کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1595154 | 1515670 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural phase transition and elastic properties of Curium and Uranium monobismuthides under pressure effect
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A density functional (DFT) calculations of the structural, elastic and high pressure properties of the cubic XBi (X=U,Cm) compounds, has been reported using the full potential linear muffin-tin orbital (FP-LMTO) method. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. Results are given for lattice constant, bulk modulus and its pressure derivatives. The pressure transitions at which these compounds undergo structural phase transition from NaCl-type (B1) to CsCl-type (B2) phase were found to be in good agreement with the available theoretical results. We have determined the elastic constants C11, C12, C44 and their pressure dependence which have not been established experimentally or theoretically.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 149, Issues 41â42, November 2009, Pages 1772-1776
Journal: Solid State Communications - Volume 149, Issues 41â42, November 2009, Pages 1772-1776
نویسندگان
D. Rached, M. Rabah, R. Khenata, B. Abidri, S. Benalia,