A Computational Investigation on Chain Structure and Thermoelectric Properties ofLi(CaPd)۲ Based on DFT calculations
سال انتشار: 1403
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 119
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شناسه ملی سند علمی:
NICEC22_495
تاریخ نمایه سازی: 7 مرداد 1403
چکیده مقاله:
The present study is aimed to investigate crystal structure of Li(CaPd)۲ alloy from a computationalpoint of view. Quantum espresso package along with GG approximation was utilized in this study, and theobtained results demonstrated that the material can be regarded as conductive material
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نویسندگان
Amir Rahimpour Anghaneh
Department of Physical Chemistry, Faculty of Chemistry, Tabriz University of Shahid Madani, Tabriz, Iran.Department of Physical Chemistry, faculty of Chemistry, Urmia University, Urmia, Iran.
Jaber Jahanbin Sardroodi
Department of Physical Chemistry, Faculty of Chemistry, Tabriz University of Shahid Madani, Tabriz, Iran.
Ebrahim Nemati-Kande
Department of Physical Chemistry, faculty of Chemistry, Urmia University, Urmia, Iran.