کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8164762 | 1525720 | 2013 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Effect of cation deficiency on the electronic properties and on the Fermi surface topology of K1âxNi2âySe2 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
Soon after the discovery of superconductivity in layered Fe-Ch systems, the intense search of related Fe-free materials has been begun. It was found that these systems such as KxNi2(S,Se)2 are cation-deficient, and the superconducting state should be sensitive to the presence of K and Ni vacancies. Herein, using the first principles FLAPW-GGA calculations, we have studied the electronic structure and Fermi surface (FS) topology for cation-deficient K1âxNi2âySe2. We have found that the presence of potassium vacancies (for K0.8Ni2Se2) as well as the joint effect of K and Ni vacancies (for K0.8Ni1.6Se2) change essentially the topology of their FSs and the character of electronic bands. Unlike 2D-like FS for stoichiometric KNi2Se2, the FSs for cation-deficient compositions demonstrate much more complex topology of mixed 2D-3D type.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica C: Superconductivity - Volume 492, 15 September 2013, Pages 44-48
Journal: Physica C: Superconductivity - Volume 492, 15 September 2013, Pages 44-48
نویسندگان
V.V. Bannikov, A.L. Ivanovskii,