کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10714348 1025586 2011 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Theoretical investigations on structural, elastic and electronic properties of thallium halides
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Theoretical investigations on structural, elastic and electronic properties of thallium halides
چکیده انگلیسی
Theoretical investigations on structural, elastic and electronic properties, viz. ground state lattice parameter, elastic moduli and density of states, of thallium halides (viz. TlCl and TlBr) have been made using the full potential linearized augmented plane wave method within the generalized gradient approximation (GGA). The ground state lattice parameter and bulk modulus and its pressure derivative have been obtained using optimization method. Young's modulus, shear modulus, Poisson ratio, sound velocities for longitudinal and shear waves, Debye average velocity, Debye temperature and Grüneisen parameter have also been calculated for these compounds. Calculated structural, elastic and other parameters are in good agreement with the available data.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 406, Issue 9, 15 April 2011, Pages 1717-1721
نویسندگان
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