Related papers: Magneto-transport phenomena in p-doped diamond fro…
We demonstrate a first-principles method to study magnetotransport in materials by solving the Boltzmann transport equation (BTE) in the presence of an external magnetic field. Our approach employs ab initio electron-phonon interactions and…
We have measured the resistivity and the Seebeck coefficient of a MgB2 sintered sample. The temperature dependence of resistivity is fitted well by a generalized Bloch-Gruneisen equation with a Debye temperature of 1050 K. The Seebeck…
We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary…
Among all materials, mono-crystalline diamond has one of the highest measured thermal conductivities, with values above 2000 W/m/K at room temperature. This stems from momentum-conserving `normal' phonon-phonon scattering processes…
We develop a Boltzmann transport theory of coupled magnon-phonon transport in ferromagnetic insulators. The explicit treatment of the magnon-phonon coupling within the Boltzmann approach allows us to calculate the low-temperature…
We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…
Diamond is one of the most studied materials because of its unique combination of remarkable electrical, mechanical, thermal and optical properties. Using a fully self-consistent ab initio theory of coupled electron-phonon transport, we…
We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…
We present a combined treatment of the non-equilibrium dynamics and transport of electrons and phonons by carrying out \textit{ab initio} calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the…
We study electrical and thermal conductivities of degenerate electrons emitting and absorbing phonons in a strongly magnetized crystalline neutron star crust. We take into account modification of the phonon spectrum of a Coulomb solid of…
Motivated by thermal conductivity experiments in spin chain compounds, we propose a phenomenological model to account for a ballistic magnetic transport coupled to a diffusive phononic one, along the line of the seminal two-temperature…
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…
We propose a new method for accurately calculating electrical transport properties of a lightly-doped thermoelectric material from density functional theory (DFT) calculations, based on experimental data and density functional theory…
The observation of strong and tunable spin-orbit interaction (SOI) in surface conducting diamond opens up a new avenue for building diamond-based spintronics. Herein we provide a comprehensive method to analyze the magnetotransport behavior…
We study the electric and thermal transport of the Dirac carriers in monolayer graphene using the Boltzmann-equation approach. Motivated by recent thermopower measurements [F. Ghahari, H.-Y.~Xie, T. Taniguchi, K. Watanabe, M.~S.~Foster, and…
We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…
By combining the electronic structures obtained from first principles calculations with Boltzmann transport theory we have investigated the electronic, magnetic and transport properties of Co$_{2}$MnGe Heusler compound. The density of…
We study charge and heat transport from first-principles in the topological Weyl semimetal TaAs. Electron-phonon coupling matrix elements are calculated using density functional perturbation theory and used to derive the thermo-electric…
While the thermoelectric figure of merit zT above 300K has seen significant improvement recently, the progress at lower temperatures has been slow, mainly limited by the relatively low Seebeck coefficient and high thermal conductivity. Here…
Transfer characteristics of p-doped graphene/monolayer-MoS2 heterostructure at 300 K are measured experimentally and analyzed based on a model calculation. In the model, we first discretize the Poisson equation (PE) into multiple zones. In…