Kubo, Journal of the Physical Society of Japan, Vol. 79, No. 12, 124710(2010)[LMTO-ASA][Heavy-Fermion system][Fermi surface][dHvA]
S. Ishii, S. Iwata and K. Ohno, Materials Transactions, Vol. 51, No. 12, 2150(2010)[All-electron GW][Excitation energy]
M. Khazaei, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 11, 115103(2010)[SIESTA][Nanotube][Oscillation][Electric field]
H. K. Dipojono, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 11, 115702(2010)[VASP-PAW][Dissociation][Adsorption][Process][Surface]
S. M. Aspera, M. David and H. Kasai, Japanese Journal of Applied Physics, Vol. 49, No. 11, 115703(2010)[VASP-PAW][Adsorption]
M. Tsunoda, et. al., Applied Physics Express 3, 113003(2010)[Experiment][Theory][Anomalous anisotropic magnetoresistance][AMR][Pseudo-single crystal][Film]
H. Kageshima, et. al., Applied Physics Express 3, 115103(2010)[TAPP][Epitaxial][Island][Embedded][Surface]
M. Imada and T. Miyake, Journal of the Physical Society of Japan, Vol. 79, No. 11, 112001(2010)[Invited Review][Strongly correlated electron system]
O. Sakai, Journal of the Physical Society of Japan, Vol. 79, No. 11, 114701(2010)[LMTO][DMFT][ARPES][Magnetic excitation][Cauchy integral]
Z. Hou and K. Terakura, Journal of the Physical Society of Japan, Vol. 79, No. 11, 114704(2010)[VASP-PAW][GGA+U][Defect state][Vacancy]
T. D. Matsuda, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 11, 114712(2010)[Experiment][Theory][RSPLAPW][Fermi surface][Ferromagnet][dHvA]
T. Koyama, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 11, 114723(2010)[Experiment][Theory][FLAPW][NMR][Electron correlation][Superconductor][Specific heat]
C. Wang, et. al., Materials Transactions, Vol. 51, No. 11, 2005(2010)[AIMD][Adsorption][Surface]
Y. Tani, K. Sato and H. Katayama-Yoshida, Applied Physics Express 3, 101201(2010)[MACHIKANEYAMA2002][PSIC][Material design][Spinodal nanodecomposition][High-efficiency][Solar energy conversion]
H. Moriwake, C. A. J. Fisher and A. Kuwabara, Japanese Journal of Applied Physics, Vol. 49, No. 9, 09MC01(2010)[VASP-PAW][Solution energy][Doped]
K. Miura, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 9, 09ME07(2010)[ABINIT][Piezoelectric][VCA]
Y. Okuno and Y. Sakashita, Japanese Journal of Applied Physics, Vol. 49, No. 9, 09ME08(2010)[VASP-PAW][LDA+U][Origin of the tetragonal structure]
H. Zhang and S. Wang, J. Mater. Res., Vol. 25, No. 9, 1689(2010)[ABINIT][Structural stability][Solid-state phase transformation][Lattice vibration effect]
Y. Tomita and T. Nakayama, Applied Physics Express 3, 091601(2010)[TAPP][Metal-atom diffusion][Organic solid]
C. Wu, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 9, 093705(2010)[VASP][LCAO][Crystal-field][Strain effect][Minimum-spin-splitting surface][Bulk][Wurtzite]
K. Uchida and A. Oshiyama, Journal of the Physical Society of Japan, Vol. 79, No. 9, 093711(2010)[TAPP][Symmetry][Spin][Decavacancy]
S. Ishibashi and K. Terakura, Journal of the Physical Society of Japan, Vol. 79, No. 9, 094701(2010)[QMAS][Polarizability distribution][Superlattice]
K. Kobayashi and S. Komatsu, Materials Transactions, Vol. 51, No. 9, 1497(2010)[NCPS2K][30H][Polytype]
P. Baettig and T. Oguchi, Japanese Journal of Applied Physics, Vol. 49, No. 8, 080206(2010)[HiLAWP][Dielectric][Potential multiferroic]
T. Terashima, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 8, 083703(2010)[Experiment][Theory][KANSAI-06][TSPACE][Upper critical field][dHvA oscillation][Hybrid magnet]
Y. Gohda1 and A. Oshiyama, Journal of the Physical Society of Japan, Vol. 79, No. 8, 083705(2010)[VASP-PAW][Stabilization mechanism][Vacancy][Exchange splitting][Electron transfer]
T. Chiba1 and S. Okada, Journal of the Physical Society of Japan, Vol. 79, No. 8, 084702(2010)[TAPP][Energetics][Doped][Polymer]
E. Kioupakis, P. Rinke and C. G. Van de Walle, Applied Physics Express 3, 082101(2010)[Internal loss][Laser]
M. Otani and Susumu Okada, Journal of the Physical Society of Japan, Vol. 79, No. 7, 073701(2010)[STATE][Field-induced free-electron carriers]
