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The ab-initio theory of low-field electronic transport properties such as carrier mobility in semiconductors is well-established. However, an equivalent treatment of electronic fluctuations about a non-equilibrium steady state, which are readily probed experimentally, remains less explored. Here, we report a first-principles theory of electronic noise for warm electrons in semiconductors. In contrast with typical numerical methods used for electronic noise, no adjustable parameters are required in the present formalism, with the electronic band structure and scattering rates calculated from first-principles. We demonstrate the utility of our approach by applying it to GaAs and show that spectral features in AC transport properties and noise originate from the disparate time scales of momentum and energy relaxation, despite the dominance of optical phonon scattering. Our formalism enables a parameter-free approach to probe the microscopic transport processes that give rise to electronic noise in semiconductors.
Out-of-plane vibrations are considered as the dominant factor limiting the intrinsic carrier mobility of suspended two-dimensional materials at low carrier concentrations. Anharmonic coupling between in-plane and flexural phonon modes is usually excl
We investigated low-frequency current fluctuations, i.e. noise, in the quasi-two-dimensional (2D) van der Waals antiferromagnetic semiconductor FePS3 with the electronic bandgap of 1.5 eV. The electrical and noise characteristics of the p-type, highl
We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110). The molecule-substrate interaction is d
We present first-principles electronic structure calculations of Mn doped III-V semiconductors based on the local spin-density approximation (LSDA) as well as the self-interaction corrected local spin density method (SIC-LSD). We find that it is cruc
We have given a summary on our theoretical predictions of three kinds of topological semimetals (TSMs), namely, Dirac semimetal (DSM), Weyl semimetal (WSM) and Node-Line Semimetal (NLSM). TSMs are new states of quantum matters, which are different wi