|
|
|
|
calculation of structural and electronic properties of cab2 in the orthorhombic phase
|
|
|
|
|
|
|
|
نویسنده
|
salehi hamdollah ,eskandari akram
|
|
منبع
|
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران - 1400 - دوره : 23 - بیست و سومین کنفرانس شیمی فیزیک انجمن شیمی ایران - کد همایش: 00210-50174 - صفحه:0 -0
|
|
چکیده
|
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
|
|
کلیدواژه
|
structural properties; quantum espresso; calcium diboride
|
|
آدرس
|
, iran, , iran
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Authors
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|