Spin-orbit and modified Becke-Johnson potential effects on the electronic properties of bulk Ge: A density functional theory study

Computational Materials Science

Volumn 54, Issue 1, 2012, Pages 37-42

  Smith, P V ^a   Hermanowicz, M ^b   Shah, G A ^a   Radny, M W ^a,b  

^a UNIVERSITY OF NEWCASTLE   (Australia)

^b POZNAN UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Density functional theory; Electronic structure; Exchange correlation potential; Spin orbit interactions; Tran Blaha

Indexed keywords

A-DENSITY; EXCHANGE POTENTIALS; EXCHANGE-CORRELATION POTENTIAL; EXPERIMENTAL DATA; GRADIENT APPROXIMATION; NANO-STRUCTURED; PLANE WAVE; POTENTIAL EFFECTS; PSEUDOPOTENTIALS; QUASI PARTICLES; SPIN ORBIT INTERACTIONS; SPIN ORBITS; TRAN-BLAHA;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LOCAL DENSITY APPROXIMATION; TIME VARYING SYSTEMS;

GERMANIUM;

EID: 83055163659     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.09.037     Document Type: Article

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