Electron–phonon relaxation at the Au/WSe<sub>2</sub> interface is significantly accelerated by a Ti adhesion layer: time-domain <i>ab initio</i> analysis
Teng-Fei Lu, Shriya Gumber, Marina V. Tokina, John A. Tomko, Patrick E. Hopkins, Oleg V. Prezhdo
Abstract
contribute to electronic properties around the Fermi level. The changes in the relaxation rates are more pronounced for excited electrons compared to holes because both relative and absolute Ti contributions to the electronic properties are larger above than below the Fermi level. The results provide guidance for improving the design of novel and robust materials by optimizing the heat dissipation at metal-semiconductor interfaces.
Topics & Concepts
Materials scienceFermi levelAb initioRelaxation (psychology)Condensed matter physicsPhononHeterojunctionFermi energyExcited stateDensity functional theorySemiconductorAb initio quantum chemistry methodsMicroelectronicsElectronDelocalized electronAtomic physicsNanotechnologyOptoelectronicsChemistryComputational chemistryPhysicsOrganic chemistryQuantum mechanicsMoleculeSocial psychologyPsychologyAdvanced Thermoelectric Materials and DevicesThermal properties of materialsNanowire Synthesis and Applications