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Title: Magnetism and Optical Property of Mn-Doped Monolayer CrSi{sub 2} by First-Principle Study

Abstract

We investigate magnetism and optical properties of intrinsic and Mn-doped monolayer CrSi{sub 2} using the first-principle methods based on density functional theory. The results show that both monolayer CrSi{sub 2} sheets are metallic and ferromagnetic (FM) that hold promise in future 2D magnetic devices. In spite the slight reduction of the total magnetic moment of system after Mn doping in monolayer CrSi{sub 2}, the formation energies of ferromagnetic CrSi{sub 2} are also reduced. So, Mn doping in monolayer CrSi{sub 2} can have more promising applications in spintronics and magnetic storage. The optical properties of monolayer CrSi{sub 2}, including the absorption spectra, reflectivity, refractive index, loss function and dielectric function are also calculated. The intensity of reflectivity in far-infrared ranges is enhanced and real part n of refractive index decreases after Mn doping. The real part n of the refractive index is nearly constant (˜1) beyond 13 eV indicating that monolayer CrSi2 is vacuum like and fully transparent.

Authors:
; ; ;  [1];  [2];  [3];  [1]
  1. Anshun University, College of Electronic and Information Engineering (China)
  2. Chongqing University, Department of Physics and Institute of Condensed Matter Physics (China)
  3. Anhui Institute of Information Technology (China)
Publication Date:
OSTI Identifier:
22773821
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 9; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTRA; CHROMIUM SILICIDES; DENSITY FUNCTIONAL METHOD; DIELECTRIC MATERIALS; DOPED MATERIALS; FORMATION HEAT; MAGNETIC MOMENTS; MAGNETISM; MANGANESE; REFLECTIVITY; REFRACTIVE INDEX; SHEETS

Citation Formats

Chen, Shaobo, Chen, Ying, Yan, Wanjun, Zhou, Shiyun, Xiong, Wen, Yao, Xingxing, and Qin, Xinmao. Magnetism and Optical Property of Mn-Doped Monolayer CrSi{sub 2} by First-Principle Study. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4523-5.
Chen, Shaobo, Chen, Ying, Yan, Wanjun, Zhou, Shiyun, Xiong, Wen, Yao, Xingxing, & Qin, Xinmao. Magnetism and Optical Property of Mn-Doped Monolayer CrSi{sub 2} by First-Principle Study. United States. doi:10.1007/S10948-017-4523-5.
Chen, Shaobo, Chen, Ying, Yan, Wanjun, Zhou, Shiyun, Xiong, Wen, Yao, Xingxing, and Qin, Xinmao. Sat . "Magnetism and Optical Property of Mn-Doped Monolayer CrSi{sub 2} by First-Principle Study". United States. doi:10.1007/S10948-017-4523-5.
@article{osti_22773821,
title = {Magnetism and Optical Property of Mn-Doped Monolayer CrSi{sub 2} by First-Principle Study},
author = {Chen, Shaobo and Chen, Ying and Yan, Wanjun and Zhou, Shiyun and Xiong, Wen and Yao, Xingxing and Qin, Xinmao},
abstractNote = {We investigate magnetism and optical properties of intrinsic and Mn-doped monolayer CrSi{sub 2} using the first-principle methods based on density functional theory. The results show that both monolayer CrSi{sub 2} sheets are metallic and ferromagnetic (FM) that hold promise in future 2D magnetic devices. In spite the slight reduction of the total magnetic moment of system after Mn doping in monolayer CrSi{sub 2}, the formation energies of ferromagnetic CrSi{sub 2} are also reduced. So, Mn doping in monolayer CrSi{sub 2} can have more promising applications in spintronics and magnetic storage. The optical properties of monolayer CrSi{sub 2}, including the absorption spectra, reflectivity, refractive index, loss function and dielectric function are also calculated. The intensity of reflectivity in far-infrared ranges is enhanced and real part n of refractive index decreases after Mn doping. The real part n of the refractive index is nearly constant (˜1) beyond 13 eV indicating that monolayer CrSi2 is vacuum like and fully transparent.},
doi = {10.1007/S10948-017-4523-5},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 9,
volume = 31,
place = {United States},
year = {2018},
month = {9}
}