First-principles investigation density of states for LiNi 1-xCoxO2 with x=0, 1/3, 2/3 and 1

Advanced Materials Research

Volumn 239-242, Issue , 2011, Pages 1862-1865

  Gu, Yijie ^a,b   Chen, Yunbo ^c   Liu, Hongquan ^a   Wu, Huikang ^a   Huang, Xiaowen ^a   Lu, Hong ^a   Hu, Yong ^a   Guo, Zhen ^a  

^a SHANDONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c ADVANCED MANUFACTURE TECHNOLOGY CENTER   (China)

Author keywords

First Principles; LiNi1 xCoxO2; The crystal field splitting; The density functional theory; The exchange splitting

Indexed keywords

FIRST-PRINCIPLES; LINI1-XCOXO2; THE CRYSTAL FIELD SPLITTING; THE DENSITY FUNCTIONAL THEORY; THE EXCHANGE SPLITTING;

CALCULATIONS; CHEMICAL COMPOUNDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; IONS; PRASEODYMIUM COMPOUNDS;

COBALT;

EID: 79957818861     PISSN: 10226680     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/AMR.239-242.1862     Document Type: Conference Paper

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