کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1483325 | 1510534 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic structure and properties of liquid caesium up to critical point by LMTO calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
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چکیده انگلیسی
It is well-known that liquid caesium shows some unusual properties at low densities. We used supercell technique within linear muffin-tin orbital method to investigate this phenomenon. Electronic structure of liquid caesium for different temperatures from the melting point up to critical point was obtained. The atomic structure was simulated for a cluster of 2000 atoms by the Reatto method on the base of experimental structure factors of Cs obtained by Winter and co-workers for different temperatures (from 323Â K up to 1923Â K). The Kubo-Greenwood formula was applied for the calculations of melts conductivity. The received results indicate that metal-nonmetal transition in liquid cesium is connected not to the gap at Fermi energy in density of electronic states, but more likely with electrons localization on some kind of atomic clusters.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Non-Crystalline Solids - Volume 353, Issues 32â40, 15 October 2007, Pages 3206-3210
Journal: Journal of Non-Crystalline Solids - Volume 353, Issues 32â40, 15 October 2007, Pages 3206-3210
نویسندگان
Alexander Vorontsov, Alexander A. Mirzoev, German P. Vyatkin, Andrey Sobolev,