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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Bibliographic Details

Published in:	Bibechana
Main Authors:	Vandana B. Parmar, Aditya M. Vora
Format:	Article
Language:	English
Published:	Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University 2022-09-01
Subjects:	Density Functional Theory (DFT) Generalized Gradient Approximation (GGA) Quantum ESPRESSO code Intercalated compound
Online Access:	https://nepjol.info/index.php/BIBECHANA/article/view/46397