کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1611890 1516296 2014 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
High pressure studies of terbium trihydride. X-ray, Raman and DFT investigations
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
High pressure studies of terbium trihydride. X-ray, Raman and DFT investigations
چکیده انگلیسی


• Hexagonal to cubic phase transition has been studied by X-ray and Raman measurements.
• Theoretical calculations have supported our findings.
• Equations of state for both phases have been determined.

Pressure induced phase transformation in terbium trihydride has been studied by X-ray diffraction and Raman spectroscopy up to 20 GPa. Theoretical calculations were performed using density functional theory (DFT) with the Perdew–Burke–Ernzerhof parameterizations of the generalized gradient approximation as implemented in the VASP code. X-ray diffraction analysis and Raman measurements show structural transformation from original hcp to cubic structure at pressure of ∼7.0 GPa. The result is in good agreement with the theoretical predictions. Characterization of the new phase along with equations of state of both phases is presented.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 597, 5 June 2014, Pages 58–62
نویسندگان
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