Vacancy Defects in Delafossite CuAlO2: First-Principles Calculations

Zhong, M; Liu, QJ; Jiao, Z; Liu, FS; Liu, ZT

Liu, QJ (reprint author), Southwest Jiaotong Univ, Sch Phys Sci & Technol, Minist Educ China, Key Lab Adv Technol Mat, Chengdu 610031, Peoples R China.; Liu, QJ (reprint author), Southwest Jiaotong Univ, Bond & Band Engn Grp, Sichuan Prov Key Lab Univ Hig

MOSCOW UNIVERSITY PHYSICS BULLETIN, 2017; 72 (2): 191

Abstract

Electronic properties and formation energies of vacancy defects in delafossite CuAlO2 have been investigated by using the first-principles density fun......

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