Related papers: Efficient calculation of carrier scattering rates …
We show that by computing the electron-impurity scattering rate at the first order via Fermi's golden rule, and assuming that the localized impurity potential is of Yukawa form, one obtains a wave vector transfer distribution which is…
We present a fast and stable numerical technique to obtain the self-energy terms of electrodes for first-principles electron-transport calculations. Although first-principles calculations based on the real-space finite-difference method are…
We construct a scattering theory of weakly nonlinear thermoelectric transport through sub-micron scale conductors. The theory incorporates the leading nonlinear contributions in temperature and voltage biases to the charge and heat…
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
I present a highly efficient integration method for scattering calculations, and a ``partial rate matrix'' that encodes the scattering rate as a function of the $SO(3)$ orientation of the detector. This replaces the original…
The scattering of electrons with polar optical phonons (POP) is an important mechanism that limits electronic transport and determines electron mobility in polar materials. This is typically a stronger mechanism compared to non-polar…
First-principles techniques for electronic transport property prediction have seen rapid progress in recent years. However, it remains a challenge to model heterostructures incorporating variability due to fabrication processes.…
Lectures deal with the theory of electronic transport, in particular with the electrical conductivity, in systems dominated by strong electron-electron repulsion. The concept of charge stiffness is introduced to distinguish conductors and…
Laser irradiation of materials is most commonly modeled with the two-temperature model (TTM), or its combination with molecular dynamics, TTM-MD. For such modeling, the electronic transport coefficients are required. Here, we calculate the…
Two-dimensional (2D) crystalline semiconductors hold promise for next-generation electronic devices due to its atomical thickness and consequent properties. Despite years of search, literature-reported 2D semiconductors commonly suffered…
We calculate numerically the electrical conductivity $\sigma$, heat conductivity $\kappa$ and shear viscosity $\eta$ of the hot plasma present in the early universe for the temperature interval $1\MeV\lsim T\lsim 10\GeV$. We use the…
Interfaces between dissimilar materials control the transport of energy in a range of technologies including solar cells (electron transport), batteries (ion transport), and thermoelectrics (heat transport). Advances in computer power and…
We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles.…
The half-Heusler (hH) compounds are currently considered promising thermoelectric (TE) materials due to their favorable thermopower and electrical conductivity. Accurate estimates of these properties are therefore highly desirable and…
In many physical situations in which many-body assemblies exist at temperature $T$, a characteristic quantum-mechanical time scale of approximately $\hbar/k_{B}T$ can be identified in both theory and experiment, leading to speculation that…
We study light transport in phosphor plates of white light-emitting diodes (LEDs). We measure the broadband diffuse transmission through phosphor plates of varying YAG:Ce$^{3+}$ density. We distinguish the spectral ranges where absorption,…
In this work we propose a channel backscattering model in which increased carrier temperature at the top of the potential energy barrier in the channel is taken into account. This model represents an extension of a previous model by the…
Spintronics, or spin electronics, involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. This article reviews the current status of this subject, including both recent advances and…
First principles calculations are used to investigate electronic band structure and vibrational spectra of pnictogen substituted ternary skutterudites. We compare the results with the prototypical binary composition CoSb$_3$ to identify the…