Finite-size scaling as a cure for supercell approximation errors in calculations of neutral native defects in InP

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 19, 2004, Pages 1-13

  Castleton, C W M ^a,b   Mirbt, S ^c  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b MID SWEDEN UNIVERSITY   (Sweden)

^c UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ANALYTICAL ERROR; ARTICLE; ATOM; DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRIC ACTIVITY; ENERGY YIELD; FINITE ELEMENT ANALYSIS; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SEMICONDUCTOR; STRUCTURE ANALYSIS;

EID: 12444300094     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.195202     Document Type: Article

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