کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1801333 1024566 2011 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La2VReO6
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La2VReO6
چکیده انگلیسی

While it was recently found that La2VTcO6 and La2VCuO6 are promising candidates for half-metallic antiferromagnets (HM-AFM), the search continues for other potential candidates of HM-AFM in the double perovskites structure La2BB′O6La2BB′O6 (B  , B′=transitionB′=transition metal). La2VReO6 is found to be a nearly HM-AFM. Furthermore, considering correlation and spin–orbital coupling (SOC) effects in transition metals, it is still nearly a HM-AFM after generalized gradient approximation with correction of on-site Coulomb interaction and SOC calculations, as reported herein.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 323, Issue 1, January 2011, Pages 175–178
نویسندگان
, , , , ,