S. Jeong, Journal of the Physical Society of Japan, Vol. 79, No. 7, 074603(2010)[VASP][Molecule][Surface]
Y. Uramoto and M. Saito, Journal of the Physical Society of Japan, Vol. 79, No. 7, 074605(2010)[Stability][Dynamical process][Adatom][Dimer]
Y. Ono, K. Kusakabe and T. Nakayama, Journal of the Physical Society of Japan, Vol. 79, No. 7, 074701(2010)[TAPP][Van del Waals interaction][Isolated][Plasmon-Pole approximation]
S. Suzuki and H. Ohta, Journal of the Physical Society of Japan, Vol. 79, No. 7, 074703(2010)[FFLCAO][FFMD][Magnetic moment][Dirac current]
M. Kodera, T. Shishidou1 and T. Oguchi, Journal of the Physical Society of Japan, Vol. 79, No. 7, 074713(2010)[FLAPW][Spin-polarized AM05 functional]
J. Park and B. D. Yu, Journal of the Physical Society of Japan, Vol. 79, No. 7, 074718(2010)[VASP-PAW][Dimer][Surface]
T. Takeuchi, et. al., Materials Transactions, Vol. 51, No. 6, 1127(2010)[Experiment][Theory][VASP-PAW][Thermoelectric][Alloy]
K. Nakamura, T. Toriyama and S. Sugiyama, Japanese Journal of Applied Physics, Vol. 49, No. 6, 06GH01(2010)[VASP][Thickness dependence][Piezoresistance effect][Nanosheet]
H. Choi and Y. Chung, Japanese Journal of Applied Physics, Vol. 49, No. 6, 06GH14(2010)[VASP][Shape-dependent magnetic moment][Formation energy][Heterostructure][Surface]
D. Yoo, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 6, 06GJ07(2010)[VASP][Luminescence][Doped]
S. Wang, Journal of the Physical Society of Japan, Vol. 79, No. 6, 064602(2010)[ABINIT][2D hexagonal crystal]
A. Laref and S. J. Luo, Journal of the Physical Society of Japan, Vol. 79, No. 6, 064702(2010)[LDA+U][Magnetic excitation][Phonon dispersion]
F. Zhang, et. al., J. Mater. Res., Vol. 25, No. 5, 842(2010)[Experiment][Theory][CASTEP][Photoluminescence][Activated]
T. Terashima, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 5, 053702(2010)[Experiment][Theory][KANSAI-06][TSPACE][Fermi surface][Mass enhancement][dHvA]
T. Yamamoto, et. al., Materials Transactions, Vol. 51, No. 5, 896(2010)[WIEN2k][An interpretation of Martensitic transformation]
Journal of Physics: Conference Series, Volume 215, 2010, "International Conference on High Pressure Science and Technology, Joint AIRAPT-22 & HPCJ-5026 - 31 July 2009, Tokyo, Japan", Many papers for band calculations
A. Suvitha, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 4, 04DP02(2010)[VASP][Grain boundary][Impurity][Multicrystalline]
T. Maeda and T. Wada, Japanese Journal of Applied Physics, Vol. 49, No. 4, 04DP07(2010)[Chemical bond][sX-LDA]
Y. Tsuru, et. al. Japanese Journal of Applied Physics, Vol. 49, No. 4, 045701(2010)[CASTEP][Linear thermal expansion coefficient][Small cell size][Material design]
Y. Miyamoto, Applied Physics Express 3, 047202(2010)[TDDFT][Visualizing][Electron-hole separation][Photo-excited polar crystal]
S. Ishibashi, K. Terakura1 and S. Horiuchi, Journal of the Physical Society of Japan, Vol. 79, No. 4, 043703(2010)[QMAS-PAW][Organic][Ferroelectric][Spontaneous polarization,]
T. Miyake, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 4, 044705(2010)[Low-energy model][Electron-correlation][Covalency][Downfolding][Constrained RPA method]
Y. Kurihara, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 4, 044710(2010)[Experiment][Theory][FLAPW][LDA+U][Hole-doped][XANES][Valence differential spectroscopy]
K. Yamauchi, A. Yanase and H. Harima, Journal of the Physical Society of Japan, Vol. 79, No. 4, 044717(2010)[KANSAI-99][L(S)DA+U][Fermi surface]
X. Chen, et. al., J. Mater. Res., Vol. 25, No. 1, 76(2010)[Experiment][Theory][CASTEP][Transparency][Film][Validation]
N. Kikugawa, et. al., J. Mater. Res., Vol. 25, No. 1, 177(2010)[Experiment][Theory][CASTEP][Photoinduced degradation][Organic][Illumination][White fluorescent light]
T. Akiyama, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 3, 030212 (2010)[Stability][Incorporation process][Surface][Growth condition]
Y. Yoshimoto, Journal of the Physical Society of Japan, Vol. 79, No. 3, 034602(2010)[Melting][Multicanonical ensemble][Combined]
