First-principles Investigation of Structure and Electronic Properties of NiTe2 Fermi Crossing Type-II Dirac Semimetal

Saminu, Muzambilu and Saleh, Sofwan Ibrahim and Musa, Shafiu Ibrahim and Ahmed, Gulzar and Idris, M. C. (2021) First-principles Investigation of Structure and Electronic Properties of NiTe2 Fermi Crossing Type-II Dirac Semimetal. Asian Journal of Research and Reviews in Physics, 4 (1). pp. 27-33. ISSN 2582-5992

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Abstract

The electronic structure aspect of transition metal dichalcogenides (TMDs) has so far received intensive research interest. NiTe2 is a noble candidate for type-II DSM with Dirac point near the Fermi surface. In this paper we present a systematic investigation of the structural stabilities and electronic properties of NiTe2 using density functional theory via a plane wave pseudopotential method in the context of the Perdew–Burke–Ernzerh of generalized gradient approximation. The structural parameters, partial and total density of states (DOS) were systematically studied. Our structural study indicates that the material has a trigonal structure with P3̅m1 space group. In addition, we have computed the cohesive energy and the DOS at the Fermi level [N(Ef)]. The results show that NiTe2 is stable.

Item Type: Article
Subjects: Science Global Plos > Physics and Astronomy
Depositing User: Unnamed user with email support@science.globalplos.com
Date Deposited: 14 Feb 2023 11:21
Last Modified: 16 Sep 2023 05:54
URI: http://ebooks.manu2sent.com/id/eprint/75

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