Thermoelectric properties of Mg-doped mercury selenide HgSe

被引：5

作者：

Selmani, Y. ^{[1
]}

Labrim, H. ^{[1
,2
]}

Jabar, A. ^{[3
]}

Bahmad, L. ^{[1
]}

机构：

[1] Mohammed V Univ Rabat, Fac Sci, Lab Condensed Matter & Interdisciplinary Sci LaMCS, Ave Ibn Batouta,BP 1014, Rabat, Morocco

[2] Ibn Tofail Univ, Natl Sch Appl Sci, Adv Syst Engn Lab, Kenitra, Morocco

[3] Hassan II Univ Casablanca, Fac Sci Ain Chock, LPMAT, BP 5366, Casablanca, Morocco

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2023年

关键词：

Boltzmann transport theory; relaxation time; thermoelectric properties; thermal conductivity; electrical conductivity; figure of merit; GENERALIZED GRADIENT APPROXIMATION; TRANSPORT-PROPERTIES; POWER-GENERATION; PHASE-TRANSITION; PERFORMANCE; CONVERGENCE; STABILITY; CRYSTAL; GROWTH; SB;

D O I：

10.1142/S021797922450334X

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

By using the density functional theory (DFT) in combination with Boltzmann transport theory, the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg1-xMgxSe ternary alloys was systematically investigated. The generalized gradient approximations of Perdew-Burke-Ernzerhof (GGA-PBE) have been used to illustrate the exchange correlation potential. The thermodynamic stability of the studied compounds was analyzed in terms of formation energy. Various thermoelectric transport parameters, such as the Seebeck coefficient (S), the thermal conductivity over relaxation time (k/tau), the electrical conductivity over relaxation time (sigma/tau), the power factor (PF) and the figure of merit (ZT) have been deduced and discussed. The obtained results of thermoelectric properties show that the studied materials can be useful for thermoelectric devices at room temperature. It can also be seen that Mg concentrations can increase the thermal efficiency of the HgSe alloy.

引用

页数：16

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