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: 116

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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

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.