Exploring of Be1-xCrxSe alloys for spintronics and optoelectronic applications

IF 1.2 4区材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY

Chalcogenide Letters Pub Date : 2024-05-13 DOI:10.15251/cl.2024.214.365

H. Ambreen, S. Saleem, S. Aldaghfag, M. Zahid, S. Noreen, M. Ishfaq, M. Yaseen

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引用次数: 0

Abstract

In this study, spin polarized density functional theory (DFT) is implemented to predict physical characteristic of Be1-xCrxSe (x = 6.25%, 12.5%, 18.75%, 25%) compound. The electronic characteristics of pure BeSe compound show semiconductor behavior but after Cr doping BeSe elucidate half-metallic ferromagnetism (HMF) for all doping concentrations. The outcomes elucidate the total magnetic moment MTot per Cr-atom are 4.0028, 4.0027, 4.0021 and 4.0002 μB for 6.25%, 12.5%, 18.75%, 25% concentrations, respectively and the magnetism mainly originated from d-state of the impurity atom which is further ensured from the magnetic spin density. Furthermore, the optical parameters are also computed to determine the effect of doping on the material’s response to incident light of energy spanning from 0 to 10 eV. The optical study depict that the studied systems possess maximum absorbance and optical conductivity in UV-range with minimal reflection. The overall outcomes illustrate that the Cr doped beryllium selenide (BeSe) is promising material for spintronic and optoelectronic devices.

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探索 Be1-xCrxSe 合金在自旋电子学和光电子学中的应用

本研究采用自旋极化密度泛函理论（DFT）来预测 Be1-xCrxSe（x = 6.25%、12.5%、18.75%、25%）化合物的物理特性。纯 BeSe 化合物的电子特性显示出半导体行为，但在掺杂铬之后，BeSe 在所有掺杂浓度下都显示出半金属铁磁性（HMF）。结果表明，在 6.25%、12.5%、18.75% 和 25% 的掺杂浓度下，每个 Cr 原子的总磁矩 MTot 分别为 4.0028、4.0027、4.0021 和 4.0002 μB。此外，还计算了光学参数，以确定掺杂对材料对 0 至 10 eV 能量范围内入射光的响应的影响。光学研究表明，所研究的系统在紫外范围内具有最大的吸收率和光导率，反射率最小。总体结果表明，掺杂铬的硒化铍（BeSe）是一种很有前途的自旋电子和光电器件材料。

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来源期刊

Chalcogenide Letters MATERIALS SCIENCE, MULTIDISCIPLINARY-PHYSICS, APPLIED

CiteScore

1.80

自引率

20.00%

发文量

审稿时长

1 months

期刊介绍： Chalcogenide Letters (CHL) has the aim to publish rapidly papers in chalcogenide field of research and appears with twelve issues per year. The journal is open to letters, short communications and breakings news inserted as Short Notes, in the field of chalcogenide materials either amorphous or crystalline. Short papers in structure, properties and applications, as well as those covering special properties in nano-structured chalcogenides are admitted.