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Mechanical properties of CaN, SrN, and BaN compounds by density functional theory
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نویسنده
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Sharifzadeh Homa Sadat ,Sharifzadeh Sima Sadat ,Kanjouri Faramarz ,Esmailian Amirhosein
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منبع
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journal of theoretical and applied physics - 2013 - دوره : 7 - شماره : 2 - صفحه:1 -5
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چکیده
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Using density functional theory, a systematic study of the elastic properties of can, srn, and ban compounds is performed. as a result, the optimized lattice parameters and independent elastic constants are calculated within the generalized gradient approximation. we have also derived bulk and shear moduli, young's moduli, poisson's ratio, and brittle/ductile behavior for can, srn, and ban. the estimated anisotropy parameter, a, shows that srn has higher degree of elastic isotropy in comparison to can and ban.
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کلیدواژه
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Elastic properties ,Density functional theory ,First principles calculations
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آدرس
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islamic azad university, Qom branch, Department of Physics, ایران, islamic azad university, Qom branch, Department of Physics, ایران, kharazmi university (university of tarbiat moallem), Department of Physics, ایران, islamic azad university, Qom branch, Department of Physics, ایران
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Authors
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