No Arabic abstract
We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with Generalized Gradient Approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the Meta-Generalized Gradient Approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium Greens function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gap, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.
We calculate an electron-phonon scattering and intrinsic transport properties of black phosphorus monolayer using tight-binding and Boltzmann treatments as a function of temperature, carrier density, and electric field. The low-field mobility shows weak dependence on density and, at room temperature, falls in the range of 300 - 1000 cm^2/Vs in the armchair direction and 50 - 120 cm^2/Vs in the zig-zag direction with the anisotropy due to an effective mass difference. At high fields, drift velocity is linear with electric field up to 1 - 2 V/micron reaching values of 10^7 cm/s in the armchair direction, unless self-heating effects are included.
We present polarization-resolved transient transmission measurements on multi-layer black phosphorus. Background free two-color pump-probe spectroscopy measurements are carried out on mechanically exfoliated black phosphorus flakes that have been transferred to a large-bandgap, silicon carbide substrate. The blue-shifted pump pulse (780 nm) induces an increased transmission of the probe pulse (1560 nm) over a time scale commensurate with the measurement resolution (hundreds of fs). After the initial pump-induced transparency, the sign of the transient flips and a slower enhanced absorption is observed. This extended absorption is characterized by two relaxation time scales of 180 ps and 1.3 ns. The saturation peak is attributed to Pauli blocking while the extended absorption is ascribed to a Drude response of the pump-induced carriers. The anisotropic carrier mobility in the black phosphorus leads to different weights of the Drude absorption, depending on the probe polarization, which is readily observed in the amplitude of the pump-probe signals.
We describe a theoretical approach for spin-polarized hot-electron transport, as it occurs after excitation by ultrafast optical pulses in heterostructures formed by ferromagnetic and normal metals. We formulate a spin-dependent particle-in-cell model that solves the Boltzmann equation for excited electrons. It includes lifetimes and transmission coefficients as parameters, which can be taken from ab-initio calculations or experiment, and can be easily extended to multilayer systems. This approach is capable of describing electron transport in the ballistic, super-diffusive and diffusive regime including secondary-carrier generation. We apply the model to optically excited carriers in Fe/Au bilayers and Fe/Au/Fe spin-valve structures. We gain microscopic insight into the hot-electron transport dynamics probed in recent experiments on spin-valves. We find contributions to the demagnetization dynamics induced in Fe/Au/Fe trilayers regardless of the parallel or antiparallel magnetic alignment of the Fe layers.
We found that the electronic transport property of SnSe single crystals was sensitive to oxygen content. Semiconducting SnSe single crystals were obtained by using Sn of grain form as a starting material while powder Sn resulted in metallic SnSe. X-ray photoelectron spectroscopy analysis revealed that the surfaces of raw Sn were oxidized, where the volume fraction was relatively low in grain Sn. This demonstrates that contamination of oxygen causes metallic behavior in grown SnSe single crystals.
The finite-temperature transport properties of FeRh compounds are investigated by first-principles Density Functional Theory-based calculations. The focus is on the behavior of the longitudinal resistivity with rising temperature, which exhibits an abrupt decrease at the metamagnetic transition point, $T = T_m$ between ferro- and antiferromagnetic phases. A detailed electronic structure investigation for $T geq 0$ K explains this feature and demonstrates the important role of (i) the difference of the electronic structure at the Fermi level between the two magnetically ordered states and (ii) the different degree of thermally induced magnetic disorder in the vicinity of $T_m$, giving different contributions to the resistivity. To support these conclusions, we also describe the temperature dependence of the spin-orbit induced anomalous Hall resistivity and Gilbert damping parameter. For the various response quantities considered the impact of thermal lattice vibrations and spin fluctuations on their temperature dependence is investigated in detail. Comparison with corresponding experimental data finds in general a very good agreement.