First-principles studies of BN sheets with absorbed transition metal single atoms or dimers: Stabilities, electronic structures, and magnetic properties

Journal of Physics Condensed Matter

Volumn 24, Issue 14, 2012, Pages

  Ma, Dongwei ^a   Lu, Zhansheng ^b   Ju, Weiwei ^a   Tang, Yanan ^b  

^a FUDAN UNIVERSITY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION SITE; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES STUDY; FREE ATOMS; GENERALIZED GRADIENT APPROXIMATIONS; HALF METALS; HIGH MOBILITY; IN-FIELD; LAYER-BY-LAYER GROWTH; NI ATOMS; POTENTIAL APPLICATIONS; SINGLE ATOMS; SPIN-POLARIZED; WIDE BAND GAP;

ADATOMS; ADSORPTION; BINDING ENERGY; ELECTRONIC STRUCTURE; MAGNETIC PROPERTIES; TRANSITION METALS;

ATOMS;

TRANSITION ELEMENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRONICS; MAGNETISM; QUANTUM THEORY; SEMICONDUCTOR; SURFACE PROPERTY;

COMPUTER SIMULATION; ELECTRONICS; MAGNETICS; MODELS, CHEMICAL; QUANTUM THEORY; SEMICONDUCTORS; SURFACE PROPERTIES; TRANSITION ELEMENTS;

EID: 84858696430     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/14/145501     Document Type: Article

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