Improving n-type thermoelectric performance of Mg2Si0. 4Sn0. 6 compounds via high pressure and Sb-doping
W Guo, J Li, H Pan, Y Deng, B Chen, R Jing… - Journal of Alloys and …, 2024 - Elsevier
Abstract n-type Mg 2 (Si 0.4 Sn 0.6) 1-x Sb x compounds were synthesized using high-
pressure techniques followed by spark plasma sintering. Structural and compositional …
pressure techniques followed by spark plasma sintering. Structural and compositional …
First Principles Study on the Thermodynamic and Elastic Mechanical Stability of Mg2X (X = Si,Ge) Intermetallics with (anti) Vacancy Point Defects
Y Zhao, J Tian, G Bai, L Zhang, H Hou - Crystals, 2020 - mdpi.com
In this paper, based on the density functional theory, through thermodynamic and
mechanical stability criteria, the crystal cell model of intermetallic compounds with vacancy …
mechanical stability criteria, the crystal cell model of intermetallic compounds with vacancy …
First-principles calculation on the structure stability, elastic properties and electronic structure of P-doped Mg2Si
Y Li, T Ma, Y Ren, T Liu, X Zou - Materials Research Express, 2020 - iopscience.iop.org
In this study, the effect on the structure stability, elastic properties and electronic structure of
P-doped Mg 2 Si were studied by the first-principles pseudopotential plane wave method …
P-doped Mg 2 Si were studied by the first-principles pseudopotential plane wave method …
Enhanced Thermoelectric Performances Driven by High-Pressure Phase Transition of Mg2Sn Compound
The ground state properties of the Mg 2 Sn compound under seven different crystal
structures were studied using a first principles approach based on the full-potential …
structures were studied using a first principles approach based on the full-potential …
Roles of carrier doping, band gap, and electron relaxation time in the Boltzmann Transport Calculations of a Semiconductor's Thermoelectric Properties
Although there is a growing demand for first-principles predictions of the thermoelectric
properties of materials, the contribution of various errors in Boltzmann transport calculations …
properties of materials, the contribution of various errors in Boltzmann transport calculations …