scholarly journals Analyzing transport properties of p-type Mg2Si–Mg2Sn solid solutions: optimization of thermoelectric performance and insight into the electronic band structure

2019 ◽  
Vol 7 (3) ◽  
pp. 1045-1054 ◽  
Author(s):  
Hasbuna Kamila ◽  
Prashant Sahu ◽  
Aryan Sankhla ◽  
Mohammad Yasseri ◽  
Hoang-Ngan Pham ◽  
...  
Keyword(s):  
Band Structure ◽  
Transport Properties ◽  
Carrier Concentration ◽  
Solid Solutions ◽  
Figure Of Merit ◽  
Electronic Band Structure ◽  
Thermoelectric Performance ◽  
Electronic Band ◽  
P Type ◽  
Insight Into

Figure of merit zT mapping of p-Mg2Si1−xSnx with respect to carrier concentration.

Realizing n-type gete through suppressing the formation of cation vacancies and bi-doping*

2021 ◽  
Vol 38 (12) ◽  
pp. 127201
Author(s):  
Min Zhang ◽  
Chaoliang Hu ◽  
Qi Zhang ◽  
Feng Liu ◽  
Shen Han ◽  
...  
Keyword(s):  
Band Structure ◽  
Formation Energy ◽  
Electronic Band Structure ◽  
Hole Concentration ◽  
Thermoelectric Performance ◽  
Electronic Band ◽  
Cation Vacancies ◽  
Bi Doping ◽  
High Hole Concentration ◽  
P Type

It is known that p-type GeTe-based materials show excellent thermoelectric performance due to the favorable electronic band structure. However, n-type doping in GeTe is of challenge owing to the native Ge vacancies and high hole concentration of about 1021 cm−3. In the present work, the formation energy of cation vacancies of GeTe is increased through alloying PbSe, and further Bi-doping enables the change of carrier conduction from p-type to n-type. As a result, the n-type thermoelectric performance is obtained in GeTe-based materials. A peak zT of 0.34 at 525 K is obtained for (Ge0.6Pb0.4)0.88Bi0.12Te0.6Se0.4. These results highlight the realization of n-type doping in GeTe and pave the way for further optimization of the thermoelectric performance of n-type GeTe.

Engineering electronic band structure and thermoelectric performance of GeTe via lattice structure manipulation from first-principles

2021 ◽  
Author(s):  
Tianyu Wang ◽  
Chun Zhang ◽  
Jia-Yue Yang ◽  
Linhua Liu
Keyword(s):  
Band Structure ◽  
Thermoelectric Material ◽  
First Principles ◽  
High Performance ◽  
Figure Of Merit ◽  
Electronic Band Structure ◽  
Lattice Structure ◽  
Thermoelectric Performance ◽  
Electronic Band ◽  
Band Engineering

GeTe has become a high-performance thermoelectric material with a figure of merit (ZT) over two through alloying and band engineering strategies. Yet, the question on how to effective engineer electronic...

scholarly journals Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19

2019 ◽  
Vol 58 (9) ◽  
pp. 5533-5542 ◽  
Author(s):  
Patrick Gougeon ◽  
Philippe Gall ◽  
Rabih Al Rahal Al Orabi ◽  
Benoit Boucher ◽  
Bruno Fontaine ◽  
...  
Keyword(s):  
Band Structure ◽  
Transport Properties ◽  
Electronic Band Structure ◽  
Cluster Compound ◽  
Electronic Band

scholarly journals Electronic stripes and transport properties in borophene heterostructures

Nanoscale ◽  
2019 ◽  
Vol 11 (38) ◽  
pp. 17894-17903 ◽  
Author(s):  
G. H. Silvestre ◽  
Wanderlã L. Scopel ◽  
R. H. Miwa
Keyword(s):  
Band Structure ◽  
Fermi Level ◽  
Transport Properties ◽  
Electronic Band Structure ◽  
Electronic States ◽  
Electronic Band

(Left) Localization of the electronic states near the Fermi level, and the electronic band structure projected on the S1 and S2 stripes. (Right) Transmission probabilites parallel (y) and perpendicular (x) to the S1/S2 borophene superlattice.

Computational Analysis of Strain Effects on Electrical Transport Properties of Crystalline Nanocomposite Thin Films

2011 ◽  
Author(s):  
Hua Li ◽  
Gang Li
Keyword(s):  
Thin Films ◽  
Electrical Conductivity ◽  
Band Structure ◽  
Transport Properties ◽  
Electrical Transport ◽  
Electronic Band Structure ◽  
Electrical Transport Properties ◽  
Electronic Band ◽  
Strain Effects ◽  
Nanocomposite Thin Films

In this work, we model the strain effects on the electrical transport properties of Si/Ge nanocomposite thin films. We utilize a two-band k·p theory to calculate the variation of the electronic band structure as a function of externally applied strains. By using the modified electronic band structure, electrical conductivity of the Si/Ge nanocomposites is calculated through a self-consistent electron transport analysis, where a nonequilibrium Green’s function (NEGF) is coupled with the Poisson equation. The results show that both the tensile uniaxial and biaxial strains increase the electrical conductivity of Si/Ge nanocomposite. The effects are more evident in the biaxial strain cases.

Defect chemistry and enhancement of thermoelectric performance in Ag-doped Sn1+δ−xAgxTe

2017 ◽  
Vol 5 (5) ◽  
pp. 2235-2242 ◽  
Author(s):  
Min Ho Lee ◽  
Do-Gyun Byeon ◽  
Jong-Soo Rhyee ◽  
Byungki Ryu
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
Electronic Band Structure ◽  
Defect Chemistry ◽  
Structure Calculation ◽  
Thermoelectric Performance ◽  
Band Structure Calculation ◽  
Electronic Band

We investigated the thermoelectric properties and electronic band structure calculation of Sn1−xAgxTe and Sn1.03−xAgxTe (x = 1, 3, 5, 7 mol%) compounds.

Remarkable electronic band structure leads to high thermoelectric properties in p-type γ-Cu2S

Vacuum ◽  
2019 ◽  
Vol 170 ◽  
pp. 108964
Author(s):  
Yangfan Cui ◽  
Shuai Duan ◽  
Xin Chen ◽  
Xiaobing Liu
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
P Type

scholarly journals Large improvement in thermoelectric performance of pressure-tuned Mg3Sb2

RSC Advances ◽  
2022 ◽  
Vol 12 (2) ◽  
pp. 1149-1156
Author(s):  
Juan Li ◽  
Shuai Zhang ◽  
Kai Han ◽  
Bing Sun ◽  
Lianzhen Cao
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
Electronic Band Structure ◽  
Thermoelectric Performance ◽  
Electronic Band ◽  
Pressure Tuning ◽  
Large Improvement

Because of the modified electronic band structure, the thermoelectric properties of Mg3Sb2 can be improved by pressure tuning.

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