High-pressure has been widely utilized to improve material performances such as thermal conductiv-ityκand interfacial thermal conductance G.Gallium arsenide(GaAs)as a functional semiconductor has attracted extensive ...High-pressure has been widely utilized to improve material performances such as thermal conductiv-ityκand interfacial thermal conductance G.Gallium arsenide(GaAs)as a functional semiconductor has attracted extensive attention in high-pressure studies for its technological importance and complex structure transitions.Thermal properties of GaAs under high pressure are urgent needs in physics but remain elusive.Herein,we systematically investigateκGaAs and G Al/GaAs of multi-structure up to -23 GPa.We conclude that:(1)in pressurization,phonon group velocity,lattice defects,and electrons play a central role inκGaAs in elastic,plastic,and metallization regions,respectively.The increased phonon density of states(PDOS)overlap,group velocity,and interfacial bonding enhances G Al/GaAs.(2)In depressurization,electrons remain the dominant factor on κ GaAs from 23 to 13.5 GPa.G Al/GaAs increases dramatically at -12 GPa due to the larger PDOS overlap.With decompressing to ambient,lattice defects including grain size reduction,arsenic vacancies,and partial amorphization reduce κ GaAs to a glass-like value.Remarkably,the released G Al/GaAs is 2.6 times higher than that of the initial.Thus our findings open a new dimension in synergistically realizing glass-like κ and enhancing G,which can facilitate thermoelectric performance and its potential engineering applications.展开更多
基金financially supported by the National Natural Science Foundation of China(Nos.51720105007,51976025,and 52206219)the Fundamental Research Funds for the Central Universities(No.DUT22ZD216).
文摘High-pressure has been widely utilized to improve material performances such as thermal conductiv-ityκand interfacial thermal conductance G.Gallium arsenide(GaAs)as a functional semiconductor has attracted extensive attention in high-pressure studies for its technological importance and complex structure transitions.Thermal properties of GaAs under high pressure are urgent needs in physics but remain elusive.Herein,we systematically investigateκGaAs and G Al/GaAs of multi-structure up to -23 GPa.We conclude that:(1)in pressurization,phonon group velocity,lattice defects,and electrons play a central role inκGaAs in elastic,plastic,and metallization regions,respectively.The increased phonon density of states(PDOS)overlap,group velocity,and interfacial bonding enhances G Al/GaAs.(2)In depressurization,electrons remain the dominant factor on κ GaAs from 23 to 13.5 GPa.G Al/GaAs increases dramatically at -12 GPa due to the larger PDOS overlap.With decompressing to ambient,lattice defects including grain size reduction,arsenic vacancies,and partial amorphization reduce κ GaAs to a glass-like value.Remarkably,the released G Al/GaAs is 2.6 times higher than that of the initial.Thus our findings open a new dimension in synergistically realizing glass-like κ and enhancing G,which can facilitate thermoelectric performance and its potential engineering applications.
