Related papers: Simultaneously high electron and hole mobilities i…
By systematically comparing experimental and theoretical transport properties, we identify the polar optical phonon scattering as the dominant mechanism limiting electron mobility in beta-Ga2O3 to lower than 200 cm2/Vs at 300 K for donor…
A fundamental obstacle toward the realization of GaN p-channel transistors is its low hole mobility. Here we investigate the intrinsic phonon-limited mobility of electrons and holes in wurtzite GaN using the ab initio Boltzmann transport…
Phonon-mediated superconductivity is conventionally thought to be capped at a transition temperature $T_{\mathrm{c}}$ no larger than roughly one-tenth of the phonon frequency $\Omega$, a bound rooted in the breakdown of Migdal-Eliashberg…
A thorough understanding of electrical and thermal transport properties of group-III nitride semiconductors is essential for their electronic and thermoelectric applications. Despite extensive previous studies, these transport properties…
We investigate the vibrational, optical, and electronic properties of insulating YbN thin films using Raman spectroscopy, Fourier-transform infrared spectroscopy, and electrical transport measurements, supported by density functional…
In the present work we calculate the phonon-limited mobility in intrinsic n-type single-layer MoS2 as a function of carrier density and temperature for T > 100 K. Using a first-principles approach for the calculation of the electron-phonon…
The discovery of superconductivity in Magnesium Diborate (MgB$_2$) has stimulated great interest in the search of new superconductors with similar lattice structures. Unlike cuprate or iron-based superconductors, MgB$_2$ is indisputably a…
Black phosphorus (BP) has emerged as a promising candidate for next generation electronics and optoelectronics among the 2D family materials due to its extraordinary electrical/optical/optoelectronic properties. Interestingly, BP shows…
Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition metal dichalcogenides MX$_2$ (M=Mo,W; X=S,Se) based on a density functional theory formalism. Due to their structural similarities, all four materials…
The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the relaxation time…
Half-Heusler compounds usually exhibit relatively higher lattice thermal conductivity that is undesirable for thermoelectric applications. Here we demonstrate by first-principles calculations and Boltzmann transport theory that the BiBaK…
The interaction between the electrons and the lattice vibrations in a solid is responsible for various important effects, such as formation of polarons, temperature dependent bandgaps, phonon-limited carrier transport, and conventional…
Conductivities and Hall coefficients of two dimensional hard core bosons are calculated using the thermodynamic expansions of Kubo formulas. At temperatures above the superfluid transition, the resistivity rises linearly and is weakly…
The ultrahigh thermal conductivity of boron arsenide makes it a promising material for next-generation electronics and optoelectronics. In this work, we report measured optical properties of cubic boron arsenide crystals including the…
The first-principles calculations predict a stable biphenylene carbon network (BPN) like the Boron-nitride structure named inorganic biphenylene network (I-BPN). A comparison has been done between BPN and I-BPN to examine the stability of…
While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…
Bose polarons are mobile impurities dressed by density fluctuations of a surrounding degenerate Bose gas. These many-body objects have been realized in ultracold atomic gasses and become a subject of intensive studies. In this work, we show…
We describe a new approach to compute the electron-phonon self-energy and carrier mobilities in semiconductors. Our implementation does not require a localized basis set to interpolate the electron-phonon matrix elements, with the advantage…
High-entropy alloys (HEAs) are at the focus of current research for their diverse properties, including superconductivity and structural polymorphism. However, the polymorphic transition has been observed only in nonsuperconducting HEAs and…
Boron arsenide (BAs) with a zinc blende structure has recently been discovered to exhibit unusual and ultrahigh thermal conductivity (k), providing a new outlook for research on BAs and other high thermal conductivity materials. Technology…