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http://dx.doi.org/10.1103/PhysRevLett.63.907 | DOI Listing |
Phys Rev Lett
December 2024
Massachusetts Institute of Technology, Research Laboratory of Electronics, Cambridge, Massachusetts 02139, USA.
Classical transport of electrons and holes in nanoscale devices leads to heating that severely limits performance, reliability, and efficiency. In contrast, recent theory suggests that interband quantum tunneling and subsequent thermalization of carriers with the lattice results in local cooling of devices. However, internal cooling in nanoscale devices is largely unexplored.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
National University of Singapore, Department of Materials Science and Engineering, 9 Engineering Drive 1, Singapore 117575.
By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Chalmers University of Technology, Department of Physics, 412 96 Göteborg, Sweden.
The phonon inverse Faraday effect describes the emergence of a dc magnetization due to circularly polarized phonons. In this work we present a microscopic formalism for the phonon inverse Faraday effect. The formalism is based on time-dependent second order perturbation theory and electron phonon coupling.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes) - UMR 6251, F-35000 Rennes, France.
An accurate potential energy model, explicitly designed for studying scattering and treating the spin-orbit and nonadiabatic couplings on an equal footing, is proposed for the S + Ar system. The model is based on the Effective Relativistic Coupling by Asymptotic Representation (ERCAR) approach, building the geometry dependence of the spin-orbit interaction a diabatisation scheme. The resulting full diabatic model is used in close-coupling calculations to compute inelastic scattering cross sections for de-excitation from the S(D) fine structure level into the P multiplet.
View Article and Find Full Text PDFMater Horiz
January 2025
Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA.
It is difficult to intuit how electronic structure features-such as band gap magnitude, location of band extrema, effective masses, -arise from the underlying crystal chemistry of a material. Here we present a strategy to distill sparse and chemically-interpretable tight-binding models from density functional theory calculations, enabling us to interpret how multiple orbital interactions in a 3D crystal conspire to shape the overall band structure. Applying this process to silicon, we show that its indirect gap arises from a competition between first and second nearest-neighbor bonds-where second nearest-neighbor interactions pull the conduction band down from Γ to X in a cosine shape, but the first nearest-neighbor bonds push the band up near X, resulting in the characteristic dip of the silicon conduction band.
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