H. Harima, K. Miyake and J. Flouquet, Journal of the Physical Society of Japan, Vol. 79, No. 3, 033705(2010)[Hidden order][Why][Simple answer]
S. Iikubo, H. Ohtani and M. Hasebe, Materials Transactions, Vol. 51, No. 3, 574(2010)[VASP][PHONON][Specific heat]
Japanese Journal of Applied Physics, Vol. 49, No. 2, "Special Issue: Carbon Nanotube Nanoelectronics", Many papers for band calculations
S. Okada, Japanese Journal of Applied Physics, Vol. 49, No. 2, 020204(2010)[Semiconducting][Adsorbed][Insulating substrate][Fragility][Linear dispersion band]
D. F. Johnson and E. A. Carter, J. Mater. Res., Vol. 25, No. 2, 315(2010)[VASP-PAW][Absorption][Diffusion][Vacancy trapping][Decohesion]
K. Toyoda, et. al., Applied Physics Express 3, 025701(2010)[STATE][Surface-band dispersion][Interface]
M. Suzuki and H. Harima, Journal of the Physical Society of Japan, Vol. 79, No. 2, 024705(2010)[FLAPW][LSDA+U][Fermi surface topology]
K. Yuge, T. Ichikawa and J. Kawai, Materials Transactions, Vol. 51, No. 2, 321(2010)[VASP-PAW][Stability][Bimetallic nanoparticle]
T. Yamashita, et. al., Japanese Journal of Applied Physics, Vol. 49, No. 1, 018001(2010)[Surface reconstruction][Semipolar]
A SPECIAL ISSUE: "Advances in Quantum Simulators and Quantum Design", Journal of Computational and Theoretical Nanoscience, Vol. 6, No. 12(December, 2009) pp. 2447 - 2711, Many papers for band calculations
Y. Kubota, et. al., Journal of the Physical Society of Japan, Vol. 79, No. 1, 014601(2010)[VASP-PAW][Quantum state][Diffusion][Atom motion]
S. Ishibashi and K. Terakura, Journal of the Physical Society of Japan, Vol. 79, No. 1, 015001(2010)[QMAS-PAW][Hydrostatic pressure]
M. Yoshiya and H. Yoshizu, Materials Transactions, Vol. 51, No. 1, 51(2010)[VASP-PAW][Local atomic configuration][Dislocation-accumlated grain boundary and energetics][Low angle][High angle]
W. Zeng, et. al., Materials Transactions, Vol. 51, No. 1, 171(2010)[CASTEP][Adsorption][Surface]
T. Yamashita, et. al., Japanese Journal of Applied Physics, Vol. 48, No. 12, 120201(2009)[Surface reconstruction][Semipolar]
T. Akiyama, et. al., Japanese Journal of Applied Physics, Vol. 48, No. 12, 120218(2009)[Adatom kinetics][Semipolar][Surface]
J. Wang, et. al., J. Mater. Res., Vol. 24, No. 12, 3523(2009)[CASTEP][Relationship][Crystal structure][Mechanical]
W. Malaeb, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 12, 123706(2009)[Experiment][Theory][WIEN2k][3D electronic structure][Superconducting][ARPES]
H. Nakamura, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 12, 123712(2009)[VASP-PAW][Anisotropy][Power and device applications]
K. Kusakabe and A. Nakanishi, Journal of the Physical Society of Japan, Vol. 78, No. 12, 124712(2009)[Quantum-ESPRESSO][Superconductivity]
T. Akiyama, et. al., Japanese Journal of Applied Physics, Vol. 48, No. 11, 110202(2009)[Stability][Incorporated][Semipolar][Surface]
H. R. Gong, C. P. Liang, and Y. H. He, Journal of the Physical Society of Japan, Vol. 78, No. 11, 113601(2009)[VASP-PAW][Fundamental influence][Cohesion][Interface]
T. Kosugi, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 11, 113704(2009)[QMAS][Superconductivity][aromatic]
Do N. Son, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 11, 114601(2009)[VASP-PAW][Reduction][Cathode][Fuel cell]
T. Liao, et. al., J. Mater. Res., Vol. 24, No. 10, 3190(2009)[CASTEP][Incorporation][Migration]
Y. Liu, et. al., J. Mater. Res., Vol. 24, No. 10, 3165(2009)[CASTEP][Structural][Mechanical][Alloy]
T. Akiyama, et. al., Japanese Journal of Applied Physics, Vol. 48, No. 10, 100201(2009)[Reconstruction][Semipolar][Surface]
A. Yasui, H. Yamagami and H. Im, Journal of the Physical Society of Japan, Vol. 78, No. 10, 104705(2009)[LAPW][Fermi surface]
H. Kino and T. Miyazaki, Journal of the Physical Society of Japan, Vol. 78, No. 10, 105001(2009)[Tilled Dirac cone][Hydrostatic pressure]
H. Moriwake, C. A. J. Fisher and A. Kuwabara, Japanese Journal of Applied Physics, Vol. 48, No. 9, 09KC03(2009)[CASTEP][Dopant]
