کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1866148 | 1037931 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles investigations of Cr doping effects on electronic structure and magnetic properties in Sr2FeReO6
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic structures and magnetic properties of double perovskites Sr2Fe1âxCrxReO6 (x=0.0, 0.25, 0.5, 0.75, 1.0) have been studied within the local spin density approximation (LSDA) and LSDA+U schemes. The calculated results reveal that with increasing Cr content the cell volume shrinks 2.61%; the Fe/Cr site magnetic moment decreases while the Re-site moment increases. The total spin magnetic moment linearly decreases with the Cr doping from 3.00μB for x=0.00 down to 1.00μB for x=1.00 per formula unit. The magnetic coupling constants increase with increasing x. The electronic structure calculations indicate that the electronic concentration in the Re spin-down subband slightly increases resulting from the increase of bonding-antibonding interaction between the localised and the delocalised states in spin-down band; the coupling of O-2pâ and transition-metal-3dâ is substantially enhanced with the Cr doping. We discuss the origin of the anomalously high TC of Cr-doped Sr2FeReO6 compounds in terms of band hybridization effects.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 372, Issue 16, 14 April 2008, Pages 2911-2916
Journal: Physics Letters A - Volume 372, Issue 16, 14 April 2008, Pages 2911-2916
نویسندگان
Q.F. Li, X.F. Zhu, L.F. Chen,