Investigating the electronic structure, magnetic, and optical properties of the KCrS half Heusler compound from first principles.
Using first principles calculations, which were conducted within the framework of Density Functional Theory (DFT) and General Gradient Approximation (GGA), which were implemented using the WIEN2k code program, in order to calculate the structural, electronic, magnetic, and optical properties of the...
| Publicado en: | Journal of Basrah Researches (Sciences) Vol. 50; no. 1; pp. 125 - 137 |
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| Autores principales: | , |
| Formato: | Artículo |
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Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR)
2024
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=181177424&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 181177424 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 18172695 GYGY jtl: Journal of Basrah Researches (Sciences) issn: 18172695 maglogo: N pubinfo: dt: 2024 vid: 50 iid: 1 pid: 25427 pub: Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) artinfo: ui: 181177424 10.56714/bjrs.50.1.11 ppf: 125 ppct: 12 formats: tig: atl: Investigating the electronic structure, magnetic, and optical properties of the KCrS half Heusler compound from first principles. aug: au: Saleh, Rabab A. AL-Zyadi, Jabbar M. affil: Department of Physics, College of Education for Pure Sciences, University of Basrah, Basrah, Iraq. su: Stimulated emission Metal-spinning Magnetic moments Band gaps Optical properties sug: subj: Stimulated emission Metal-spinning Magnetic moments Band gaps Optical properties keyword: DFT Half-metallic KCrS half-Heusler Compound magnetic moment العزم المغناطيسي مركب نصف هيوسلر KCrS نصفالمعدن نظرية الكثافة الوظيفية ab: Using first principles calculations, which were conducted within the framework of Density Functional Theory (DFT) and General Gradient Approximation (GGA), which were implemented using the WIEN2k code program, in order to calculate the structural, electronic, magnetic, and optical properties of the KCrS compound. The results show that the compound achieves the property of half-metal at the equilibrium constant (6.63), where it behaves like a metal in the spin up channel while it behaves like a semiconductor in the spin down channel. The total magnetic moment of KCrS is 5, and the energy gap of this compound is (3,29). In addition, the compound showed distinctive optical properties, which makes it a strong choice for optical and optoelectronic uses. High reflection of light appears in UV, and this is important in laser technology and stimulated emission. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2024 holdings: @attributes: islocal: N |
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