کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594360 | 1515665 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic properties of novel 6 K superconductor LiFeP in comparison with LiFeAs from first principles calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Electronic properties of novel 6 K superconductor LiFeP in comparison with LiFeAs from first principles calculations Electronic properties of novel 6 K superconductor LiFeP in comparison with LiFeAs from first principles calculations](/preview/png/1594360.png)
چکیده انگلیسی
Very recently, the new 6 K superconductor (SC) LiFeP, the first arsenic-free analog of the family of the so-called “111” FeAs SCs, was discovered. Here, based on first-principle FLAPW-GGA calculations, the band structure, density of states, Fermi surface topology, electron density distribution and effective atomic charges for the new SC LiFeP are investigated for the first time and discussed in comparison with isostructural and isoelectronic LiFeAs. In addition, the theoretical shapes of FeL X-ray emission spectra for LiFeP and LiFeAs are evaluated and compared with available experiments.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 150, Issues 3–4, January 2010, Pages 152–156
Journal: Solid State Communications - Volume 150, Issues 3–4, January 2010, Pages 152–156
نویسندگان
I.R. Shein, A.L. Ivanovskii,