کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1814921 1025657 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic structure study of NaCo2O4 by LAPW method
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Electronic structure study of NaCo2O4 by LAPW method
چکیده انگلیسی
The electronic structure of NaCo2O4 is calculated by linearized augmented plane wave (LAPW) method. Virtual crystal approximation and supercell calculations are used to investigate it. The theoretical values of electric field gradient (EFG) are calculated. We find that the theoretical EFG with GGA approximation are consistent with the experimental results. The electronic structures of other ACo2O4 (A=Na, K, Rb, Cs) compounds are also calculated to study the peculiar properties of NaCo2O4.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 391, Issue 2, 1 April 2007, Pages 389-392
نویسندگان
, ,