Dynamic stability of the single-layer transition metal dichalcogenides

Computational Materials Science

Volumn 92, Issue , 2014, Pages 206-212

  Li, Yunguo ^a,c   Li, Yan Ling ^b   Sun, Weiwei ^a,c   Ahuja, Rajeev ^a,c  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b JIANGSU NORMAL UNIVERSITY   (China)

^c UPPSALA UNIVERSITY   (Sweden)

Author keywords

Dichalcogenide nanosheet; Dynamic stability; First principles calculation

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELECTRONEGATIVITY; ELECTRONIC STRUCTURE; ENERGY GAP; POSITIVE IONS; SOLID ELECTROLYTES; TRANSITION METALS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON-PHONON INTERACTIONS; LATTICE THEORY; MOLYBDENUM; PHONONS; STABILITY; TUNGSTEN;

DICHALCOGENIDES; DYNAMIC INSTABILITY; ELECTRON PHONON COUPLINGS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; SINGLE LAYER; TRANSITION METAL CATIONS; TRANSITION METAL DICHALCOGENIDES;

STABILITY; TRANSITION METALS;

EID: 84903168835     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.05.033     Document Type: Article

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