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Varshney, Dinesh, Jain, S., Shriya, S., Khenata, R.. (1395). High-pressure and temperature-induced structural, elastic, and thermodynamical properties of strontium chalcogenides. , 10(3), 163-193. doi: 10.1007/s40094-016-0214-z
Dinesh Varshney; S. Jain; S. Shriya; R. Khenata. "High-pressure and temperature-induced structural, elastic, and thermodynamical properties of strontium chalcogenides". , 10, 3, 1395, 163-193. doi: 10.1007/s40094-016-0214-z
Varshney, Dinesh, Jain, S., Shriya, S., Khenata, R.. (1395). 'High-pressure and temperature-induced structural, elastic, and thermodynamical properties of strontium chalcogenides', , 10(3), pp. 163-193. doi: 10.1007/s40094-016-0214-z
Varshney, Dinesh, Jain, S., Shriya, S., Khenata, R.. High-pressure and temperature-induced structural, elastic, and thermodynamical properties of strontium chalcogenides. , 1395; 10(3): 163-193. doi: 10.1007/s40094-016-0214-z

High-pressure and temperature-induced structural, elastic, and thermodynamical properties of strontium chalcogenides

Journal of Theoretical and Applied Physics
مقاله 2، دوره 10، شماره 3، آذر 2016، صفحه 163-193  XML اصل مقاله (1.91 M)
شناسه دیجیتال (DOI): 10.1007/s40094-016-0214-z
نویسندگان
Dinesh Varshney email 1؛ S. Jain2؛ S. Shriya1؛ R. Khenata3
1Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University
2Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University;Department of Physics, S. D. Bansal College of Engineering
3Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3 M), Département de Technologie, Université de Mascara
چکیده
AbstractPressure- and temperature-dependent mechanical, elastic, and thermodynamical properties of rock salt to CsCl structures in semiconducting SrX (X = O, S, Se, and Te) chalcogenides are presented based on model interatomic interaction potential with emphasis on charge transfer interactions, covalency effect, and zero point energy effects apart from long-range Coulomb, short-range overlap repulsion extended and van der Waals interactions. The developed potential with non-central forces validates the Cauchy discrepancy among elastic constants. The volume collapse (VP/V0) in terms of compressions in SrX at higher pressure indicates the mechanical stiffening of lattice. The expansion of SrX lattice is inferred from steep increase in VT/V0 and is attributed to thermal softening of SrX lattice. We also present the results for the temperature-dependent behaviors of hardness, heat capacity, and thermal expansion coefficient. From the Pugh’s ratio (ϕ = BT/GH), the Poisson’s ratio (ν) and the Cauchy’s pressure (C12–C44), we classify SrO as ductile but SrS, SrSe, and SrTe are brittle material. To our knowledge these are the first quantitative theoretical prediction of the pressure and temperature dependence of mechanical stiffening, thermally softening, and brittle nature of SrX (X = O, S, Se, and Te) and still await experimental confirmations.
کلیدواژه‌ها
Chalcogenides؛ High pressure؛ Elastic properties؛ mechanical properties؛ Thermal expansion
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