{"title":"Unveiling the impact of four-phonon scattering on thermal transport properties of the bulk β-Ga2O3 and monolayer Ga2O3","authors":"","doi":"10.1016/j.physe.2024.116099","DOIUrl":null,"url":null,"abstract":"<div><p>In recent years, the role of four-phonon (4ph) scattering in thermal transport properties has been gradually revealed. However, the underlying scattering mechanisms of the bulk <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> and monolayer Ga<sub>2</sub>O<sub>3</sub> remain unclear. Hence, we evaluate the effect of 4ph scattering on the thermal transport properties of the bulk <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> and monolayer Ga<sub>2</sub>O<sub>3</sub> by utilizing first-principles calculations. It has been observed that the Young's modulus and lattice thermal conductivity (<em>κ</em>) of the bulk <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> are anisotropic, while the values of the monolayer Ga<sub>2</sub>O<sub>3</sub> are isotropic. The <em>κ</em> of the bulk <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> along the three directions ([100], [010], and [001]) and monolayer Ga<sub>2</sub>O<sub>3</sub> after adding 4ph scattering are decreased by 9.23%, 11.52%, 13.89%, and 29.24% at 300 K, respectively. Moreover, the effect of four-phonon scattering is more pronounced at the high temperature. Afterwards, based on the phonon behaviors, we can prove that the addition of 4ph scattering can increase the phonon scattering rate, decrease the phonon mean free path, and increase the phase space, which results in lower thermal conductivity. The findings can contribute to a better understanding of high-order phonon scattering mechanisms of the Ga<sub>2</sub>O<sub>3</sub> materials.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":null,"pages":null},"PeriodicalIF":2.9000,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physica E-low-dimensional Systems & Nanostructures","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386947724002030","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"NANOSCIENCE & NANOTECHNOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
In recent years, the role of four-phonon (4ph) scattering in thermal transport properties has been gradually revealed. However, the underlying scattering mechanisms of the bulk β-Ga2O3 and monolayer Ga2O3 remain unclear. Hence, we evaluate the effect of 4ph scattering on the thermal transport properties of the bulk β-Ga2O3 and monolayer Ga2O3 by utilizing first-principles calculations. It has been observed that the Young's modulus and lattice thermal conductivity (κ) of the bulk β-Ga2O3 are anisotropic, while the values of the monolayer Ga2O3 are isotropic. The κ of the bulk β-Ga2O3 along the three directions ([100], [010], and [001]) and monolayer Ga2O3 after adding 4ph scattering are decreased by 9.23%, 11.52%, 13.89%, and 29.24% at 300 K, respectively. Moreover, the effect of four-phonon scattering is more pronounced at the high temperature. Afterwards, based on the phonon behaviors, we can prove that the addition of 4ph scattering can increase the phonon scattering rate, decrease the phonon mean free path, and increase the phase space, which results in lower thermal conductivity. The findings can contribute to a better understanding of high-order phonon scattering mechanisms of the Ga2O3 materials.
期刊介绍:
Physica E: Low-dimensional systems and nanostructures contains papers and invited review articles on the fundamental and applied aspects of physics in low-dimensional electron systems, in semiconductor heterostructures, oxide interfaces, quantum wells and superlattices, quantum wires and dots, novel quantum states of matter such as topological insulators, and Weyl semimetals.
Both theoretical and experimental contributions are invited. Topics suitable for publication in this journal include spin related phenomena, optical and transport properties, many-body effects, integer and fractional quantum Hall effects, quantum spin Hall effect, single electron effects and devices, Majorana fermions, and other novel phenomena.
Keywords:
• topological insulators/superconductors, majorana fermions, Wyel semimetals;
• quantum and neuromorphic computing/quantum information physics and devices based on low dimensional systems;
• layered superconductivity, low dimensional systems with superconducting proximity effect;
• 2D materials such as transition metal dichalcogenides;
• oxide heterostructures including ZnO, SrTiO3 etc;
• carbon nanostructures (graphene, carbon nanotubes, diamond NV center, etc.)
• quantum wells and superlattices;
• quantum Hall effect, quantum spin Hall effect, quantum anomalous Hall effect;
• optical- and phonons-related phenomena;
• magnetic-semiconductor structures;
• charge/spin-, magnon-, skyrmion-, Cooper pair- and majorana fermion- transport and tunneling;
• ultra-fast nonlinear optical phenomena;
• novel devices and applications (such as high performance sensor, solar cell, etc);
• novel growth and fabrication techniques for nanostructures