Y. Okuno and Y. Sakashita, Japanese Journal of Applied Physics, Vol. 48, No. 9, 09KF04(2009)[PWSCF][VASP-PAW][Born effective charge][Piezoelectric coefficient]
K. Miura, M. Kubota, M. Azuma and H. Funakubo, Japanese Journal of Applied Physics, Vol. 48, No. 9, 09KF05(2009)[ABINIT][Structural]
H. Wadati, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 9, 094709(2009)[Experment][Theory][WIEN2k][Systematic analysis of ARPES spectra][Effective d band]
Y. Luo, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 9, 094715(2009)[CASTEP][Vacancy defect interaction][Zigzag single-walled][Nanotube]
M. Ichimura and Y. Nakashima, Japanese Journal of Applied Physics, Vol. 48, No. 9, 090202(2009)[PHASE]
Y. L. Du, Z. M. Sun, H. Hashimoto and W. B. Tian, Materials Transactions, Vol. 50, No. 9, 2173(2009)[WIEN2k][Thermodynamic][
Y. Takei and T. Nakayama, Japanese Journal of Applied Physics, Vol. 48, No. 8, 081001(2009)[TAPP][Schottky barrier behavior][Interface]
H. Moriwake, T. Kato, A. Kuwabara, C. A. J. Fisher, and T. Hirayama, Japanese Journal of Applied Physics, Vol. 48, No. 8, 083003(2009)[KKR-CPA][Magnetic][Alloy][Superconducting wire substrate]
Y. Bai, et. al., J. Mater. Res., Vol. 24, No. 8, 2528(2009)[Experiment][Theory][CASTEP][Rapid synthesis][Self-propagating high temperature combustion synthesis][Pseudo-hot isostatic pressing process]
F. Sen, Y. Qi and A. T. Alpas, J. Mater. Res., Vol. 24, No. 8, 2461(2009)[VASP-PAW][Surface stability][Terminated]
J. Ohe, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 8, 083703(2009)[TAPP][QMC][Dilute magnetic semiconductor]
K. Nakamura, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 8, 083710(2009}[TAPP][Low-energy model][kappa-ET type organic conductor]
I. Ishii, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 8, 084601(2009)[Experiment][Theory][FLAPW][Ultrasonic dispersion][Elastic moduli][Softening][Low temperature]
Y. Uratani, T. Shishidou and T. Oguchi, Journal of the Physical Society of Japan, Vol. 78, No. 8, 084709(2009)[FLAPW][Magnetic anisotropy][Multiferroic]
N. D. Dung, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 8, 084711(2009)[Experiment][Theory][KANSAI-04][dHvA][Fermi surface][High-quality single crystal]
K. Shirai, H. Dekura and A. Yanase, Journal of the Physical Society of Japan, Vol. 78, No. 8, 084714(2009)[Osaka2002][Electrical resistivity][High pressure]
I. Hase and T. Yanagisawa, Journal of the Physical Society of Japan, Vol. 78, No. 8, 084724(2009)[KANSAI-94][Superconductivity][Non-centrosymmetry][SOI]
E. Okuno, et. al., Applied Physics Express 2, 085503(2009)[Phase][Dangling-bond free][Interface]
Y. Medkour, et. al., Solid State Communications 149, 919(2009)[CASTEP][Structural][Elastic][Antiperovskite]
A. Maignan, et. al., Solid State Communications 149, 962(2009)[ASW][Strong impact][Doping][Triangular antiferromagnet]
Z. Li, Y. Zhang and C. Peng, Solid State Communications 149, 952(2009)[VASP-PAW][Ground state][Phase stability][Mechanical]
M. Rabah, et. al., Solid State Communications 149, 941(2009)[FP-LMTO][Mecahnical stability][High pressure]
J. Chen, et. al., J. Mater. Res., Vol. 24, No. 7, 2361(2009)[Experiment][Theory][VASP][Structural][Elastic]
A. Koga, S. Ohmura and F. Shimojo, Journal of the Physical Society of Japan, Vol. 78, No. 7, 074601(2009)[PAW][Intermolecular correlation][Liquid]
C. Meingast, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 7, 074706(2009)[Experiment][Theory][LDA][Phonon][High-resolution adiabatic measurement]
S. Suzuki, T. Ariizumi and M. Li, Journal of the Physical Society of Japan, Vol. 78, No. 7, 074715(2009)[FFLCAO][Mulliken population][XMCD][Sum rule]
K. Nakamura, Y. Isono, T. Toriyama and S. Sugiyama, Jpn. J. Appl. Phys. 48, 06FG09(2009)[VASP][FHI98md][Orientation dependence][Piezoresistance][Nanowire]
L. Koci, A. B. Belonoshko and R. Ahuja, High Temperatures-High Pressures, Vol. 38, 37(2009)[VASP-PAW][Extreme high condition][hcp and bcc]
S. Kasamatsu, T. Tada and S. Watanabe, Applied Physics Express 2, 061402(2009)[SIESTA][CI-NEB][Charged][Neutral][Vacancy]
