Nour el houda Habibes, Abdelkader Boukortt, S. Meskine, Abdesamed Benbedra, Yousra Mamouni, H. Bennacer
{"title":"用于自旋电子器件的掺锰 HgSe 拓扑绝缘体的电子和光学特性","authors":"Nour el houda Habibes, Abdelkader Boukortt, S. Meskine, Abdesamed Benbedra, Yousra Mamouni, H. Bennacer","doi":"10.1149/2162-8777/ad1f8f","DOIUrl":null,"url":null,"abstract":"\n HgSe is a mercury chalcogenide material of the HgX family (where X = S, Se, Te) which crystallises in the zincblende crystal phase. The electronic band structure of HgSe is indicative of a new state of matter in the condensed phase that is of great interest for fundamental physics and possibly new applications. This paper reports ab-initio calculations of the structural, electronic, magnetic, and optical properties of zincblende mercury selenide (HgSe) doped with manganese (Mn) in the inter sites HgMnxSe, with x = 0, 0.058, and 0.117, using the framework of spin-polarized density functional theory. The aim of our investigation is to discuss the different properties of this doped material in order to improve the promising new domain of spintronics with topological systems. Both the GGA+U+mBJ approach and spin-orbit coupling are used for band structure calculations and density of states. The results show a nontrivial topological semimetal order for HgSe and a ferromagnetic topological and metallic behaviour for HgMnxSe. The frequency response of optical properties shows interesting characteristics. Furthermore, the variation with concentration x of the critical point for each of the optical parameters is similar to that of the inverted band gap.","PeriodicalId":504734,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Electronic and Optical Properties of Mn-Doped HgSe Topological Insulator for Spintronic Devices\",\"authors\":\"Nour el houda Habibes, Abdelkader Boukortt, S. Meskine, Abdesamed Benbedra, Yousra Mamouni, H. Bennacer\",\"doi\":\"10.1149/2162-8777/ad1f8f\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n HgSe is a mercury chalcogenide material of the HgX family (where X = S, Se, Te) which crystallises in the zincblende crystal phase. The electronic band structure of HgSe is indicative of a new state of matter in the condensed phase that is of great interest for fundamental physics and possibly new applications. This paper reports ab-initio calculations of the structural, electronic, magnetic, and optical properties of zincblende mercury selenide (HgSe) doped with manganese (Mn) in the inter sites HgMnxSe, with x = 0, 0.058, and 0.117, using the framework of spin-polarized density functional theory. The aim of our investigation is to discuss the different properties of this doped material in order to improve the promising new domain of spintronics with topological systems. Both the GGA+U+mBJ approach and spin-orbit coupling are used for band structure calculations and density of states. The results show a nontrivial topological semimetal order for HgSe and a ferromagnetic topological and metallic behaviour for HgMnxSe. The frequency response of optical properties shows interesting characteristics. Furthermore, the variation with concentration x of the critical point for each of the optical parameters is similar to that of the inverted band gap.\",\"PeriodicalId\":504734,\"journal\":{\"name\":\"ECS Journal of Solid State Science and Technology\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-01-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ECS Journal of Solid State Science and Technology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1149/2162-8777/ad1f8f\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ECS Journal of Solid State Science and Technology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1149/2162-8777/ad1f8f","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
HgSe 是 HgX 族(其中 X = S、Se、Te)中的一种铬化汞材料,以黝帘石晶相结晶。HgSe 的电子能带结构表明了凝聚态物质的一种新状态,对基础物理学和可能的新应用具有重大意义。本文报告了利用自旋极化密度泛函理论框架,对掺杂了锰(Mn)的硒化鋅(HgSe)的结构、电子、磁性和光学特性进行的非线性计算。我们研究的目的是讨论这种掺杂材料的不同特性,以改善具有拓扑系统的自旋电子学这一新领域的前景。GGA+U+mBJ 方法和自旋轨道耦合都被用于带状结构计算和态密度计算。结果表明,HgSe 具有非微不足道的拓扑半金属阶,HgMnxSe 具有铁磁性拓扑和金属特性。光学特性的频率响应显示出有趣的特征。此外,每个光学参数的临界点随浓度 x 的变化与倒带隙的变化相似。
Electronic and Optical Properties of Mn-Doped HgSe Topological Insulator for Spintronic Devices
HgSe is a mercury chalcogenide material of the HgX family (where X = S, Se, Te) which crystallises in the zincblende crystal phase. The electronic band structure of HgSe is indicative of a new state of matter in the condensed phase that is of great interest for fundamental physics and possibly new applications. This paper reports ab-initio calculations of the structural, electronic, magnetic, and optical properties of zincblende mercury selenide (HgSe) doped with manganese (Mn) in the inter sites HgMnxSe, with x = 0, 0.058, and 0.117, using the framework of spin-polarized density functional theory. The aim of our investigation is to discuss the different properties of this doped material in order to improve the promising new domain of spintronics with topological systems. Both the GGA+U+mBJ approach and spin-orbit coupling are used for band structure calculations and density of states. The results show a nontrivial topological semimetal order for HgSe and a ferromagnetic topological and metallic behaviour for HgMnxSe. The frequency response of optical properties shows interesting characteristics. Furthermore, the variation with concentration x of the critical point for each of the optical parameters is similar to that of the inverted band gap.