Treatment of layered structures using a semilocal meta-GGA density functional

Journal of Physical Chemistry Letters

Volumn 1, Issue 2, 2010, Pages 515-519

  Madsen, Georg K H ^a,b   Ferrighi, Lara ^b   Hammer, Bjørk ^b  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b AARHUS UNIVERSITY   (Denmark)

Author keywords

Electron transport; Hard matter; Optical and electronic devices

Indexed keywords

COVALENT INTERACTIONS; COVALENTLY BONDED; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; DISPERSIVE INTERACTIONS; ELECTRON TRANSPORT; ELECTRONIC DEVICE; GENERALIZED GRADIENT APPROXIMATIONS; KINETIC ENERGY DENSITY; LAYERED SOLIDS; LAYERED STRUCTURES; LOCAL DENSITY; META-GENERALIZED GRADIENT APPROXIMATIONS;

ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; KINETIC ENERGY; STRONTIUM COMPOUNDS; THERMOELECTRIC EQUIPMENT;

DENSITY FUNCTIONAL THEORY;

EID: 77349092069     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz9002422     Document Type: Article

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