کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1559695 | 1513850 | 2014 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic structure of new superconductor La0.5Th0.5OBiS2: DFT study
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Electronic structure of new superconductor La0.5Th0.5OBiS2: DFT study Electronic structure of new superconductor La0.5Th0.5OBiS2: DFT study](/preview/png/1559695.png)
چکیده انگلیسی
We studied from first-principles the recently discovered BiS2-layered superconductor La0.5Th0.5OBiS2 and compared with LaO0.5F0.5BiS2. Firstly, we have performed a global geometry optimization in order to predict an accurate ground state. In contract to the parent semiconductor LaOBiS2 and according to other recent works, the band structure of both materials presents superconducting behavior, four bands of Bi-6p orbitals that cross a Fermi-level. Additionally, the systematic study of the electronic properties as a function of pressure shows the same behavior in both materials “Enhancement of superconductivity TC”, where the Fermi-level is shifted upward and the Fermi surface presents a similar dispersion. These similarities between tetravalent cation electron-doped via Th+4 substitution for La+3 (La0.5Th0.5OBiS2), and monovalent anion electron-doped via Fâ substitution for O2â (LaO0.5F0.5BiS2) may predict the same electronic properties.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Condensed Matter - Volume 1, December 2014, Pages 19-25
Journal: Computational Condensed Matter - Volume 1, December 2014, Pages 19-25
نویسندگان
N. Benayad, M. Djermouni, A. Zaoui,