scholarly journals Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe

2021 ◽  
Author(s):  
Anderson S. Chaves ◽  
Robert Luis González-Romero ◽  
Juan J. Meléndez ◽  
Alex Antonelli
Keyword(s):  
Energy Harvesting ◽  
Charge Carrier ◽  
First Principles ◽  
First Principles Calculations ◽  
Thermoelectric Transport ◽  
Carrier Scattering ◽  
Thermoelectric Transport Properties ◽  
Properties Of Materials ◽  
P Type ◽  
Charge Carrier Scattering

Efficient ab initio computational methods for the calculation of the thermoelectric transport properties of materials are of great interest for energy harvesting technologies.

A first-principles study of the thermoelectric properties of rhombohedral GeSe

2020 ◽  
Vol 22 (4) ◽  
pp. 1911-1922
Author(s):  
Kunpeng Yuan ◽  
Zhehao Sun ◽  
Xiaoliang Zhang ◽  
Xiaojing Gong ◽  
Dawei Tang
Keyword(s):  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Thermoelectric Transport ◽  
First Principles Study ◽  
Thermoelectric Transport Properties ◽  
P Type

This work offers insights into the thermoelectric transport properties in rhombohedral GeSe by first-principles calculations and demonstrates that both p-type and n-type GeSe are potential high-performance thermoelectric materials.

Study of the Hall Coefficient in p-Type Germanium Taking into Account Anisotropic Charge Carrier Scattering

1985 ◽  
Vol 128 (2) ◽  
pp. 753-759
Author(s):  
I. V. Gutsul ◽  
I. G. Kirnas ◽  
P. G. Litovchenko ◽  
V. I. Marusyak ◽  
V. M. Nitsovich ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Hall Coefficient ◽  
Carrier Scattering ◽  
P Type ◽  
Charge Carrier Scattering

scholarly journals Bilayer MSe2 (M = Zr, Hf) as promising two-dimensional thermoelectric materials: a first-principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (22) ◽  
pp. 12394-12403 ◽  
Author(s):  
Peng Yan ◽  
Guo-ying Gao ◽  
Guang-qian Ding ◽  
Dan Qin
Keyword(s):  
Thin Films ◽  
Thermoelectric Materials ◽  
First Principles ◽  
Transport Theory ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Boltzmann Transport ◽  
Thermoelectric Transport ◽  
Boltzmann Transport Theory ◽  
Thermoelectric Transport Properties

Motivated by experimental synthesis of two-dimensional MSe2 (M = Zr, Hf) thin films, we investigate the thermoelectric transport properties of MSe2 (M = Zr, Hf) bilayers by using first-principles calculations and Boltzmann transport theory.

Non-linear enhancement of thermoelectric performance of a TiSe2 monolayer due to tensile strain, from first-principles calculations

2019 ◽  
Vol 7 (24) ◽  
pp. 7308-7317 ◽  
Author(s):  
Safoura Nayeb Sadeghi ◽  
Mona Zebarjadi ◽  
Keivan Esfarjani
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Transport Theory ◽  
First Principles Calculations ◽  
Boltzmann Transport ◽  
Functional Theory ◽  
Thermoelectric Transport ◽  
Exchange Correlation ◽  
Boltzmann Transport Theory ◽  
Thermoelectric Transport Properties

Using first-principles density functional theory (DFT) calculations combined with the Boltzmann transport theory, we investigate the effect of strain on the electronic and thermoelectric transport properties of the 1T-TiSe2 monolayer, a two-dimensional (2D) material, and compare it with the bulk phase within the PBE, LDA+U and HSE exchange–correlation functionals.

scholarly journals Charge carrier transport and lifetimes in n-type and p-type phosphorene as 2D device active materials: an ab initio study

2016 ◽  
Vol 18 (32) ◽  
pp. 22706-22711 ◽  
Author(s):  
E. Tea ◽  
C. Hin
Keyword(s):  
Charge Carrier ◽  
Ab Initio ◽  
First Principles ◽  
Carrier Transport ◽  
Charge Carrier Transport ◽  
First Principles Calculations ◽  
Ab Initio Study ◽  
Active Materials ◽  
Radiative Lifetimes ◽  
P Type

Electron and hole non-radiative lifetimes in phosphorene are investigated by first principles calculations.

Charge Carrier Scattering Mechanisms in Thermoelectric PbTe:Sb

2014 ◽  
Vol 59 (7) ◽  
pp. 706-711 ◽  
Author(s):  
D.M. Freik ◽  
◽  
S.I. Mudryi ◽  
I.V. Gorichok ◽  
R.O Dzumedze ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Scattering Mechanisms ◽  
Carrier Scattering ◽  
Charge Carrier Scattering
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