TY - JOUR
T1 - Tunable thermal conductivity of ternary alloy semiconductors from first-principles
AU - De Santiago, Francisco
AU - Raya-Moreno, Marti
AU - Miranda, lvaro
AU - Cruz-Irisson, Miguel
AU - Cartoix, Xavier
AU - Rurali, Riccardo
N1 - Publisher Copyright:
© 2021 IOP Publishing Ltd.
PY - 2021/8
Y1 - 2021/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85108402760&partnerID=8YFLogxK
U2 - 10.1088/1361-6463/ac036d
DO - 10.1088/1361-6463/ac036d
M3 - Artículo
AN - SCOPUS:85108402760
SN - 0022-3727
VL - 54
JO - Journal of Physics D: Applied Physics
JF - Journal of Physics D: Applied Physics
IS - 33
M1 - 335302
ER -