H. Kageshima, H. Hibino, M. Nagase and H. Yamaguchi, Applied Physics Express 2, 065502(2009)[TAPP][Epitaxial][Growth][Surface]
M. C. S. Escano, H. Nakanishi and H. Kasai, Journal of the Physical Society of Japan, Vol. 78, No. 6, 064603(2009)[VASP-PAW][Ferromagnetic substrate][Reactivity][Overlayer][Surface]
H. Kizaki, et. al., Applied Physics Express 2, 053004(2009)[MACHIKANEYAMA2002][SIC-LDA][Spin state][Vacancy]
C. L. Chen, W. Lu, L. L. He and H. Q. Ye, J. Mater. Res., Vol. 24, No. 5, 1662(2009)[CASTEP][Deformation-induced phase transformation][Intermetallic]
I. V. Solovyev, Journal of the Physical Society of Japan, Vol. 78, No. 5, 054710(2009)[LMTO][Long-range magnetic interaction][Lattice distortion][Origin of the E-type antiferromagnetic phase][Undoped]
"Nano-Materials Science for Atomic Scale Modificatio", Materials Transactions, Vol. 50, No. 5 (2009), Many papers for band calculations
Z. L. Zhang, et. al., J. Mater. Res., Vol. 24, No. 4, 1335(2009)[VASP-PAW][Structural][Energetic]
M. Miyata, S. Hattori and Y. Hayafuji, Japanese Journal of Applied Physics, Vol. 48, No. 4, 041301(2009)[VASP][DVXa][4H][Possible p-type doping]
Y. Hoshina, K. Iwasaki, A. Yamada and M. Konagai, Japanese Journal of Applied Physics, Vol. 48, No. 4, 04C125(2009)[ABINIT][Indirect-to-direct band gap transition][Tensile strain]
T. Kawagoe, M. Geshi, T. Miyamachi and S. Suga, Applied Physics Express 2, 043001(2009)[Experiment][Theory][WIEN2k][Spin-polarized surface state][Metastable]
T. Oguchi, Journal of the Physical Society of Japan, Vol. 78, No. 4, 044702(2009)[WIEN2k][SO effect][Orbital hybridization][Fermi surface]
K. Kobayashi and S. Komatsu, Journal of the Physical Society of Japan, Vol. 78, No. 4, 044706(2009)[Polytype][10H][NCPS2K]
K. Watanabe and Y. Ishii, Z. Kristallogr. 223, 739(2008)[WIEN2k][Effective valence]
T. Hatakeyama, K. Nozawa and Y. Ishii, Z. Kristallogr. 223, 830(2008)[VASP][Orientational ordering]
A. Bouhemadou, High Pressure Research, Vol. 28, No. 1, 45(2008)[CASTEP][Structural][Elastic][Pressure effect]
High Pressure Research, Vol. 28, No. 4, "Special Issue: Proceedings of the XLVIth European High Pressure Research Group (EHPRG 46) Meeting, Valentin (Spain), 7-12 September 2008, Guest Editors: A. Segura, et. al., Many papers for band calculations
X. Che, J. Li, Ye Dai and B. Liu, Journal of the Physical Society of Japan, Vol. 78, No. 3, 034720(2009)[VASP-PAW][Structural stability][Magnetism][Matastable][Binary]
B. K. Agrawal, A. Pathak and S. Agrawal, Journal of the Physical Society of Japan, Vol. 78, No. 3, 034721(2009)[ABINIT][Metallic][Semiconducting][Nanowire]
K. D. Joshi, S. C. Gupta and S. Banerjee, Philosophical Magazine, Vol. 88, No. 27, 3145(2008)[WIEN97][Thermal expansivity][Thermal vibration][Melting]
Special issue: Proceedings of the 2nd International Conference on Quantum Simulators and Design, Journal of Physics: Condensed Matter (Guest Editors: H. Akai and S. Tsuneyuki), Vol. 21, No. 6, Many papers for band calculations
V. A. Yartys, et. al., Z. Kristallogr. 223, 674(2008)[VASP][Crystal chemistry][Anisotropic][Interstitial][Intermetallics]
SPECIAL SECTION CONTAINING PAPERS FROM THE PROCEEDINGS OF "THE FIRST INTERNATIONAL WORKSHOP ON THE THEORETICAL CALCULATION OF ELNES AND XANES (TEX2008)", Journal Physics: Condensed Matter, Vol. 21, No. 10, Many papers for band calculations (TEX2008)
M. Oshita, S. Yotsuhashi, H. Adachi and H. Akai, Journal of the Physical Society of Japan, Vol. 78, No. 2, 024708(2009)[KKR-CPA][WIEN2k][Seebeck coefficient][Kubo-Greenwood formula]
Y. Otsuka and M. Tsukada, Journal of the Physical Society of Japan, Vol. 78, No. 2, 024713(2009)[TAPP][Crystal structure][Energy band][Derivative]
T. Liao, J. Wang and Y. Zhou, J. Mater. Res., Vol. 24, No. 2, 556(2009)[CASTEP][WIEN2k][TB-LMTO-ASA47][COHP][Chamical bonding][Mechanical][Ceramics]
C. Oritz, O. Eriksson and M. Klintenberg, Computational Materials Science, Vol. 44, 1042(2009)[ESP][Data mining][Accelerated][Tool][Search for new functional materials].
