Abstract
It is well known that the physics of thermal management is quite challenging as electronic device sizes are miniaturized and new materials are developed. This study calculates the thermal interface conductance (TIC), thermal interface resistance (TIR) and thermal grain conductivity across GaAs(110)/GaAs(100) and GaAs/InAs interfaces using the reverse non-equilibrium molecular dynamics (RNEMD) technique. Data obtained showed that, at GaAs(110)/GaAs(100) the TIC increased from 0.912 x 10-9 (W/K) to 1.433 x 10-9 (W/K), the TIR decreased from 1.096 x 109 (K/W) to 0.697 x 109 (K/W) between 300 K and 1000 K, and the thermal grain conductivity increased from 7.47 (W/mK) to 15.52 (W/mK) and 7.48 (W/mK) to 80.71 (W/mK) between 15 Å and 55 Å at 300 K. At GaAs/InAs interface the TIC increased from 7.228 x -10 (W/K) to 14.498 x 10-10 (W/K) and the TIR decreased from 0.138 x 1010 (K/W) to 0.068 x 1010 (K/W) between 300 K and 700 K, respectively. It was observed that, as temperature is increased the TIC and TIR for both materials change significantly. This trend is consistent with previous molecular dynamic studies of interface materials.Keywords: Interface conductance, thermal resistance, grain conductivity, temperature.
Highlights
Optoelectronics is quite challenging as device sizes are miniaturized and new materials are developed (Goddard et al, 2012; Simon and Alan, 2005; Ferainet al., 2011; Schelling et al, 2005; Nenuwe, 2018)
There is no information on the thermal interface conductance, thermal interface resistance and thermal grain conductivity of gallium arsenide (GaAs)(110)/GaAs(100) and GaAs/indium arsenide (InAs) in the literature
In order to carry out the reverse non-equilibrium molecular dynamics (RNEMD) simulation, the QuantumATK is used to generate gallium arsenide (GaAs) and indium arsenide (InAs) crystal grains in the (110) and (100) crystallographic orientations
Summary
Optoelectronics is quite challenging as device sizes are miniaturized and new materials are developed (Goddard et al, 2012; Simon and Alan, 2005; Ferainet al., 2011; Schelling et al, 2005; Nenuwe, 2018). The thermal interface conductance and thermal interface resistance vary significantly depending on the fabrication method and types of materials used for multilayer thin-film devices. The determination of these properties between different materials is critical to both the design and selection of new materials and fabrication techniques. Understanding the temperature dependence of thermal properties at material interfaces is critical to further engineer thermal conductance in micro/nano/optoelectronic devices. For this purpose, it has become worldwide interest in the study and determination of thermal transport properties of interfaces between different materials. We use the reverse non-equilibrium molecular dynamics technique to calculate the thermal interface conductance, resistance and thermal grain conductivity across GaAs(110)/GaAs(100) and GaAs/InAs interfaces
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