First principles study of structural, vibrational and electronic properties of graphene-like MX2 (M=Mo, Nb, W, Ta; X=S, Se, Te) monolayers

Physica B: Condensed Matter

Volumn 406, Issue 11, 2011, Pages 2254-2260

  Ding, Yi ^a   Wang, Yanli ^b   Ni, Jun ^c   Shi, Lin ^d   Shi, Siqi ^b   Tang, Weihua ^b  

^a HANGZHOU NORMAL UNIVERSITY   (China)

^b ZHEJIANG SCI TECH UNIVERSITY   (China)

^c TSINGHUA UNIVERSITY   (China)

^d SUZHOU INSTITUTE OF NANO TECH AND NANO BIONICS   (China)

Author keywords

Electronic structure; First principles calculation; Graphene like structure

Indexed keywords

BAND GAPS; BULK COMPOUNDS; CHALCOGEN ATOMS; ENERGETIC STABILITY; FIRST PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; LATTICE PARAMETERS; METAL ATOMS; MOLYBDENUM AND TUNGSTEN; NANO-DEVICES; POTENTIAL APPLICATIONS; SEMICONDUCTOR-TO-METAL TRANSITIONS; STRUCTURAL PARAMETER; VIBRATIONAL MODES;

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GRAPHENE; LATTICE CONSTANTS; MOLYBDENUM; MOLYBDENUM COMPOUNDS; MONOLAYERS; NIOBIUM; SEMICONDUCTING SELENIUM COMPOUNDS; TANTALUM; TRANSITION METALS; TUNGSTEN;

STRUCTURAL PROPERTIES;

EID: 79954993398     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.03.044     Document Type: Article

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