W. Zhu, et. al., Phys. Chem. Chem. Phys., 10, 7318(2008)[CASTEP][Hydrostatic compression][Crystalline]
T. Quang, et. al., Journal of the Physical Society of Japan, Vol. 78, No. 1, 014706(2009)[VASP-PAW][Adsorption][Various][Tape]
Philosophical Magazine, Vol. 88, Nos. 18-20 (2008), Special Issue: International Conference on Computational Materials Science, Many papers for band calculations
W. Sangthong, et. al., J. Mater. Chem., 18, 5871(2008)[VASP][Stable][Nanoporous][Polymorph][Bottom-up study]
Y. Yanagi, Y. Yamakawa and Y. Ono, Journal of the Physical Society of Japan, Vol. 77, No. 12, 123701(2008)[WIEN2k][Magnetism][Superconductivity][2D 16-band d-p model]
T. Miyazaki, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 12, 123706(2008)[CONQUEST][O(N)][Energetics][Hut-cluster self-assembly][Linear-scaling DFT][Surface]
W. Luo, et. al., Phys. Chem. Chem. Phys., 10, 6717(2008)[Experiment][Theory][CASTEP][Correlation][Band position][Solid solution][Photocatalytic][Visible light irradiation]
Y. Wu, J. Kang and F. Liu, J. Mater. Res., Vol. 23, No. 12, 3347(2008)[VASP][Pressure induced wurtzite-to-zinc blende phase transition][Finite temperature]
D. Costa, et. al., Phys. Chem. Chem. Phys., 10, 6360(2008)[VASP-PAW][Adsorption][Microsolvated][Amorphous][Surface]
T. Suzuki, Phys. Chem. Chem. Phys., 10, 96(2008)[CPMD][Local configuration]
S. Zh. Karazhanov, et. al., Philosophical Magazine, Vol. 88, No. 16, 2461(2008)[VASP-PAW][Semiconductor electronics]
T. Hitosugi, et. al., Applied Physics Express 1, 111203(2008)[VASP][Transparent conductor][Doped]
M. Miyata and Y. Hayafuji, Applied Physics Express 1, 111401(2008)[VASP][DV-Xa][Acceptor-donor complexes]
H. Sugawara, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 11, 113711(2008)[Experiment][Theory][LAPW][dHvA][2D cylindrical Fermi surface]
A. Y. Morozov, et. al., Philosophical Magazine, Vol. 88, Nos. 13-15, 2237(2008)[CPMD][Correlation][Charge state][Diffusion][Quasicrystal]
A. V. Godonyuk, E. I. Isaev and Y. K. Vekilov, Philosophical Magazine, Vol. 88, Nos. 13-15, 2191(2008)[PAW][Local environment][Magnetism][Icosahedral quasicrystal]
E. A. Juarez-Arellano, et. al., Z. Kristallogr. 223, 492(2008)[Experiment][Theory][CASTEP][Reaction][High pressure][Temperature]
V. Jorik, E. Scholtzova and P. Segla, Z. Kristallogr. 223, 524(2008)[Experiment][Theory][VASP][Powder diffraction][Complex]
Ye Xu, et. al., Phys. Chem. Chem. Phys., 10, 6009(2008)[VASP][Cluster size][Intermediate][Energetics]
T. Roman, H. Nakanishi and H. Kasai, Phys. Chem. Chem. Phys., 10, 6052(2008)[VASP][Coadsorbed][Interaction][Surface]
H. Kizaki, et. al., Applied Physics Express 1, 104001(2008)[MACHIKANEYAMA2002][Nano-catalyst particle][Spinodal nano-decomposition]
G. Orudzhev, et. al., Japanese Journal of Applied Physics, Vol. 47, No. 10, 8193(2008)[ABINIT][Phonon spectra][Chain]
G. Orudzhev, et. al., Japanese Journal of Applied Physics, Vol. 47, No. 10, 8182(2008)[Experiment][Theory][WIEN2k][Dielectric function][Layered]
A. Ramasubramaniam, et. al., J. Mater. Res., Vol. 23, No. 10, 2757(2008)[VASP-PAW][CI-NEB][Atomic scale plasticity][Diffusion][Quantum mechanically][On-the-fly KMC]
S. E. Ashbrook, et. al., Phys. Chem. Chem. Phys., 10, 5754(2008)[Experiment][Theory][CASTEP][GIPAW][High-resolution][NMR assignment]
C. Loschen, et. al., Phys. Chem. Chem. Phys., 10, 5730(2008)[VASP-PAW][LDA+U][Nanoparticle]
S. Ohno, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 10, 104713(2008)[TAPP][Magnetism][Single-walled][Nanotube][Nanowire]
A. Nakanishi, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 10, 104712(2008)[Quantum-ESPRESSO][Theoretical evidences][Enhanced superconducting transition temperature][High-pressure][Phase]
S. Ishibashi and K. Terakura, Journal of the Physical Society of Japan, Vol. 77, No. 10, 104706(2008)[QMAS][PAW][Screening mechanism][Polar discontinuity][Thin film]
T. Fukuda, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 10, 103715(2008)[Experiment][Theory][VASP-PAW][Lattice dynamics][Inelastic X-ray scattering]
Y. Uratani, T. Shishidou and T. Oguchi, Japanese Journal of Applied Physics, Vol. 47, No. 9, 7735(2008)[FLAPW][Lead-free][Piezoelectric]
T. Akiyama, et. al., Japanese Journal of Applied Physics, Vol. 47, No. 9, 7089(2008)[TAPP][Stress dependence][Reaction][Interface][Thermal oxidation]
S. U. Lee, et. al., Phys. Chem. Chem. Phys., 10, 5225(2008)[VASP][Gaussian03][Electron transport][Nanotube][Intramolecular heterojunction][Peptide linkage]
