کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1814875 | 1025656 | 2008 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic structure and magnetism of NpTAl (T=Co, Ni, Rh, Ir and Pt) and NpNiGa from first-principles calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
First-principles calculations based on density-functional theory were performed for the first time on NpTAl (T=Co, Ni, Rh, Ir and Pt) and NpNiGa. The electronic density of states and equilibrium volume were studied using relativistic full-potential APW plus local-orbitals calculations. The magnetocrystalline anisotropy energy was estimated from total-energy calculations and the a-axis was predicted to be the easy axis of magnetization with the exception of T=Rh. Finally, we employed the LSDA+U method to mimic the orbital polarization and to obtain the correct total magnetic moments in experimental equilibrium.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 403, Issue 1, 1 January 2008, Pages 170-173
Journal: Physica B: Condensed Matter - Volume 403, Issue 1, 1 January 2008, Pages 170-173
نویسندگان
M. Diviš,