Abstract
Abstract
We compute the thermal conductivity, κ, of five representative III–V ternary alloys—namely In
x
Ga1 − x
As, GaAs1 − x
P
x
, InAs1 − x
Sb
x
, GaAs1 − x
N
x
, and GaP1 − x
N
x
—in the whole range of compositions, and in zincblende and wurtzite crystal phases, using a first-principles approach and solving the phonon Boltzmann transport equation beyond the relaxation time approximation. We discuss the tunability of the thermal conductivity with the composition of the alloy, reporting a steep decrease in the thermal conductivity, followed by a wide plateau and a steep increase common in systems with lattice disorder. We also test the approximation consisting in considering impurities at small values of x as bare mass defects, neglecting their chemical identity, and discuss its validity.
Funder
Ministerio de Educación, Cultura y Deporte
Ministerio de Economía, Industria y Competitividad, Gobierno de España
Instituto Politécnico Nacional
Generalitat de Catalunya
Ministerio de Ciencia, Innovación y Universidades
Subject
Surfaces, Coatings and Films,Acoustics and Ultrasonics,Condensed Matter Physics,Electronic, Optical and Magnetic Materials