Phonon transport in Zintl Ba2ZnAs2 and Ba2ZnSb2: A first-principles study

2022 ◽  
Vol 141 ◽  
pp. 106446
Author(s):  
Wenya Zhai ◽  
Lanwei Li ◽  
Mengmeng Zhao ◽  
Qiuyuan Hu ◽  
Jingyu Li ◽  
...  
Keyword(s):  
First Principles ◽  
Phonon Transport ◽  
First Principles Study

A first-principles study on the intrinsic phonon transport of Cu 2 GeSe 3

2016 ◽  
Vol 115 (2) ◽  
pp. 26002 ◽  
Author(s):  
Hezhu Shao ◽  
Hao Zhang ◽  
Bo Peng ◽  
Xiaojian Tan ◽  
Guo-Qiang Liu ◽  
...  
Keyword(s):  
First Principles ◽  
Phonon Transport ◽  
First Principles Study

First-Principles Study of Manipulating the Phonon Transport of Molybdenum Disulfide by Sodium Intercalating

2018 ◽  
Vol 122 (5) ◽  
pp. 2632-2640 ◽  
Author(s):  
Hezhu Shao ◽  
Min Jin ◽  
Bo Peng ◽  
Hao Zhang ◽  
Xiaojian Tan ◽  
...  
Keyword(s):  
Molybdenum Disulfide ◽  
First Principles ◽  
Phonon Transport ◽  
First Principles Study

scholarly journals A first-principles study on the phonon transport in layered BiCuOSe

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Hezhu Shao ◽  
Xiaojian Tan ◽  
Guo-Qiang Liu ◽  
Jun Jiang ◽  
Haochuan Jiang
Keyword(s):  
First Principles ◽  
Phonon Transport ◽  
First Principles Study

scholarly journals Strain effects on phonon transport in antimonene investigated using a first-principles study

2017 ◽  
Vol 19 (22) ◽  
pp. 14520-14526 ◽  
Author(s):  
Ai-Xia Zhang ◽  
Jiang-Tao Liu ◽  
San-Dong Guo ◽  
Hui-Chao Li
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Strain Engineering ◽  
Phonon Transport ◽  
Strain Effects ◽  
First Principles Study ◽  
Properties Of Materials

Strain engineering is a very effective method to continuously tune the electronic, topological, optical and thermoelectric properties of materials.

scholarly journals Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

2020 ◽  
Vol 533 ◽  
pp. 147513
Author(s):  
Basant Roondhe ◽  
Vaishali Sharma ◽  
Hardik L. Kagdada ◽  
Dheeraj K. Singh ◽  
Tanusri Saha Dasgupta ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Transport Properties ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
Phonon Transport ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Understanding the electronic and phonon transport properties of a thermoelectric material BiCuSeO: a first-principles study

2017 ◽  
Vol 19 (20) ◽  
pp. 12913-12920 ◽  
Author(s):  
D. D. Fan ◽  
H. J. Liu ◽  
L. Cheng ◽  
J. Zhang ◽  
P. H. Jiang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Transport Theory ◽  
Phonon Transport ◽  
Pseudopotential Method ◽  
Boltzmann Transport ◽  
Comprehensive Understanding ◽  
First Principles Study ◽  
Boltzmann Transport Theory

Using the first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of a thermoelectric material BiCuSeO.

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