Theoretical study of linear monoatomic nanowires, dimer and bulk of Cu, Ag, Au, Ni, Pd and Pt

Computational Materials Science

Volumn 43, Issue 3, 2008, Pages 522-530

  Zarechnaya, E Yu ^a   Skorodumova, N V ^b   Simak, S I ^c   Johansson, B ^b,d   Isaev, E I ^a,c  

^a NATIONAL UNIVERSITY OF SCIENCE AND TECHNOLOGY MISIS   (Russian Federation)

^b UPPSALA UNIVERSITY   (Sweden)

^c LINKÖPING UNIVERSITY   (Sweden)

^d ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Bulk structures; Chain; DFT; Dimer; Electronic and magnetic properties; Nanowires

Indexed keywords

COPPER; COPPER ALLOYS; DENSITY FUNCTIONAL THEORY; ELECTRIC WIRE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LOCAL DENSITY APPROXIMATION; MAGNETIC PROPERTIES; METALS; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOWIRES; NICKEL; NICKEL ALLOYS; OLIGOMERS; PALLADIUM; PLATINUM; POLYNOMIAL APPROXIMATION; PROBABILITY DENSITY FUNCTION; SILVER;

ATOMIC CHAINS; BULK STRUCTURES; CHAIN; DFT; DIMER; ELECTRONIC AND MAGNETIC PROPERTIES; EXPERIMENTAL OBSERVATIONS; GENERALIZED-GRADIENT APPROXIMATION; PARAMETERIZATIONS; PERDEW-BURKE-ERNZERHOF; WAVE METHOD;

GOLD;

EID: 49349086597     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.12.018     Document Type: Article

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