First-principles study of strain effect on elastic and optical properties and lattice thermal conductivity of Janus ZrBrCl monolayer

2021 ◽  
Vol 26 ◽  
pp. 101995
Author(s):  
Min Xiong ◽  
Zhi-Yong Chen ◽  
Cui-E Hu ◽  
Yan Cheng ◽  
Hua-Yun Geng
Keyword(s):  
Thermal Conductivity ◽  
Optical Properties ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Strain Effect ◽  
First Principles Study

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.

Ultra low lattice thermal conductivity and high carrier mobility of monolayer SnS2and SnSe2: a first principles study

2017 ◽  
Vol 19 (31) ◽  
pp. 20677-20683 ◽  
Author(s):  
Aamir Shafique ◽  
Abdus Samad ◽  
Young-Han Shin
Keyword(s):  
Thermal Conductivity ◽  
Density Functional Theory ◽  
First Principles ◽  
Carrier Mobility ◽  
Density Functional ◽  
Lattice Thermal Conductivity ◽  
Functional Theory ◽  
First Principles Study ◽  
High Carrier Mobility ◽  
High Carrier

Using density functional theory, we systematically investigate the lattice thermal conductivity and carrier mobility of monolayer SnX2(X = S, Se).

scholarly journals Lower lattice thermal conductivity in SbAs than As or Sb monolayers: a first-principles study

2017 ◽  
Vol 19 (47) ◽  
pp. 31982-31988 ◽  
Author(s):  
San-Dong Guo ◽  
Jiang-Tao Liu
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
First Principles Study

The lattice thermal conductivity of monolayer SbAs is lower than those of both monolayer As and Sb.

scholarly journals Nonmonotonic strain dependence of lattice thermal conductivity in monolayer SiC: a first-principles study

2018 ◽  
Vol 20 (34) ◽  
pp. 22038-22046 ◽  
Author(s):  
San-Dong Guo ◽  
Jun Dong ◽  
Jiang-Tao Liu
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Strain Dependence ◽  
First Principles Study ◽  
Thermal Conductivities

The lattice thermal conductivities (200, 250, 300 and 400 K) of a SiC monolayer versus strain, showing nonmonotonic strain dependence.

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