Вышедшие номера
Investigation on Structural, Electronic, Thermal, and Thermoelectric Properties of Co2MnGa under Pressure Based on Density Functional Theory
Fazeli Kisomi A. 1, Mousavi S.J. 2, Nedaee-Shakarab B. 1
1Department of Physics, Ardabil Branch, Islamic Azad University, Ardabil, Iran
2Department of Physics, Rasht Branch, Islamic Azad University, Rasht, Iran
Email: alif1364@yahoo.com, j_mousavi@iaurasht.ac.ir, nedaieshakarab@gmail.com
Выставление онлайн: 6 июня 2022 г.

Structural, electronic, thermal, and thermoelectric properties of Co2MnGa under 0, 5, 10, and 15 GPa pressures have been investigated. In electronic properties, in minority spin, a pseudo band gap (about 0.25 eV) is visible. Thermal properties in the range of 0 to 700 K have been calculated. Our results in thermal properties have a good agreement with another theoretical work. Calculations of thermoelectric properties, in both spin up and down, in the range of 100 to 700 K have been done. In spin up, an abnormal behavior is observed under 5 GPa for electrical conductivity. This is due to increase in Mt at this pressure. The sign and value of Seebeck coefficient in spin up at 300 K has a good consistency with experimental work. Other thermoelectric properties such as: power factor, electronic thermal conductivity divided by relaxation time, electronic contribution of heat capacity at constant volume under pressure have been studied. Keywords: Co2MnGa, density functional theory, electronic properties under pressure, thermoelectric properties under pressure.

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