شماره ركورد كنفرانس
5328
عنوان مقاله
Calculation of Structural and Electronic Properties of CaB2 in The Orthorhombic Phase
پديدآورندگان
Salehi Hamdollah Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran , Eskandari Akram Department of Physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran
تعداد صفحه
2
كليدواژه
structural properties , quantum Espresso , calcium diboride
سال انتشار
1400
عنوان كنفرانس
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
زبان مدرك
انگليسي
چكيده فارسي
In this paper, the structural and electronic properties of calcium diboride in the orthorhombic phase are calculated and investigated. The calculations are performed using density functional theory and with quasi-potential method and generalized slope approximation by Espresso quantum computational code
كشور
ايران
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