Investigation of structural stability and electronic properties of CuN, AgN and AuN by first principles calculations

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 362, Issue 1, 2007, Pages 73-83

  Kanoun, M B ^a   Goumri Said, S ^b  

^a INSTITUT D ELECTRONIQUE   (France)

^b Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COPPER COMPOUNDS; ELECTRONIC PROPERTIES; GOLD COMPOUNDS; LOCAL DENSITY APPROXIMATION; NITRIDES; PRECIOUS METALS; REFRACTORY METAL COMPOUNDS; SILVER COMPOUNDS; STABILITY; ZINC SULFIDE;

AUGMENTED PLANE WAVES; ELECTRON TRANSFER; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATIONS; ROCK-SALT STRUCTURE; STABLE STRUCTURES; STRUCTURAL STABILITIES;

STRUCTURAL PROPERTIES;

EID: 33845958908     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2006.09.100     Document Type: Article

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