Density-functional calculations of defect formation energies using supercell methods: Defects in diamond

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 3, 2005, Pages

  Shim, Jihye ^a   Lee, Eok Kyun ^a   Lee, Y J ^b   Nieminen, R M ^b  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^b AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

DIAMOND;

ARTICLE; CALCULATION; CELL SIZE; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ELECTRON; ENERGY; GAS; IONIZATION; MATHEMATICAL ANALYSIS; SCREENING; THERMODYNAMICS;

EID: 15444365056     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.035206     Document Type: Article

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