Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces

Computer Physics Communications

Volumn 182, Issue 9, 2011, Pages 1796-1799

  Zilibotti, Giovanna ^a,b   Ferrario, Mauro ^a,b,c   Bertoni, Carlo Maria ^a,b,c   Righi, Maria Clelia ^a,b  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b CNR   (Italy)

^c CNISM   (Italy)

Author keywords

Adhesion; Dangling bonds; DFT calculations; Diamond friction

Indexed keywords

AB INITIO CALCULATIONS; ADHESION ENERGY; CARBON BOND; DFT CALCULATION; DIAMOND(001); LATERAL DISPLACEMENTS; PLANE WAVE;

CALCULATIONS; DANGLING BONDS; DIAMONDS;

ADHESION;

EID: 79958169765     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2010.12.023     Document Type: Article

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