کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5447372 1511498 2017 17 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Temperature and pressure dependent structural and thermo-physical properties of quaternary CoVTiAl alloy
ترجمه فارسی عنوان
دما و فشار وابسته به ساختار و ویژگی های فیزیکی کوارتز آلومینیوم
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
چکیده انگلیسی
Investigation of band structure and thermo-physical response of new quaternary CoVTiAl Heusler alloy within the frame work of density functional theory has been analyzed. 100% spin polarization with ferromagnetic stable ground state at the optimized lattice parameter of 6.01 Å is predicted for the compound. Slater-Pauling rule for the total magnetic moment of 3 µB and an indirect semiconducting behavior is also seen for the compound. In order to perfectly analyze the thermo-physical response, the lattice thermal conductivity and thermodynamic properties have been calculated. Thermal effects on some macroscopic properties of CoVTiAl are predicted using the quasi-harmonic Debye model, in which the lattice vibrations are taken into account. The variations of the lattice constant, volume expansion coefficient, heat capacities, and Debye temperature with pressure and temperature in the ranges of 0 GPa to 15 GPa and 0 K to 800 K have been obtained.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 108, September 2017, Pages 109-114
نویسندگان
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