scholarly journals Electronic structure of a thermoelectric material: BiCuSO

2021 ◽  
Vol 103 (24) ◽  
Author(s):  
D. Pei ◽  
Y.-Y. Lv ◽  
Y. Y. Y. Xia ◽  
Y. W. Li ◽  
J. Y. Liu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Material

scholarly journals Two-dimensional boron monochalcogenide monolayer for thermoelectric material

2020 ◽  
Vol 4 (5) ◽  
pp. 2363-2369 ◽  
Author(s):  
Pushkar Mishra ◽  
Deobrat Singh ◽  
Yogesh Sonvane ◽  
Rajeev Ahuja
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
High Performance ◽  
Two Dimensional ◽  
Thermoelectric Devices ◽  
Potential Applications

We have investigated the electronic structure, vibrational and transport properties of boron chalcogenide BX (X = S, Se, Te) materials, which may have potential applications in high-performance thermoelectric devices.

Electronic Structure of CsBi4Te6

2000 ◽  
Vol 626 ◽  
Author(s):  
P. Larson ◽  
S.D. Mahanti ◽  
D-Y Chung ◽  
M.G. Kanatzidis
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Material ◽  
High Performance ◽  
Figure Of Merit ◽  
Density Functional ◽  
Energy Bands ◽  
Functional Theory ◽  
Energy Characteristics ◽  
Large Anisotropy ◽  
Structure Calculations

ABSTRACTRecently, CsBi4Te6 has been reported as a high-performance thermoelectric material for low temperature applications with a higher thermoelectric figure of merit (ZT ∼ 0.8 at 225 Kelvin) than conventional Bi2-xSbzTe3-ySey alloys at the same temperature. First-principle electronic structure calculations within density functional theory performed on this material give an indirect narrow-gap semiconductor. Dispersions of energy bands along different directions in k-space display large anisotropy and multiple conduction band minima close in energy, characteristics of a good thermoelectric material.

Investigation of the electronic structure and lattice dynamics of the thermoelectric material Na-doped SnSe

2018 ◽  
Vol 98 (9) ◽  
Author(s):  
P. Wu ◽  
B. Zhang ◽  
K. L. Peng ◽  
M. Hagihala ◽  
Y. Ishikawa ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Material ◽  
Lattice Dynamics

scholarly journals Electronic structure of a thermoelectric material: CsBi4Te6

2008 ◽  
Vol 69 (9) ◽  
pp. 2274-2276 ◽  
Author(s):  
W. Luo ◽  
J. Souza de Almeida ◽  
J.M. Osorio-Guillen ◽  
R. Ahuja
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Material

scholarly journals Mechanism of Defect Formation in Zr1 – xVxNiSn Thermoelectric Material

2021 ◽  
Vol 66 (4) ◽  
pp. 333
Author(s):  
V.V. Romaka ◽  
Yu.V. Stadnyk ◽  
P.F. Rogl ◽  
L.P. Romaka ◽  
V.Ya. Krayovskyy ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electric Conductivity ◽  
Temperature Interval ◽  
Thermoelectric Material ◽  
Defect Formation ◽  
Energy State ◽  
Structural Defects ◽  
Simultaneous Generation ◽  
Mechanism Of Defect Formation ◽  
Crystal And Electronic Structure

Crystal and electronic structure, transport and energy state characteristics of the Zr1−xVx NiSn (0.01 ≤ x ≤ 0.1) thermoelectric material are investigated in the 80–400 K temperature interval. A mechanism of simultaneous generation of structural defects of the acceptor and donor nature, which determines the electric conductivity of the material, is established. It is shown that energetically expedient is a simultaneous occupation of the 4c position of Ni (3d84s2) atoms by V (3d34s2) atoms, which generates structural defects of the acceptor nature and the impurity acceptor band Ꜫ1A, as well as the 4a position of Zr (4d25s2) atoms, generating structural defects of the donor nature and the impurity donor band Ꜫ2D.

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