Phonon transport across GaAs/Ge heterojunctions by nonequilibrium molecular dynamics
Interfaces are ubiquitous in modern electronics and assessing their properties is crucial when it comes to device reliability. Here, we present nonequilibrium molecular dynamics calculations of heat transport across GaAs/Ge heterojunctions. We compute the thermal boundary resistance, considering dif...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2024 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/361133 |
| Acceso en línea: | http://hdl.handle.net/10261/361133 https://api.elsevier.com/content/abstract/scopus_id/85186755834 |
| Access Level: | acceso abierto |
| Palabra clave: | Molecular dynamics Thermal conductivity Phonons Heterostructures |
| Sumario: | Interfaces are ubiquitous in modern electronics and assessing their properties is crucial when it comes to device reliability. Here, we present nonequilibrium molecular dynamics calculations of heat transport across GaAs/Ge heterojunctions. We compute the thermal boundary resistance, considering different interface morphologies, ranging from atomically flat to gradual or rough interfaces. We also discuss the implications for thermal rectification and predict a rectification coefficient as large as 30%. |
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