相关论文: Experimental Observation of Extremely Strong Defec…
High-purity cubic silicon carbide possesses the second-highest thermal conductivity among large-scale crystals, surpassed only by diamond, making it crucial for practical applications of thermal management. Recent theoretical studies…
Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but…
The mechanisms causing the reduction in lattice thermal conductivity in highly P- and B-doped Si are looked into in detail. Scattering rates of phonons by point defects, as well as by electrons, are calculated from first principles. Lattice…
We study the effect of doping on the electron-phonon interaction and on the phonon frequencies in doped semiconductors, taking into account the screening in presence of free carriers at finite temperature. We study the impact of screening…
Recent studies demonstrate that novel 2D triphosphides semiconductors possess high carrier mobility and promising thermoelectric performance, while the carrier transport behaviors in 2D semimetal triphosphides have never been elucidated…
With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning…
First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…
We examine an effect of acoustic phonon scattering on an electric conductivity of single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band by applying the previous…
We study within a first-principle approach the band structure, vibrational modes and electron-phonon coupling in boron, aluminum and phosphorus doped silicon in the diamond phase. Our results provide evidences that the recently discovered…
Temperature and composition dependences of high-energy longitudinal optical (LO) phonons in YBa2Cu3O{6+x}, studied by inelastic neutron scattering measurements, provide clear evidence for temperature dependent spatial inhomogeneity of doped…
The minimization of electronics makes heat dissipation of related devices an increasing challenge. When the size of materials is smaller than the phonon mean free paths, phonons transport without internal scatterings and laws of diffusive…
The weak-coupling quantum phase diagrams of the one-dimensional (1D) Holstein-Hubbard and Peierls-Hubbard models are computed near half-filling, using a multi-step renormalization group technique. If strong enough, the electron-phonon…
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…
We use ab-initio calculations to predict the thermal conductivity of cubic SiC with different types of defects. An excellent quantitative agreement with previous experimental measurements is found. The results unveil that B$_\mathrm{C}$…
We investigate the dispersion and temperature dependence of a number of phonons in the recently discovered superconductor CaC6 utilizing inelastic x-ray scattering. Four [00L] and two ab-plane phonon modes are observed, and measured at…
Doping of semiconductors is essential in modern electronic and photonic devices. While doping is well understood in bulk semiconductors, the advent of carbon nanotubes and nanowires for nanoelectronic and nanophotonic applications raises…
The FeSe-based superconductors exhibit a wide range of critical temperature Tc under a variety of material and physical conditions, but extensive studies to date have yet to produce a consensus view on the underlying mechanism. Here we…
With the best overall electronic and thermal properties, single-crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning…
We examine the effect of acoustic phonon scattering on the conductivity of two-dimensional Dirac electrons. The temperature ($T$) dependence of the conductivity ($\sigma$) is calculated using the electron Green's function with damping by…
A thorough understanding of the microscopic picture of heat conduction in solids is critical to a broad range of applications, from thermal management of microelectronics to more efficient thermoelectric materials. The transport properties…