Band Structure Modification and Mass Fluctuation Effects of Isoelectronic Germanium-Doping on Thermoelectric Properties of ZrNiSn

2019 ◽  
Vol 3 (2) ◽  
pp. 1349-1357 ◽  
Author(s):  
Kishor Kumar Johari ◽  
Ruchi Bhardwaj ◽  
Nagendra S. Chauhan ◽  
Bhasker Gahtori ◽  
Sivaiah Bathula ◽  
...  
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
Structure Modification ◽  
Fluctuation Effects ◽  
Mass Fluctuation

Effects of La doping induced carrier concentration regulation and band structure modification on thermoelectric properties of PbSe

2022 ◽  
Vol 208 ◽  
pp. 114360
Author(s):  
Fang Xu ◽  
Dan Zhang ◽  
Shikang Gao ◽  
Lei Yang ◽  
Xingyuan San ◽  
...  
Keyword(s):  
Band Structure ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
Structure Modification ◽  
La Doping

Effect of Electron-Phonon Coupling on Transport Properties of Monolayers of ZrS2, BiI3 and PbI2: A thermoelectric Perspective

2021 ◽  
Author(s):  
Gautam Sharma ◽  
Vineet Kumar Pandey ◽  
Shouvik Datta ◽  
Prasenjit Ghosh
Keyword(s):  
Relaxation Time ◽  
Band Structure ◽  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Waste Heat ◽  
Transport Coefficients ◽  
Electrical Energy ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

Thermoelectric materials are used for conversion of waste heat to electrical energy. The transport coefficients that determine their thermoelectric properties depend on the band structure and the relaxation time of...

Electronic structure of the thermoelectric materials PbTe and AgPb18SbTe20 from first-principles calculations

2010 ◽  
Vol 25 (6) ◽  
pp. 1030-1036 ◽  
Author(s):  
Pengxian Lu ◽  
Zigang Shen ◽  
Xing Hu
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Partial Density ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Scanning Transmission ◽  
Linearized Augmented Plane Wave

To investigate the effects of substituting Ag and Sb for Pb on the thermoelectric properties of PbTe, the electronic structures of PbTe and AgPb18SbTe20 were calculated by using the linearized augmented plane wave based on the density-functional theory of the first principles. By comparing the differences in the band structure, the partial density of states (PDOS), the scanning transmission microscope, and the electron density difference for PbTe and AgPb18SbTe20, we explained the reason from the aspect of electronic structures why the thermoelectric properties of AgPb18SbTe20 could be improved significantly. Our results suggest that the excellent thermoelectric properties of AgPb18SbTe20 should be attributed in part to the narrowing of its band gap, band structure anisotropy, the much extrema and large DOS near Fermi energy, as well as the large effective mass of electrons. Moreover, the complex bonding behaviors for which the strong bonds and the weak bonds are coexisted, and the electrovalence and covalence of Pb–Te bond are mixed should also play an important role in the enhancement of the thermoelectric properties of the AgPb18SbTe20.

Thermoelectric properties of Te-doped ternary CuAgSe compounds

2015 ◽  
Vol 3 (44) ◽  
pp. 22454-22461 ◽  
Author(s):  
P. F. Qiu ◽  
X. B. Wang ◽  
T. S. Zhang ◽  
X. Shi ◽  
L. D. Chen
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties

Te dopants at Se-sites exert little influence on the band structure of β-CuAgSe as compared with the off-stoichiometry.

Thermoelectric Properties of K2Bi8−xSbxSe13Solid Solutions and Se Doping

2001 ◽  
Vol 691 ◽  
Author(s):  
Theodora Kyratsi ◽  
Jeffrey S. Dyck ◽  
Wei Chen ◽  
Duck-Young Chung ◽  
Ctirad Uher ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Charge Transport ◽  
Transport Properties ◽  
Thermoelectric Properties ◽  
Solid Solutions ◽  
Figure Of Merit ◽  
Lattice Thermal Conductivity ◽  
Se Doping ◽  
Mass Fluctuation ◽  
Thermal Conductivities

ABSTRACTOur efforts to improve the thermoelectric properties of β-K2Bi8Se13, led to systematic studies of solid solutions of the type β-K2Bi8−xSbxSe13. The charge transport properties and thermal conductivities were studied for selected members of the series. Lattice thermal conductivity decreases due to the mass fluctuation generated in the lattice by the mixed occupation of Sb and Bi atoms. Se excess as a dopant was found to increase the figure-of merit of the solid solutions.

