Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

scholarly journals Thermal conductivity of hexagonal BC2P – a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (70) ◽  
pp. 42628-42632
Author(s):  
Rajmohan Muthaiah ◽  
Fatema Tarannum ◽  
Roshan Sameer Annam ◽  
Avinash Singh Nayal ◽  
Swapneel Danayat ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Room Temperature ◽  
High Thermal Conductivity ◽  
First Principles Calculations ◽  
First Principles Study

In this work, we report a high thermal conductivity (k) of 162 W m−1 K−1 and 52 W m−1 K−1 at room temperature, along the directions perpendicular and parallel to the c-axis, respectively, of bulk hexagonal BC2P (h-BC2P), using first-principles calculations.

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...

First principles study of single-layer SnSe2 under biaxial strain and electric field: Modulation of electronic properties

2019 ◽  
Vol 111 ◽  
pp. 201-205 ◽  
Author(s):  
Nguyen D. Hien ◽  
Nguyen Q. Cuong ◽  
Le M. Bui ◽  
Pham C. Dinh ◽  
Chuong V. Nguyen ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
First Principles ◽  
Single Layer ◽  
Biaxial Strain ◽  
First Principles Study ◽  
Field Modulation
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