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Size and stoichiometric dependence of thermal conductivities of InxGa1-xN: A molecular dynamics study
Wang, Bowen; Yan, Xuefei; Yan, Hejin; Cai, Yongqing
2022-03-03
Source PublicationComputational Materials Science
ISSN0927-0256
Volume207Pages:111321
Abstract

The thermal conductivities κ of wurtzite InGaN are investigated using equilibrium molecular dynamics (MD) method. The κ of InGaN rapidly declines from InN (κ = 141 W/mK) or GaN (κ = 500 W/mK) to InGaN (x ≠ or 1), and reaches a minimum (κ = 19 W/mK) when × is around 0.5 at 300 K. The mean free path (MFP) of InGaN, ranging from 2 to 5 nm and following the same trend with the κ, is extrapolated in our simulation and a parabolic relationship between × and MFP is established. We find that the κ of InGaN decreases with increasing temperatures. The evolution of κ of InGaN is also examined by projecting the momentum-energy relationship of phonons from MD trajectories. The phonon dispersion and phonon density of states for InGaN reflect a slightly more flattened dispersive phononic curve of the alloying system. Despite an overestimated κ than experimental values, our calculated κ at 300 K agrees well with the results obtained by solving Boltzmann transport equation and also has the same stoichiometric trend with the experimental data. Our study provides the coherent analysis of the effect of thickness, temperature and stoichiometric content on the thermal transport of InGaN which is helpful for the thermal management of InGaN based devices.

KeywordThermal Conductivity Inxga1-xn Mean Free Path Phonon
DOI10.1016/j.commatsci.2022.111321
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaMaterials Science
WOS SubjectMaterials Science ; Multidisciplinary
WOS IDWOS:000789987900007
Scopus ID2-s2.0-85125540975
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Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorCai, Yongqing
AffiliationInstitute of Applied Physics and Materials Engineering, University of Macau, Macau, Macao
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Wang, Bowen,Yan, Xuefei,Yan, Hejin,et al. Size and stoichiometric dependence of thermal conductivities of InxGa1-xN: A molecular dynamics study[J]. Computational Materials Science, 2022, 207, 111321.
APA Wang, Bowen., Yan, Xuefei., Yan, Hejin., & Cai, Yongqing (2022). Size and stoichiometric dependence of thermal conductivities of InxGa1-xN: A molecular dynamics study. Computational Materials Science, 207, 111321.
MLA Wang, Bowen,et al."Size and stoichiometric dependence of thermal conductivities of InxGa1-xN: A molecular dynamics study".Computational Materials Science 207(2022):111321.
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