نوع مقاله : پژوهشی

نویسندگان

1 استادیار، فیزیک، گروه علوم پایه، دانشگاه صنعتی بیرجند، بیرجند، ایران

2 مربی، 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.

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