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- W2912689544 abstract "Thermal conductivity of novel b{eta}-NX (X=P, As, Sb) monolayers are explored using a first-principles density functional theory study based on the linearized Peierls-Boltzmann transport equation (PBTE). Our results show that room temperature thermal conductivity of b{eta}-NP, b{eta}-NAs, and b{eta}-NSb are about 1.1, 5.5, and 34.0 times higher than those of single elements b{eta}-P, b{eta}-As, and b{eta}-Sb monolayers, respectively. Analyzing phonon properties shows that higher phonon group velocities as well as phonon lifetimes are responsible for such an enhancement in lattice thermal conductivity of b{eta}-NX (X=P, As, Sb) binary alloys compared to single element group-VA monolayers. In addition, we find that b{eta}-NP has the minimum thermal conductivity between b{eta}-NX (X=P, As, Sb) monolayers, while it has the minimum average atomic mass. This is in contrast with usual expectation that lower mass systems have higher thermal conductivity. Based on our results, there is a competition between effects of harmonic and anharmonic phonon properties in determining the variation of thermal conductivity among b{eta}-NX (X=P, As, Sb) monolayers. Higher anharmonicity of b{eta}-NP is found to be responsible for lower thermal conductivity of this monolayer. Our findings show that a comprehensive understanding of both harmonic and anharmonic phonon properties is essential for thermal conductivity study in any system." @default.
- W2912689544 created "2019-02-21" @default.
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- W2912689544 date "2019-02-05" @default.
- W2912689544 modified "2023-09-27" @default.
- W2912689544 title "Phonon thermal transport in $beta$-NX (X=P, As, Sb) monolayers: A first-principles study" @default.
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