@article{CTT100742313, author = {Y. Hinuma and F. Oba and Y. Kumagai and I. Tanaka}, title = {Ionization potentials of (112) and (11-2) facet surfaces of CuInSe2 and CuGaSe2}, journal = {Physical Review B}, year = 2012, } @article{CTT100742311, author = {H. Hayashi and R. Huang and F. Oba and T. Hirayama and I. Tanaka}, title = {Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure}, journal = {Applied Physics Letters}, year = 2012, } @article{CTT100742490, author = {J. M. Polfus and K. Toyoura and F. Oba and I. Tanaka and R. Haugsrud}, title = {Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space-charge theory}, journal = {Physical Chemistry Chemical Physics}, year = 2012, } @article{CTT100742500, author = {H. Akamatsu and K. Fujita and H. Hayashi and T. Kawamoto and Y. Kumagai and Y. Zong and K. Iwata and F. Oba and I. Tanaka and K. Tanaka}, title = {Crystal and electronic structure and magnetic properties of divalent europium perovskite oxides EuMO3 (M = Ti, Zr, and Hf): Experimental and first-principles approaches}, journal = {Inorganic Chemistry}, year = 2012, } @article{CTT100742314, author = {Y. Kumagai and Y. Soda and F. Oba and A. Seko and I. Tanaka}, title = {First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2 and CuInSe2-CuAlSe2 pseudobinary systems}, journal = {Physical Review B}, year = 2012, } @article{CTT100742489, author = {Y. Kumagai and A. Seko and F. Oba and I. Tanaka}, title = {Ground-state search in multicomponent magnetic systems}, journal = {Physical Review B}, year = 2012, }