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
![عکس صفحه اول مقاله: Effect of cation deficiency on the electronic properties and on the Fermi surface topology of K1âxNi2âySe2 from first principles calculations Effect of cation deficiency on the electronic properties and on the Fermi surface topology of K1âxNi2âySe2 from first principles calculations](/preview/png/8164762.png)
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,