T. R. Munter, et. al., Phys. Chem. Chem. Phys., 10, 5202(2008)[DACAPO][BEP relation][Dissociation][Over stepped][Alloy surface]
Y, Kakehashi, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 9, 094706(2008)[Dynamical CPA][TB-LMTO][Correlated electron system]
N. D. Dung, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 9, 094702(2008)[Experiment][Theory][KANSAI-04][TSPACE][dHvA oscillation][Fermi surface]
K. Nakamura, R. Arita and M. Imada, Journal of the Physical Society of Japan, Vol. 77, No. 9, 093711(2008)[TAPP][Downfolding][cRPA][Effective Hamiltonian]
W. Lu, et. al., J. Mater. Res., Vol. 23, No. 9, 2350(2008)[WIEN2k][Chemical bonding]
N. Sakaguchi, et. al., Philosophical Magazine, Vol. 88, No. 10, 1493(2008)[Experiment][Theory][ABINIT][PAW][HRTEM][EELS][Polar interface]
E. A. Kotomin, et. al., Phys. Chem. Chem. Phys., 10, 4644(2008)[VASP-PAW][Adsorption][Molecular][Surface][Thermodynamics]
P. J. Feibelman, Phys. Chem. Chem. Phys., 10, 4688(2008)[VASP-PAW][Lattice match]
S. B. Rempe, T. R. Mattsson and K. Leung, Phys. Chem. Chem. Phys., 10, 4685(2008)[AIMD][VASP]["The complete basis set limit"]
E. Keller and C. Röhr, Z. Kristallogr. 223, 431(2008)[Experiment][Theory][WIEN2k][Structural changes][Isotypic series]
T. Hashi, Y. Uramoto and M. Saito, Japanese Journal of Applied Physics, Vol. 47, No. 8, 6623(2008)[PHASE][Adatom][Aggregation]
H. Kizaki, K. Sato and H. Katayama-Yoshida, Japanese Journal of Applied Physics, Vol. 47, No. 8, 6488(2008)[MACHIKANEYAMA2002][Materials design][Dilute Magnetic semiconductor][Monte Carlo]
C. Nonnenberg and I. Frank, Phys. Chem. Chem. Phys., 10, 4383(2008)[Gaussian03][CPMD][Formation][Decay][Derivative]
K. Kobayashi and S. Komatsu, Journal of the Physical Society of Japan, Vol. 77, No. 8, 084703(2008)[Polytype][NCPS2K]
S. Watanabe and K. Ogasawara, Journal of the Physical Society of Japan, Vol. 77, No. 8, 084702(2008)[Experiment][Theory][CASTEP][CI][LCAO][4f-5d absorption spectrum][Lattice relaxation]
M. K. Agusta, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 8, 084601(2008)[VASP][Reaction][Surface][Formation]
D. Nachtigallova, et. al., Phys. Chem. Chem. Phys., 10, 4189(2008)[VASP-PAW][Interaction][Adsorption mode][Vibration dynamics][Channel][Cavity]
A. H. Reshak, S. Auluck and I. Kityk, Japanese Journal of Applied Physics, Vol. 47, No. 7, 5516(2008)[WIEN2k][Optical][Ruddlesden-Popper homologous series]
S. Fujii, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 7, 074702(2008)[LMTO-ASA][WIEN2k][High spin polarization][Ferrimagnetic Heusler-type alloy]
S. Suzuki, M. Li and T. Ariizumi, Journal of the Physical Society of Japan, Vol. 77, No. 7, 074703(2008)[FFLCAO][FFMB][EFG][XMCD][Structural][Magnetic][Optical][Magneto-optical]
PCCP, Vol. 10, No. 25, 7 July (2008), Many papers for band calculations
B. Wang, et. al., Phys. Chem. Chem. Phys., 10, 3530(2008)[VASP-PAW][Chemical origin][Moire overlayer][Surface]
V. L. Vinograd, et. al., Phys. Chem. Chem. Phys., 10, 3509(2008)[CASTEP][Subsolidus phase relation][Solid solution][Predicted][Static latticeenergy calculation][MC]
F. Okuno, et. al., Applied Physics Express 1, 061401(2008)[PHASE][Interfacial electronic state]
R. Kobayashi and T. Nakayama, Japanese Journal of Applied Physics, Vol. 47, No. 6, 4417(2008)[TAPP][Stair-rod dislocation]
K. Nakamura, Y. Isono and T. Toriyama, Japanese Journal of Applied Physics, Vol. 47, No. 6, 5132(2008)[VASP][FHI98md][Piezoresistence effect][Nanowire]
H. Choi, S. Yi and Y. Chung, Japanese Journal of Applied Physics, Vol. 47, No. 6, 5076(2008)[VASP-PAW][Atomic surface diffusion]
H. Park, S. Yi and Y. Chung, Japanese Journal of Applied Physics, Vol. 47, No. 6, 5062(2008)[VASP-PAW][Doped][Nanotube][Strain]
N. D. Dung, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 6, 064708(2008)[Experiment][Theory][KANSAI-04][TSPACE][Single crystal growth][dHvA][Quasi-2D electronic state]
A. Yamane, F. Shimojo and K. Hoshino, Journal of the Physical Society of Japan, Vol. 77, No. 6, 064603(2008)[PAW][Inner-core 2p state][Melting curve][Dense][High pressure]
S. Sartori, et. al., J. Mater. Chem., 18, 2361(2008)[Experiment][Theory][VASP-PAW][Isomorph]
B. Liou, Japanese Journal of Applied Physics, Vol. 47, No. 5, 3350(2008)[CASTEP][Lattice constant][Bulk modulus]
H. Tanei, et. al., Japanese Journal of Applied Physics, Vol. 47, No. 5, 3847(2008)[Experiment][Theory][VASP][Elastic constant][Superlattice][Acoustic measurement]
