Thermal transport by electrons and phonons in PdTe2: an ab initio study

2021 ◽  
Vol 23 (10) ◽  
pp. 5956-5962
Author(s):  
Shouhang Li ◽  
Xinyu Zhang ◽  
Hua Bao
Keyword(s):  
Ab Initio ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Thermal Conductivities

The electronic and lattice thermal conductivities of the a-axis and c-axis of PdTe2.

Thermal Transport Property of Novel Two-dimensional Nitride Phosphorus: an ab initio Study

2021 ◽  
pp. 149463
Author(s):  
Bing Lv Calculation ◽  
Xiaona Hu ◽  
Ning Wang ◽  
Jia Song ◽  
Xuefei Liu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Property ◽  
Thermal Transport ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Thermal Transport Property

scholarly journals Ab initio study of elastic anisotropies and thermal conductivities of rhenium diborides in different crystal structures

RSC Advances ◽  
2020 ◽  
Vol 10 (61) ◽  
pp. 37142-37152
Author(s):  
Yi X. Wang ◽  
Ying Y. Liu ◽  
Zheng X. Yan ◽  
W. Liu ◽  
Jian B. Gu
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Crystal Structures ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Ab Initio Study ◽  
Ambient Conditions ◽  
Functional Theory ◽  
Thermal Conductivities

The phase stabilities, elastic anisotropies, and thermal conductivities of ReB2 diborides under ambient conditions have been investigated by using density functional theory calculations.

Electrical and thermal transport properties of Fe–Ni based ternary alloys in the earth's inner core: An ab initio study

2020 ◽  
Vol 301 ◽  
pp. 106465
Author(s):  
Mustapha Zidane ◽  
El Mehdi Salmani ◽  
Arnab Majumdar ◽  
Hamid Ez-Zahraouy ◽  
Abdelilah Benyoussef ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Properties ◽  
Thermal Transport ◽  
Inner Core ◽  
Ternary Alloys ◽  
Ab Initio Study ◽  
Thermal Transport Properties ◽  
Earth’S Inner Core

Thermal transport in novel carbon allotropes with sp2 or sp3 hybridization: An ab initio study

2017 ◽  
Vol 95 (8) ◽  
Author(s):  
Sheng-Ying Yue ◽  
Guangzhao Qin ◽  
Xiaoliang Zhang ◽  
Xianlei Sheng ◽  
Gang Su ◽  
...  
Keyword(s):  
Ab Initio ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Carbon Allotropes

Thermal transport properties of antimonene: an ab initio study

2016 ◽  
Vol 18 (45) ◽  
pp. 31217-31222 ◽  
Author(s):  
Shudong Wang ◽  
Wenhua Wang ◽  
Guojun Zhao
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Transport Properties ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Thermoelectric Devices ◽  
Low Thermal Conductivity ◽  
Thermal Transport Properties

Searching for low thermal conductivity materials is crucial for thermoelectric devices.

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study

Carrier Transport in 2-D Materials: an Ab Initio Study

2019 ◽  
Author(s):  
Mathieu Luisier ◽  
Aron Szabo ◽  
Cedric Klinkert ◽  
Christian Stieger ◽  
Martin Rau ◽  
...  
Keyword(s):  
Ab Initio ◽  
Carrier Transport ◽  
Ab Initio Study
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