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Using the semiclassical quantum Boltzmann equation (QBE), we numerically calculate the DC transport properties of bilayer graphene near charge neutrality. We find, in contrast to prior discussions, that phonon scattering is crucial even at…
Recent studies demonstrate that novel 2D triphosphides semiconductors possess high carrier mobility and promising thermoelectric performance, while the carrier transport behaviors in 2D semimetal triphosphides have never been elucidated…
We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…
The effects of very low temperature on the electron transport in a [110] and [100] axially aligned unstrained silicon nanowires (SiNWs) are investigated. A combination of semi-empirical 10-orbital tight-binding method, density functional…
Using the semiclassical quantum Boltzmann theory and employing the Dirac model with twist angle-dependent Fermi velocity we obtain results for the electrical resistivity, the electronic thermal resistivity, the Seebeck coefficient, and the…
We examine anharmonic contributions to the optical phonon modes in bulk $T_d$-MoTe$_2$ through temperature-dependent Raman spectroscopy. At temperatures ranging from 100 K to 200 K, we find that all modes redshift linearly with temperature…
Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a first-principles approach to compute e-ph scattering and…
Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…
Many metallic quantum materials display anomalous transport phenomena that defy a Fermi liquid description. Here, we use numerical methods to calculate thermal and charge transport in the doped Hubbard model and observe a cross-over…
Studying charge transport in models with nonlocal carrier--phonon interaction is difficult because it requires finite-temperature real-time correlation functions of mixed carrier--phonon operators. Focusing on models with discrete undamped…
The Wiedemann-Franz (WF) law links the ratio of electronic charge and heat conductivity to fundamental constants. It has been tested in numerous solids, but the extent of its relevance to the anomalous transverse transport, which represents…
We derive the electrical and thermal conductivities of the $d$-density-wave state in an external magnetic field $B$ in the low-temperature regime and in the presence of impurities. We show that in the zero-temperature limit, $T \to 0$, the…
Bulk 1T$^\prime$-MoTe$_2$ shows a structural phase transition from 1T$^\prime$ to Weyl semimetallic (WSM) $ T_{d} $ phase at $\sim$ 240 K. This phase transition and transport properties in the two phases have not been investigated on…
The thermal conductivities of pristine and defective tungsten diselenide (WSe2) are investigated by using equilibrium molecular dynamics method. The thermal conductivity of WSe2 increases dramatically with size below a characteristic with…
We consider a transmission of electrons through a two-dimensional ballistic point contact in the low-conductance regime below the 0.7-anomaly. The scattering of electrons by Friedel oscillations of charge density results in a contribution…
We report measurements of in-plane electrical and thermal transport properties in the limit $T \rightarrow 0$ near the unconventional quantum critical point in the heavy-fermion metal $\beta$-YbAlB$_4$. The high Kondo temperature $T_K$…
We present systematic theoretical results on thermoelectric effects in semimetals based on the variational method of the linearized Boltzmann equation. Inelastic electron-hole scattering is known to play an important role in the unusual…
This work demonstrates a first-principles-based approach to obtaining finite temperature thermal and electronic transport properties which can be employed to model and understand mesoscale structural evolution during electronic, magnetic,…
We study both the electrical and thermal transport near the heavy-fermion quantum critical point (QCP), identified with the breakdown of the Kondo effect as an orbital selective Mott transition. We show that the contribution to the…
We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…