I. Milas, B. Hinnenmann and E. A. Carter, J. Mater. Res., Vol. 23, No. 5, 1494(2008)[VASP-PAW][Ion segregation][Grain boundary][Growth][Creep]
G. Ghosh, J. Mater. Res., Vol. 23, No. 5, 1398(2008)[VASP][Phase stability][Cohesive][Intermetallics]
T. Kouno and S. Ogata, Journal of the Physical Society of Japan, Vol. 77, No. 5, 054708(2008)[QM-CL][Real-space][Hybrid][NEB][Activation energy][Diffusion][Strained]
M. Onoue, F. Ishii and T. Oguchi, Journal of the Physical Society of Japan, Vol. 77, No. 5, 054706(2008)[FLAPW][Half-Heusler][Seebeck coefficient][Thermoelectric][Intermetallic]
S. Takagi, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 5, 054705(2008)[PHASE][ADF][Electron transfer][Dissociative adsorption][Surface]
S. Ishibashi, K. Terakura and H. Hosono, Journal of the Physical Society of Japan, Vol. 77, No. 5, 053709(2008)[QMAS][PAW][Possible ground state][Mother material][New superconductor]
E. R. Hernandez and E. Canadell, J. Mater. Chem., 18, 2090(2009)[VASP-PAW][Marcasite vs. arsenopyrite][Structural choice]
K. Kasai, et. al., Japanese Journal of Applied Physics, Vol. 47, No. 4, 2317(2008)[VASP][Magnetic][Metal-filled][Single-walled][Nanotube]
A. Nakamoto, et. al., Japanese Journal of Applied Physics, Vol. 47, No. 4, 2213(2008)[Two-component DF][Positron lifetime][Band-gap]
S. Köppen and W. Langel, Phys. Chem. Chem. Phys., 10, 1907(2008)[CPMD][Adsorption][Surface]
G. Barcaro, A. Fortunelli and G. Granozzi, Phys. Chem. Chem. Phys., 10, 1876(2008)[PWSCF][Adsorption][Polar ultrathin film]
W. Lai, W. Huang and D. Xie, Phys. Chem. Chem. Phys., 10, 1669(2008)[VASP-PAW][Adsorption][Surface]
K. J. Franke, et. al., Phys. Chem. Chem. Phys., 10, 1640(2008)[Experiment][Theory][DACAPO][Adsorption][Surface][STM]
Q. Li, et. al., Philosophical Magazine Letters, Vol. 88, No. 3, 231(2008)[Experiment][Theory][Enhanced visible-light absorption][Heavily][Doped]
H. Wu, et. al., Philosophical Magazine Letters, Vol. 88, No. 3, 181(2008)[ABINIT][Elastic][High-pressure][Rock-salt phase]
M. Takahashi, J. Igarashi and T. Nomura, Journal of the Physical Society of Japan, Vol. 77, No. 3, 034711(2008)[XES][TB][KKR][Incident-phonon-energy][Polarization dependent][RIXS]
E. Ertekin, M. S. Daw and D. C. Chrzan, Philosophical Magazine Letters, Vol. 88, o. 2, 159(2008)[VASP][Elasticity theory][Topological defect][Nanotube]
M. Otani, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 2, 024802(2008)[STATE][ESM-FPMD][Electrode dynamics]
T. D. Matsuda, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 2, 024704(2008)[Experiment][Theory][KANSAI-04][Single crystal growth][Fermi surface]
S. Ishibashi, K. Terakura and A. Kobayashi, Journal of the Physical Society of Japan, Vol. 77, No. 2, 024702(2008)[QMAS][PAW][Single component molecular metal]
Z. R. Xiao, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 2, 023706(2008)[WIEN2k][Vacancy induced ferromagnetism]
Y. Yuan, et. al., Solid State Ionics 178, 1711(2008)[Experimental][Theory][CASTEP][Novel photocatalyst][4f electronic configuration][Splitting]
S. Yabuuchi, E. Ohta and H. Kageshima, Japanese Journal of Applied Physics, ol. 47, No. 1, 26(2008)[TAPP][Uniaxial strain effect]
H. Chappell, et. al., Phys. Chem. Chem. Phys., 10, 600(2008)[CASTEP][Probing][Surface][NMR spectroscopy]
J. Rossmeisl and W. G. Bessler, Solid State Ionics 178, 1694(2008)[ASE][Catalytic activity][Anode]
M. E. Björketun, et. al., Solid State Ionics 178, 1642(2008)[VASP][Defect][Pure][Doped]
J. C. Crowhurst, et. al., J. Mater. Res., Vol. 23, No. 1(2008)[Experiment][Theory][VASP-PAW][Synthesis][Characterization]
K. Maiti, et. al., Phys. Rev. Lett., Vol. 99, No. 26, 266401(2007)[Experiment][Theory][WIEN2k][Revelation][Impurity][Conduction electron density][High resolution photoemission][Ferromagnetic]
L. H. Yu, et. al., Journal of Physics and Chemistry of Solids 68, 2411(2007)[WIEN2k][Molecular-based antiferromagnet]
L. Kalarasse, et. al., Journal of Physics and Chemistry of Solids 68, 2286(2007)[WIEN2k][Pressure effect][Optical][Filled tetrahedral semiconductor]
V. An Dinh, K. Sato and H. Katayama-Yoshida, Journal of the Physical Society of Japan, Vol. 77, No. 1, 014705(2008)[STATE-Senri][AkaiKKR][New high-Tc half-Heusler ferromagnet]
S. Yaginuma, et. al., Journal of the Physical Society of Japan, Vol. 77, No. 1, 014701(2008)[Experiment][Theory][FLEUR][Ultrathin][Film]

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