Why has 1T-TaTe2 not yet been synthetized? A DFT contribution

Synthetic Metals

Volumn 103, Issue 1-3, 1999, Pages 2679-2682

  Lemoigno, F ^a   Doublet, M L ^a   Remy, S ^a  

^a UNIV MONTPELLIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TANTALUM COMPOUNDS;

BAND INTERACTION; CHALCOGENS; CRYSTAL ORBITAL OVERLAP; PERIODICAL DENSITY FUNCTIONAL CALCULATION; QUANTUM CHEMICAL METHODS;

TRANSITION METAL COMPOUNDS;

EID: 0033137962     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0379-6779(98)00230-6     Document Type: Article

References (8)

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7. [7] F. Herman, S. Skillman, in Atomic Structure Calculations, Prentice-Hall, Englewood Cliffs, NJ (1963)
8. [8] M.-L. Doublet, N. Gallego-Planas, P. H. T. Philipsen, S. Jobic, R. Brec, J. Chem. Phys 108 (1998) 649