SCOPUS 정보 검색 플랫폼

Computational Materials Science

Volumn 50, Issue 3, 2011, Pages 1037-1042

First-principles study of the electronic, optical and bonding properties in dolomite

(5) Hossain, F M a,b Dlugogorski, B Z a Kennedy, E M a Belova, I V a Murch, G E a

a UNIVERSITY OF NEWCASTLE (Australia)

b UNIVERSITY OF MELBOURNE (Australia)

Author keywords

Atomic bonding; Dolomite; Electronic structure; Optical properties

Indexed keywords

ATOMIC BONDING; BAND GAPS; BONDING PROPERTY; CHEMICAL BONDINGS; DOLOMITE; ELECTRONIC BAND GAPS; EXCHANGE-CORRELATION ENERGY FUNCTIONALS; FIRST-PRINCIPLES STUDY; FUNDAMENTAL ABSORPTION EDGE; GENERALIZED GRADIENT APPROXIMATIONS; IONIC BONDING; OPTICAL SPECTRA; PLANE WAVE; PSEUDOPOTENTIALS; THEORETICAL CALCULATIONS; THEORETICAL RESULT; TRANSITION PEAKS; TYPE STRUCTURES;

CALCITE; CARBONATE MINERALS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL BAND GAPS; POPULATION STATISTICS; STRUCTURAL PROPERTIES;

OPTICAL PROPERTIES;

EID: 78650683671 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2010.10.044 Document Type: Article

Times cited : (39)

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