Related papers: Finite temperature optoelectronic properties of BA…

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…

We compute the electronic band structure and optical properties of boron arsenide using the relativistic quasiparticle self-consistent $GW$ approach, including electron-hole interactions through solution of the Bethe-Salpeter equation. We…

Boron phosphide has recently been identified as a potential high hole mobility transparent conducting material. This promise arises from its low hole effective masses. However, BP has a relatively small 2 eV indirect band gap which will…

Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room temperature. Nevertheless most {\it ab-initio} studies are…

Discovering new materials with ultrahigh thermal conductivity has been a critical research frontier and driven by many important technological applications ranging from thermal management to energy science. Here we have rigorously…

Gallium oxide (Ga$_2$O$_3$) has attracted significant interest for its unique potential especially in power electronics. However, its low and anisotropic thermal conductivity poses a major challenge for heat dissipation. Here, we explore an…

Probing phonons, quasi-particle excitations and their coupling has enriched our understanding of these 2D materials and proved to be crucial for developing their potential applications. Here, we report comprehensive temperature, 4-330 K,…

Cubic boron arsenide (c-BAs) has been theoretically predicted to exhibit thermal conductivity \k{appa} comparable to that of diamond, yet experimental measurements have plateaued at ~1300W/mK. We report room-temperature \k{appa} exceeding…

Recently, boron arsenide (BAs) has been measured high thermal conductivity in the experiments, great encouraging for the low-power photoelectric devices. Therefore, in the present work, we have systematically investigated the direct and…

Using density functional theory calculations with spin-orbit coupling (SOC), we report on the temperature-dependent thermodynamical properties of Pb: electrical resistivity, thermal expansion (TE), heat capacity, bulk modulus and its…

We report a Raman study of the effect of temperature on the self-energies of optical phonons in a number of transition metals with hexagonal-close-packed structure. Anisotropic softening of phonon energies and narrowing of phonon linewidths…

Heat management becomes more and more critical, especially in miniaturized modern devices, so the exploration of highly thermally conductive materials with electrical insulation and favorable mechanical properties is of great importance.…

With a terahertz time-domain spectrometer (0.3 - 3.0 THz) we have measured the optical conductivity of the type-I clathrate Ba$_8$Ga$_{16}$Sn$_{30}$ at temperatures from 300 K down to 7 K. Independent six spectra superimposed on the Drude…

Most recently the formation of boron monoxide (BO) in the two-dimensional (2D) form has been confirmed experimentally (J. Am. Chem. Soc. 2023, 145, 14660). Motivated by the aforementioned finding, herein we theoretically explore the key…

The electronic and phonon transport properties of graphene-like boron phosphide (BP), boron arsenide (BAs), and boron antimonide (BSb) monolayers are investigated using first-principles calculations and Boltzmann theory. By considering both…

Through first-principles calculations, the phonon-limited transport properties of cubic boron-V compounds (BP, BAs and BSb) are studied. We find that the high optical phonon frequency in these compounds leads to the substantial suppression…

The promise enabled by BAs high thermal conductivity in power electronics cannot be assessed without taking into account the reduction incurred when doping the material. Using first principles calculations, we determine the thermal…

Conventional approaches for modulating thermal conductivity usually rely on structural modifications and therefore cannot achieve reversible in situ regulation. Targeted phonon excitation has recently emerged as a promising strategy for…

By way of the nonequilibrium Green's function simulations and first principles calculations, we report that borophene, a single layer of boron atoms that was fabricated recently, possesses an extraordinarily high lattice thermal conductance…

The perovskite BaSnO$_3$ provides a promising platform for the realization of an earth abundant $n$-type transparent conductor. Its optical properties are dominated by a dispersive conduction band of Sn $5s$ states, and by a flatter valence…