کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1517957 | 1511599 | 2009 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural phase transition (zincblende-rocksalt) and elastic properties in AlY (Y=N, P and As) compounds: Pressure-induced effects
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Structural phase transition (zincblende-rocksalt) and elastic properties in AlY (Y=N, P and As) compounds: Pressure-induced effects Structural phase transition (zincblende-rocksalt) and elastic properties in AlY (Y=N, P and As) compounds: Pressure-induced effects](/preview/png/1517957.png)
چکیده انگلیسی
The present paper addresses the pressure-induced structural aspects of ZnS-type (B3) to NaCl-type (B1) structure in AlY (Y=N, P, As). An effective-interionic interaction potential (EIoIP) with long-range Coulomb and three-body interactions and the Hafemeister-and-Flygare-type short-range overlap repulsion extended up to the second-neighbour ions and the van der Waals (vdW) interaction is developed. Emphasis has been given on evaluating the vdW coefficients by the Slater-Kirkwood variational method, as both the ions are polarizable. The lattice model calculations have revealed reasonably good agreement with the available experimental data on the phase-transition pressures (Pt=16, 14, 7.5Â GPa) and the elastic properties of AlY (Y=N, P, As). The equation of state curves (plotted between V(P)/V(0) and pressure) for both the B3 and B1 structures obtained are in fairly good agreement with the experimental results. The calculated values of the volume collapses [ÎV(P)/V(0)] are also close to their observed data. Further, the variations of the second-order elastic constants with pressure follow a systematic trend that is almost identical to that exhibited by the observed data measured for other semiconducting compounds with B3âB1 structural phase transitions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 70, Issue 2, February 2009, Pages 451-458
Journal: Journal of Physics and Chemistry of Solids - Volume 70, Issue 2, February 2009, Pages 451-458
نویسندگان
Dinesh Varshney, G. Joshi, N. Kaurav, R.K. Singh,