Related papers: Bulk electronic properties of diamond
A comparative study of thermal properties of SmFeAsO, SmFeAs(O0.93F0.07) and SmFeAs(O0.85F0.15) samples is presented. Specific heat and thermal conductivity show clear evidences of the spin density wave (SDW) ordering below TSDW 135 K in…
Electron- and hole-doped La$_2$CoMnO$_6$(LCMO) are investigated using first principles DFT calculations. Hole and electron doping are achieved respectively by introducing Sr$^{2+}$ at La$^{3+}$ sites and by inducing O-site vacancies in…
Electron--phonon (e--ph) coupling governs electrical resistivity, hot-carrier cooling, and critically, thermal transport in solids. Recent first-principles advances now predict e--ph limited thermal conductivity from d-band metals and…
We employ density functional theory to investigate the thermoelectric properties of electron and hole doped PtSb$_2$. Our results show that for doping of 0.04 holes per unit cell (1.5$\times10^{20}$ cm$^{-3}$) PtSb$_2$ shows a high Seebeck…
We report the electronic properties of the NdNiO3, prepared at the ambient oxygen pressure condition. The metal-insulator transition temperature is observed at 192 K, but the low temperature state is found to be less insulating compared to…
This study presents a computational investigation of X4H15 compounds (where X represents a metal) as potential superconductors at ambient conditions or under pressure. Through systematic density functional theory calculations and…
We study the temperature dependence of the conductivity of the 2D electronic solid. In realistic samples, a domain structure forms in the solid and each domain randomly orients in the absence of the in-plane field. At higher temperature,…
Dilute magnetic semiconductors (DMS) are nonmagnetic semiconductors doped with magnetic transition metals. The recently discovered DMS material (Ba$_{1-x}$K$_{x}$)(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ offers a unique and versatile control of…
A variational Monte Carlo calculation is used for studying the ground state of the two-dimensional Hubbard model, including hopping between both nearest and next-nearest neighbor sites. Superconductivity with d-wave symmetry is found to be…
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…
The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modelling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using…
Measurements of the low-frequency (f<= 100 kHz) permittivity at T<= 160 K and dc resistivity (T<= 430 K) are reported for La(1-x)Ca(x)MnO(3) (0<= x<= 0.15). Static dielectric constants are determined from the low-T limiting behavior of the…
The coupling between the intramolecular vibrational modes and the doped conduction electrons in $M_3C_{60}$ is studied by a calculation of the electronic contributions to the phonon self energies. The calculations are carried out for an…
Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Recently, however, some peculiar doping characteristics were…
The transition metal nitride BaHfN$_2$, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which have impressive superconducting T$_c$ when electron doped:…
We simulate dopant profiles for phosphorus implantation into silicon using a new model for electronic stopping power. In this model, the electronic stopping power is factorized into a globally averaged effective charge Z1*, and a local…
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…
The tuning black phosphorene properties such as structural, electronic, transport are explored via substitutional C-doped. We employed density functional theory (DFT) calculations in combination with non-equilibrium Green's function (NEGF)…
Allotropes of carbon, such as diamond and graphene, are among the best conductors of heat. We monitored the evolution of thermal conductivity in thin graphite as a function of temperature and thickness and found an intimate link between…
Correlated electron materials (CEMs) host a rich variety of condensed matter phases. Vanadium dioxide (VO2) is a prototypical CEM with a temperature-dependent metal-to-insulator (MIT) transition with a concomitant crystal symmetry change.…