H. Ambreen, S. Saleem, S. Aldaghfag, M. Zahid, S. Noreen, M. Ishfaq, M. Yaseen
{"title":"探索 Be1-xCrxSe 合金在自旋电子学和光电子学中的应用","authors":"H. Ambreen, S. Saleem, S. Aldaghfag, M. Zahid, S. Noreen, M. Ishfaq, M. Yaseen","doi":"10.15251/cl.2024.214.365","DOIUrl":null,"url":null,"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.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":1.2000,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring of Be1-xCrxSe alloys for spintronics and optoelectronic applications\",\"authors\":\"H. Ambreen, S. Saleem, S. Aldaghfag, M. Zahid, S. Noreen, M. Ishfaq, M. Yaseen\",\"doi\":\"10.15251/cl.2024.214.365\",\"DOIUrl\":null,\"url\":null,\"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.\",\"PeriodicalId\":9710,\"journal\":{\"name\":\"Chalcogenide Letters\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.2000,\"publicationDate\":\"2024-05-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chalcogenide Letters\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.15251/cl.2024.214.365\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chalcogenide Letters","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.15251/cl.2024.214.365","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Exploring of Be1-xCrxSe alloys for spintronics and optoelectronic applications
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.
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.