Thermal rectification in silicon by a graded distribution of defects

We discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed...

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Detalles Bibliográficos
Autores: Dettori, Riccardo, Melis, Claudio, Rurali, Riccardo, Colombo, Luciano
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2016
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/135080
Acceso en línea:http://hdl.handle.net/10261/135080
Access Level:acceso abierto
Palabra clave:Rectification
Germanium
Thermal conductivity
Elemental semiconductors
Interface structure
Descripción
Sumario:We discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed along the direction of an applied thermal bias, and predict a rectification factor comparable to what is observed in other low–dimensional Si–based nanostructures. By considering several defect distribution profiles, thermal bias conditions, and sample sizes, the present results suggest that a possible way for tuning the thermal rectification is by defect engineering.