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• W2890136736 abstract "Experimentally synthesized MgAgSb exhibits an ultralow thermal conductivity and is thought to be a promising low-temperature thermoelectric material. Employing first-principles method and deformation potential theory, we studied the effect of pressure on relaxation time and the thermoelectric properties of MgAgSb. The results demonstrate that hydrostatic pressure can increase its band gap from 0.25 to 0.69 eV, which improve its thermoelectric properties by weakening bipolar effect. Astonishingly, pressure induces high degeneracy of the bands near the Fermi level. Especially, above 5 GPa, near the valence band maximum, the band valley increases, and simultaneously Sb-p states show a larger decrease than Mg-s and Ag-d states. Moreover, the maximum ZT of 3.8 of p-type MgAgSb within the carrier concentration range from 1019 to 1021 cm−3 in 300 K could be achieved under 10 GPa, and n-type one may have a peak ZT of 1.8 under 0 GPa along c-direction." @default.
• W2890136736 created "2018-09-27" @default.
• W2890136736 creator A5014661038 @default.
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• W2890136736 date "2018-12-01" @default.
• W2890136736 modified "2023-10-18" @default.
• W2890136736 title "Pressure effect on the electronic structure and thermoelectric properties of α-MgAgSb" @default.
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• W2890136736 doi "https://doi.org/10.1016/j.commatsci.2018.08.003" @default.
• W2890136736 hasPublicationYear "2018" @default.
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