کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8154555 | 1524799 | 2017 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics](/preview/png/8154555.png)
چکیده انگلیسی
In this article we explore the electronic and magnetic properties of RAu intermetallics (R=Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu) for the first time. These properties are calculated by using GGA, GGA+U and hybrid density functional theory (HF) approaches. Our calculations show that HF provides superior results, consistent to the experimentally reported data. The chemical bonding between rare-earth and gold atoms within these compounds are explained on the basis of spin dependent electronic clouds in different planes, which shows predominantly ionic and metallic nature between Au and R atoms. The Cohesive energies of RAu compounds show direct relation with the melting points. Spin-dependent electronic band structure demonstrates that all these compounds are metallic in nature. The magnetic studies show that HoAu and LuAu are stable in non-magnetic structure, PrAu is stable in ferromagnetic phase and CeAu, NdAu, SmAu, GdAu, TbAu, DyAu, ErAu, TmAu, YbAu are anti-ferromagnetic materials.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 422, 15 January 2017, Pages 458-463
Journal: Journal of Magnetism and Magnetic Materials - Volume 422, 15 January 2017, Pages 458-463
نویسندگان
Sardar Ahmad, Rashid Ahmad, S. Jalali-Asadabadi, Zahid Ali, Iftikhar Ahmad,