First-principles investigation of the electronic structure and magnetism of eskolaite

Chinese Physics B

Volumn 18, Issue 6, 2009, Pages 2551-2556

  Jing Qin, Shen ^a,c   Si Qi, Shi ^a,b   Chu Ying, Ouyang ^c   Min Sheng, Lei ^c   Wei Hua, Tang ^a  

^a ZHEJIANG SCI TECH UNIVERSITY   (China)

^b SHANGHAI INSTITUTE OF CERAMICS   (China)

^c JIANGXI NORMAL UNIVERSITY   (China)

Author keywords

Electronic structure; First principles calculations; Magnetism; Transition metal oxide

Indexed keywords

BAND GAPS; CLUSTER APPROXIMATION; DENSITY OF STATE; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES INVESTIGATIONS; HEISENBERG; HUBBARD; LATTICE PARAMETERS; LOCAL MAGNETIC MOMENTS; LSDA + U; MAGNETIC CONFIGURATION; NEAREST NEIGHBOUR; TRANSITION-METAL OXIDE;

ELECTRONIC PROPERTIES; ENERGY GAP; LITHIUM BATTERIES; MAGNETIC MOMENTS; METALLIC COMPOUNDS; METHOD OF MOMENTS; NEON; SOLID STATE PHYSICS; TRANSITION METALS;

ELECTRONIC STRUCTURE;

EID: 67650757755     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/6/072     Document Type: Article

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