بررسی خواص الکترونی، مغناطیسی و اپتیکی ترکیبات تمام‌هویسلر V2ScX(X = Ga, In)

فروزانی, قاسم; کرمی, فاطمه; مرادی, محمود

doi:10.22055/jrmbs.2022.17349

بررسی خواص الکترونی، مغناطیسی و اپتیکی ترکیبات تمام‌هویسلر V2ScX(X = Ga, In)

نوع مقاله : مقاله پژوهشی کامل

نویسندگان

¹ گروه فیزیک، دانشگاه پیام‌نور، ص.پ. 3697-19395، تهران، ایران

² گروه فیزیک، دانشکده علوم، دانشگاه شیراز، شیراز، ایران

10.22055/jrmbs.2022.17349

چکیده

با استفاده از نظریه تابعی چگالی، خواص الکترونی، مغناطیسی و اپتیکی ترکیبات تمام‌هویسلر V2ScX (X = Ga, In) مورد بررسی قرار گرفته است. نتایج نشان می‌دهند که V2ScIn دارای گاف نیم‌فلزی به اندازه 45/0 الکترون‌ولت است و یک فرومغناطیس نیم‌فلز می‌باشد که خاصیت نیم‌فلزی خود را در بازه نسبتا بزرگی از ثابت شبکه حفظ می‌کند. این ترکیب برای کاربردهای اسپینترونیک مناسب است. ترکیب V2ScGa رفتار فلزی از خود نشان می‌دهد. این ترکیبات تمام‌هویسلر از رابطه اسلیتر-پائولینگ پیروی می‌کنند و دارای مغناطش کل صحیحی می‌باشند. بعد از بررسی خواص اپتیکی این نتیجه حاصل شد که این ترکیبات می‌توانند گزینه مناسبی برای استفاده به عنوان جاذب امواج باشند.

کلیدواژه‌ها

عنوان مقاله [English]

Electronic, Magnetic and Optical Properties of V2ScX (Z = Ga, In) Full-Heusler Compounds

نویسندگان [English]

Ghasem Forozani ¹
ّFateme Karami ¹
Mahmood Moradi ²

¹ Department of Physics, Payame Noor University, P.O. Box 19395-3697, Tehran, Iran

² Department of Physics, Shiraz University, Shiraz, Iran

چکیده [English]

Using the density functional theory and generalized gradient approximation, the electronic, magnetic and optical properties of V₂ScX (X = Ga, In) have been investigated. The results show that the V₂ScIn is a half-metallic ferromagnet and preserved its half-metallicity in the relatively larger lattice constants. This compound has half-metallic gap of 0.45 eV. V₂ScIn is suitable for spintronic applications. V₂ScGa compound shows metallic behavior. These full-Heusler compounds follow the Slater-Pauling rule and have the integer total magnetization. The Curie temperature of V₂ScGa and V₂ScIn were estimated to be 341 and 496 K respectively. The results of investigating the optical properties show that these compounds are good candidates to absorb waves.

کلیدواژه‌ها [English]

Full-Heusler compounds
Density functional theory
Optical properties
Spintronics

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