Dynamic charge-transfer bond-order potential for gallium nitride

Philosophical Magazine

Volumn 89, Issue 34-36, 2009, Pages 3477-3497

  Albe, Karsten ^a   Nord, J ^b   Nordlund, K ^b  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Computer simulation; Interatomic potential; Ionic compounds; Molecular dynamics

Indexed keywords

ATOMIC SITES; BASIC CONCEPTS; BOND CHARGES; BOND-ORDER POTENTIAL; COULOMB POTENTIAL; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DYNAMIC CHARGES; EFFECTIVE CHARGE; FUNCTIONAL FORMS; INTERATOMIC POTENTIAL; IONIC COMPOUNDS; MANY-BODY; NEAREST NEIGHBOUR; POINT CHARGE;

ATOMS; CHARGE TRANSFER; COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; GALLIUM ALLOYS; GALLIUM NITRIDE; ION EXCHANGE; MOLECULAR DYNAMICS; SEMICONDUCTING GALLIUM; WAVE FUNCTIONS;

SIMULATORS;

EID: 72049121179     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786430903313708     Document Type: Article

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