کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1811068 | 1025580 | 2012 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical investigation on first-principles electronic and thermal properties of some CdRE intermetallics
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical investigation on first-principles electronic and thermal properties of some CdRE intermetallics Theoretical investigation on first-principles electronic and thermal properties of some CdRE intermetallics](/preview/png/1811068.png)
چکیده انگلیسی
Ab initio calculation on B2-cadmium rare earth (RE), CdRE (RE=La, Ce and Pr) intermetallics has been performed at T=0Â K with respect to their structural, electronic and thermal properties. The structural and electronic properties are derived using self-consistent tight binding linear muffin tin orbital method at ambient and at high pressure. Other properties like lattice parameter, bulk modulus, density of states, electronic specific heat coefficient, cohesive energy, heat of formation, Debye temperature and Grüneisen constant for CdRE are also estimated. The RE-f effect can be seen in CdPr in terms of variation in the density of states and opens a possibility of structural instability. A pressure induced variation of Debye temperature is also presented for three cadmium rare earth intermetallics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 407, Issue 2, 15 January 2012, Pages 198-203
Journal: Physica B: Condensed Matter - Volume 407, Issue 2, 15 January 2012, Pages 198-203
نویسندگان
Vipul Srivastava, Afroj A. Khan, M. Rajagopalan, Sankar P. Sanyal,