Band Structure and Thermoelectric Properties of Ni(x)Zn(1-x)Fe2O4

2021 ◽  
Vol 317 ◽  
pp. 28-34
Author(s):  
Joon Hoong Lim
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Band Structure ◽  
Seebeck Coefficient ◽  
Band Gap ◽  
Thermoelectric Properties ◽  
Xrd Analysis ◽  
Valence Band Maximum ◽  
Solid State Method ◽  
Ni Content

Thermoelectric materials has made a great potential in sustainable energy industries, which enable the energy conversion from heat to electricity. The band structure and thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 have been investigated. The bulk pellets were prepared from analytical grade ZnO, NiO and Fe2O3 powder using solid-state method. It was possible to obtain high thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 by controlling the ratios of dopants and the sintering temperature. XRD analysis showed that the fabricated samples have a single phase formation of cubic spinel structure. The thermoelectric properties of Ni(x)Zn(1-x)Fe2O4 pellets improved with increasing Ni. The electrical conductivity of Ni(x)Zn(1-x)Fe2O4 pellets decreased with increasing Ni content. The electrical conductivity of Ni(x)Zn(1-x)Fe2O4 (x = 0.0) is (0.515 x10-3 Scm-1). The band structure shows that ZnxCu1-xFe2O4 is an indirect band gap material with the valence band maximum (VBM) at M and conduction band minimum (CBM) at A. The band gap of Ni(x)Zn(1-x)Fe2O4 increased with increasing Ni content. The increasing band gap correlated with the lower electrical conductivity. The thermal conductivity of Ni(x)Zn(1-x)Fe2O4 pellets decreased with increasing Ni content. The presence of Ni served to decrease thermal conductivity by 8 Wm-1K-1 over pure samples. The magnitude of the Seebeck coefficient for Ni(x)Zn(1-x)Fe2O4 pellets increased with increasing amounts of Ni. The figure of merit for Ni(x)Zn(1-x)Fe2O4 pellets and thin films was improved by increasing Ni due to its high Seebeck coefficient and low thermal conductivity.

Band structure, phonon spectrum, and thermoelectric properties of β-BiAs and β-BiSb monolayers

2020 ◽  
Vol 8 (2) ◽  
pp. 581-590 ◽  
Author(s):  
C. Y. Wu ◽  
L. Sun ◽  
J. C. Han ◽  
H. R. Gong
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Phonon Spectrum ◽  
Transport Theory ◽  
First Principles Calculation ◽  
Boltzmann Transport ◽  
Band Structures ◽  
Boltzmann Transport Theory ◽  
Phonon Spectra

First-principles calculation and Boltzmann transport theory have been combined to comparatively investigate the band structures, phonon spectra, and thermoelectric properties of both β-BiSb and β-BiAs monolayers.

scholarly journals Experimental investigation of the predicted band structure modification of Mg2X (X: Si, Sn) thermoelectric materials due to scandium addition

2019 ◽  
Vol 125 (22) ◽  
pp. 225103 ◽  
Author(s):  
Aryan Sankhla ◽  
Mohammad Yasseri ◽  
Hasbuna Kamila ◽  
Eckhard Mueller ◽  
Johannes de Boor
Keyword(s):  
Experimental Investigation ◽  
Band Structure ◽  
Thermoelectric Materials ◽  
Structure Modification

Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te

2017 ◽  
Vol 46 (48) ◽  
pp. 17053-17060 ◽  
Author(s):  
Vijayakumar Sajitha Aswathy ◽  
Cheriyedath Raj Sankar ◽  
Manoj Raama Varma ◽  
Abdeljalil Assoud ◽  
Mario Bieringer ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Stability ◽  
Band Structure ◽  
Thermoelectric Properties ◽  
Layered Chalcogenides ◽  
Low Thermal Conductivity ◽  
Structure Characteristics ◽  
Thermal Stability Of

The layered chalcogenides, TlScQ2 (Q = Se, Te), possess intriguing band structure characteristics and very low thermal conductivity.

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