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مطالعۀ ساختار الکترونی و ویژگی‌های مغناطیسی ترکیب هسلر Co2TaGa | ||
| فصلنامه علمی اپتوالکترونیک | ||
| دوره 3، شماره 2 - شماره پیاپی 9، شهریور 1400، صفحه 19-26 اصل مقاله (505.26 K) | ||
| نوع مقاله: پژوهشی | ||
| شناسه دیجیتال (DOI): 10.30473/jphys.2020.54277.1092 | ||
| نویسندگان | ||
| سیدمجتبی علوی صدر* 1؛ زهره دادی گیو2 | ||
| 1استادیار، فیزیک، گروه علوم پایه، دانشگاه صنعتی بیرجند، بیرجند، ایران | ||
| 2مربی، فیزیک، گروه علوم پایه، دانشگاه صنعتی بیرجند، بیرجند، بیرجند، ایران | ||
| چکیده | ||
| در مطالعه حاضر، ویژگی‌های ساختاری، الکترونی و مغناطیسی ساختارهای بلوری AlCu2Mn و CuHg2Ti از ترکیب هسلر کامل Co2TaGa، با استفاده از محاسبات اصول اولیه در چارچوب نظریه تابعی چگالی مطالعه شدند. نتایج نشان می‌دهند که حالت پایة این ترکیب دارای ساختار بلوری از نوع AlCu2Mn با نظم فرومغناطیسی و گشتاور مغناطیسی µB00/2 است. نتایج محاسبات ساختار الکترونی نشان می‌دهند که حالت پایه دارای خاصیت نیمه فلزی با گاف نواری eV 48/0 و قطبش اسپینی 100% است. بر اساس نتایج این پژوهش، ترکیب هسلر Co2TaGa می‌تواند به عنوان ماده جدیدی برای اهداف اسپینترونیکِ آینده توصیه شود. | ||
| کلیدواژه‌ها | ||
| نیمه فلز؛ نظریه تابعی چگالی؛ ساختار الکترونی؛ خواص مغناطیسی | ||
| عنوان مقاله [English] | ||
| The Study of the Electronic Structure and Magnetic Properties of Co2TaGa Heusler Compound | ||
| نویسندگان [English] | ||
| Seyyed Mojtaba Alavisadr1؛ Zohreh Dadigiv2 | ||
| 1Assictant Professor, Physics, Basic Sciences Department, Birjand University of Technology, Birjand, Iran | ||
| 2Instructor, Physics, Basic Sciences Department, Birjand University of Technology, Birjand, Iran | ||
| چکیده [English] | ||
| In the present work, by using the first-princilpes calculations within the density functional theory framework, the structural, electronic and magnetic properties of AlCu2Mn and CuHg2Ti crystal structures of the full-Heusler compound Co2TaGa were studied. The results indicate that the ground state of this compound is AlCu2Mn-Type with ferromagnetic order and a magnetic moment of 2.00µB. The results of electronic structure calculations show that the ground state has a half-metallic nature with an energy gap of 0.48eV and 100% spin polarization. According to the results of this study, the Co2TaGa Heusler compound can be recommended as a novel material for future aims in spintronic applications. | ||
| کلیدواژه‌ها [English] | ||
| Half-Metal, Density Functional Theory, Electronic Structure, Magnetic Properties | ||
| مراجع | ||
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[11] (!!! INVALID CITATION !!! [2, 10])
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