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GGA based study on electronic structure and thermoelectric properties of Mn 2 PtCo full-Heusler compound
Indian Journal of Physics ( IF 2 ) Pub Date : 2021-01-02 , DOI: 10.1007/s12648-020-01941-x
Navdeep Kaur , Vipul Srivastava , Sajad A. Dar

The Heusler compounds have been recognized not only for their applications in spintronic and memory devices but also for thermoelectric devices. In this paper, the electronic and thermoelectric properties of Mn2PtCo full-Heusler compound have been investigated by using the full-potential linearized augmented planewave method and the Boltzmann semi-classical Boltzmann transport theory, respectively. The Mn2PtCo was found stable in Cu2MnAl-prototype structure with ferromagnetic phase. The Mn2PtCo showed metallic character in both the spin channels using generalized gradient approximation. Further, thermoelectric properties like Seebeck coefficient, electrical conductivity, electronic thermal conductivity and power factor have been obtained within the specified temperature range (0–1000 K). The value of power factor was calculated to be 5.90 × 1011 WK−2m−1s−1 at 1000 K.



中文翻译:

基于GGA的Mn 2 PtCo全Heusler化合物的电子结构和热电性能研究

Heusler化合物不仅在自旋电子和存储设备中得到了应用,而且在热电设备中也得到了认可。本文分别采用全电位线性化增强平面波方法和玻尔兹曼半经典玻尔兹曼输运理论研究了Mn 2 PtCo全赫斯勒化合物的电子和热电性质。发现Mn 2 PtCo在具有铁磁相的Cu 2 MnAl原型结构中稳定。Mn 2使用广义梯度近似,PtCo在两个自旋通道中均显示出金属特性。此外,在指定的温度范围(0–1000 K)内已获得热电性质,如塞贝克系数,电导率,电子热导率和功率因数。功率因数在1000 K时计算为5.90×10 11 WK -2 m -1 s -1

更新日期:2021-01-02
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