Tuning band gap energies in Pb 3(C 6X 6) extended solid-state structures

Journal of Physical Chemistry C

Volumn 116, Issue 15, 2012, Pages 8370-8378

  Stott, Amanda C ^a   Vaid, Thomas P ^a   Bylaska, Eric J ^b   Dixon, David A ^a  

^a UNIVERSITY OF ALABAMA   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND ENERGY; BAND GAP ENERGY; BOND DISTANCE; DENSITIES OF STATE; EXCHANGE-CORRELATION FUNCTIONALS; FIRST BRILLOUIN ZONE; FUNCTIONALS; GEOMETRY PARAMETER; GROUND STATE GEOMETRY; HIGH SYMMETRY; INDIRECT BAND GAP; METALLIC BEHAVIORS; MOLECULAR FRAGMENTS; ORBITAL CHARACTER; PARTIAL DENSITY OF STATE; PLANE WAVE DENSITY FUNCTIONAL THEORY; SOLID-STATE PROPERTIES; SOLID-STATE STRUCTURES; SPACE GROUPS; TWO-POINT;

C (PROGRAMMING LANGUAGE); CRYSTAL SYMMETRY; LEAD; ORGANOMETALLICS;

ENERGY GAP;

EID: 84860195446     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp211967u     Document Type: Article

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