Related papers: Engineering Anomalously Large Electron Transport i…
To investigate the transport properties in random alloys, it is important to model the alloy disorder using supercells. Though traditional methods like Virtual Crystal Approximation (VCA) are computationally efficient, the local disorder in…
Using the atomistic nonequilibrium Green's function, we find that thermal conductance of carbon nanotubes with presence of topological lattice imperfects is remarkably reduced, due to the strong Rayleigh scattering of high-frequency…
Characterized by bulk Dirac or Weyl cones and surface Fermi-arc states, topological semimetals have sparked enormous research interest in recent years. The nanostructures, with large surface-to-volume ratio and easy field-effect gating,…
We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…
`Strange' metals that do not follow the predictions of Fermi liquid theory are prevalent in materials that feature superconductivity arising from electron interactions. In recent years, it has been hypothesized that spatial randomness in…
High-field charge transport in semiconductors is of fundamental interest and practical importance. While the \textit{ab initio} treatment of low-field transport is well-developed, the treatment of high-field transport is much less so,…
Achieving a giant anomalous Hall effect (AHE) and enabling its effective tuning are fundamental goals for topological spintronics. Magnetic Weyl semimetals hosting flat bands offer a promising route to maximize the AHE. However, while…
Having the chiral anomaly induced magneto-transport phenomena extensively studied in single Weyl semimetal (WSM) as characterized by topological charge $n=1$, we here address the transport properties in the context of multi-Weyl semimetals…
We report comprehensive studies of the single crystal growth and electrical transport properties for various samples of TaAs, the first experimentally confirmed inversion symmetry-breaking Weyl semimetal. The transport parameters for…
Topological materials are expected to show distinct transport signatures due to their unique band-inversion character and band-crossing points. However, the intentional modulation of such topological responses by experimentally feasible…
Two-dimensional (2D) van der Waals (vdW) materials with lower symmetry (triclinic, monoclinic or orthorhombic) exhibit intrinsic anisotropic in-plane structure desirable for future optoelectronic surface operating devices. Herein, we report…
Ultrathin black phosphorus, or phosphorene, is the second known elementary two-dimensional material that can be exfoliated from a bulk van der Waals crystal. Unlike graphene it is a semiconductor with a sizeable band gap and its excellent…
We compare two crystallographic phases of the low-dimensional WP$_2$ to better understand features of electron-electron and electron-phonon interactions in topological systems. The topological $\beta$-phase, a Weyl semimetal with a giant…
The active manipulation of phonon transport remains a central challenge in phononics and spin caloritronics due to the charge-neutral nature of heat carriers. Spin-phonon coupling (SPC) offers a promising route for the dynamic control of…
We study thermal transport in a chain of coupled atoms, which can vibrate in longitudinal as well as transverse directions. The particles interact through anharmonic potentials upto cubic order. The problem is treated quantum mechanically.…
In materials with strong electron-phonon ($e$-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge transport and its temperature dependence in the polaron…
Direction-dependent charge transport and optical responses are characteristic of van der Waals (vdW) materials with strong in-plane anisotropy. While transition-metal trichalcogenides (TMTCs) exemplify this behavior, heavier analogs remain…
Quantised lattice vibrations (i.e., phonons) in solids are robust and unambiguous fingerprints of crystal structures and of their symmetry properties. In metals and semimetals, strong electron-phonon coupling may lead to so-called Kohn…
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…
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and…