{"title":"Mechanical, magnetic, and electronic characteristics of Sm-based chalcogenides for spintronics and device applications","authors":"N. A. Noor, F. Nasrullah, I. M. Moussa, S. Mumtaz","doi":"10.15251/cl.2024.215.413","DOIUrl":null,"url":null,"abstract":"To comprehend the mechanical, electronic, and magnetic properties of chalcogenides HgSm2S/Se4, a DFT-oriented thorough investigation is carried out. The elastic constants and spin-dependent electrical characteristics are determined by using the PBEsol-GGA functional and (mBJ) potential correspondingly. Through optimization, a sufficient amount of energy is discharged by the FM state as compared to nonmagnetic states. By investigating Born stability criteria and formation energy, the structural stabilities of both spinels are verified. The calculated Poisson's and Pugh's ratios showed that both spinels are ductile. The estimation of Curie temperature has supported the existence of a ferromagnetic nature at room temperature. Moreover, the presence of ferromagnetism in both spinels is confirmed by spin-oriented electrical characteristics, owing to the coupling between component states associated with Sm and S/Se.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":1.2000,"publicationDate":"2024-05-15","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.2024.215.413","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}
引用次数: 0
Abstract
To comprehend the mechanical, electronic, and magnetic properties of chalcogenides HgSm2S/Se4, a DFT-oriented thorough investigation is carried out. The elastic constants and spin-dependent electrical characteristics are determined by using the PBEsol-GGA functional and (mBJ) potential correspondingly. Through optimization, a sufficient amount of energy is discharged by the FM state as compared to nonmagnetic states. By investigating Born stability criteria and formation energy, the structural stabilities of both spinels are verified. The calculated Poisson's and Pugh's ratios showed that both spinels are ductile. The estimation of Curie temperature has supported the existence of a ferromagnetic nature at room temperature. Moreover, the presence of ferromagnetism in both spinels is confirmed by spin-oriented electrical characteristics, owing to the coupling between component states associated with Sm and S/Se.
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.