First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering

2016 ◽  
Vol 119 (22) ◽  
pp. 225109 ◽  
Author(s):  
Yan Wang ◽  
Zexi Lu ◽  
Xiulin Ruan
Keyword(s):  
Thermal Conductivity ◽  
Electron Scattering ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
First Principles Calculation

scholarly journals First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)

RSC Advances ◽  
2021 ◽  
Vol 11 (25) ◽  
pp. 15486-15496
Author(s):  
Enamul Haque
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Layered Structure ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Performance

The layered structure, and presence of heavier elements Rb/Cs and Sb induce high anharmonicity, low Debye temperature, intense phonon scattering, and hence, low lattice thermal conductivity.

Metal phosphide CuP2 as a promising thermoelectric material: an insight from first-principles study

2021 ◽  
Author(s):  
Un-Gi Jong ◽  
Chol-Hyok Ri ◽  
Chol-Jin Pak ◽  
Chol-Hyok Kim ◽  
Stefaan Cottenier ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermoelectric Material ◽  
Thermoelectric Materials ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Metal Phosphide ◽  
First Principles Study ◽  
Metal Phosphides ◽  
Large Lattice

In the search for better thermoelectric materials, metal phosphides have not been considered to be viable candidates so far, due to their large lattice thermal conductivity. Here we study thermoelectric...

scholarly journals Ultralow lattice thermal conductivity and high thermoelectric performance of monolayer KCuTe: a first principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (62) ◽  
pp. 36301-36307 ◽  
Author(s):  
Jinjie Gu ◽  
Lirong Huang ◽  
Shengzong Liu
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
First Principles Study ◽  
First Time

The excellent thermoelectric performance of monolayer KCuTe is discovered by first-principles study for the first time.

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