In:
Journal of Physics: Conference Series, IOP Publishing, Vol. 2431, No. 1 ( 2023-01-01), p. 012048-
Abstract:
The spin density functional computations are exploited to determine the electronic and magnetic properties of MoTe 2 monolayer doped with single and double transition metal atoms (V, Cr, Mn, Fe and Co). These properties are sensitive with the types and numbers of the doping transition metals. The semiconductors with narrow band gaps are shown in Cr and Co single-doped MoTe 2 monolayer. V and Mn single-doped MoTe 2 monolayer are metal. Fe single-doped MoTe 2 monolayer reveals the half-metallic behaviours with a 100% spin polarization. V and Co provide the first-two lowest formation energies and are used for the co-doping studies. MoTe 2 monolayers simultaneously doped with two Co are characterized as half metal, while the others are metal. The p-d and d-d hybridization around the Fermi level introduce the magnetism, called double exchange mechanism.
Type of Medium:
Online Resource
ISSN:
1742-6588
,
1742-6596
DOI:
10.1088/1742-6596/2431/1/012048
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
2023
detail.hit.zdb_id:
2166409-2
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