@article{CTT100760288, author = {K. Toyoura and Y. Koyama and A. Kuwabara and F. Oba and I. Tanaka}, title = {First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound}, journal = {Physical Review B}, year = 2008, } @article{CTT100760287, author = {Atsushi Togo and Fumiyasu Oba and Isao Tanaka}, title = {First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures}, journal = {Physical Review B}, year = 2008, } @article{CTT100743640, author = {M. Choi and F. Oba and I. Tanaka}, title = {First-principles study of native defects and lanthanum impurities in NaTaO3}, journal = {PHYSICAL REVIEW B}, year = 2008, } @article{CTT100743637, author = {F. Oba and A. Togo and I. Tanaka and J. Paier and G. Kresse}, title = {Defect energetics in ZnO: A hybrid Hartree-Fock density functional study}, journal = {PHYSICAL REVIEW B}, year = 2008, } @article{CTT100743638, author = {A. Togo and F. Oba and I. Tanaka}, title = {Transition pathway of CO2 crystals under high pressures}, journal = {PHYSICAL REVIEW B}, year = 2008, } @article{CTT100743641, author = {Y. Kumagai and H. Ikeno and F. Oba and K. Matsunaga and I. Tanaka}, title = {Effects of crystal structure on Co-L2,3 x-ray absorption near-edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides}, journal = {PHYSICAL REVIEW B}, year = 2008, } @article{CTT100760286, author = {K. Yuge and A. Seko and Y. Koyama and F. Oba and I. Tanaka}, title = {First-principles-based phase diagram of the cubic BNC ternary system}, journal = {Physical Review B}, year = 2008, } @article{CTT100743639, author = {Atsuto Seko and Atsushi Togo and Fumiyasu Oba and Isao Tanaka}, title = {Structure and stability of homologous series of tin oxides}, journal = {PHYSICAL REVIEW LETTERS}, year = 2008, } @article{CTT100760292, author = {I. Tanaka and Fumiyasu Oba}, title = {First principles calculations for modern ceramic science and engineering}, journal = {Journal of Physics: Condensed Matter}, year = 2008, }