Structural and Electronic Properties of Intercalated Transition Metal Dichalcogenides Compounds

The structural and electronic properties of Transition Metal Dichalcogenides Compound (TMDC) TiS2 and its intercalated compound like FeTiS2 are reported in the present work using Density Functional Theory (DFT). The Generalized Gradient Approximation (GGA) with ultrasoft pseudopotential are used un...

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Principais autores:	Vandana B. Parmar, Aditya M. Vora
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University 2022-09-01
coleção:	Bibechana
Assuntos:	Density Functional Theory (DFT) Generalized Gradient Approximation (GGA) Quantum ESPRESSO code Intercalated compound
Acesso em linha:	https://nepjol.info/index.php/BIBECHANA/article/view/46397
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