Efficient spin filtering through FeGeTe-based van der Waals heterostructures.

Utilizing simulations, we study the spin-dependent electronic transport characteristics within FeGeTe-based van der Waals heterostructures. The electronic density of states for both free-standing and device-configured FeGeTe (F4GT) confirms its ferromagnetic metallic nature and reveals a weak interface interaction between F4GT and PtTe electrodes, enabling efficient spin filtering. The ballistic transport through a double-layer F4GT with a ferromagnetic configuration sandwiched between two PtTe electrodes is predicted to exhibit an impressive spin polarization of 97% with spin-up electrons exhibiting higher transmission probability than spin-down electrons.

Strong In-Plane Magnetization and Spin Polarization in (CoFe)GeTe/Graphene van der Waals Heterostructure Spin-Valve at Room Temperature.

Van der Waals (vdW) magnets are promising, because of their tunable magnetic properties with doping or alloy composition, where the strength of magnetic interactions, their symmetry, and magnetic anisotropy can be tuned according to the desired application. However, so far, most of the vdW magnet-based spintronic devices have been limited to cryogenic temperatures with magnetic anisotropies favoring out-of-plane or canted orientation of the magnetization. Here, we report beyond room-temperature lateral spin-valve devices with strong in-plane magnetization and spin polarization of the vdW ferromagnet (CoFe)GeTe (CFGT) in heterostructures with graphene.

Manipulation of electrochemical properties of MXene electrodes for supercapacitor applications by chemical and magnetic disorder.

The potential of two-dimensional MXenes as electrodes in supercapacitor applications has been studied extensively. However, the role of chemical and magnetic disorder in their electrochemical parameters, , capacitance, has not been explored yet. In this work, we have systematically addressed this for VMnCO MXene solid solutions with an analysis based upon the results from first-principles electronic structure calculations.

Influence of derived site-dependent hopping parameters on electronic transport in graphene nanoribbons.

Graphene Nano Ribbons (GNRs) have been studied extensively due to their potential applications in electrical transport, optical devices, The Tight Binding (TB) model is a common method used to theoretically study the properties of GNRs. However, the hopping parameters of two-dimensional graphene (2DG) are often used as the hopping parameters of the TB model of GNRs, which may lead to inaccuracies in the prediction of GNRs. In this work, we calculated the site-dependent hopping parameters from density functional theory and construction of Wannier orbitals for use in a realistic TB model.

Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe.

Thermoelectric materials play a vital role in the pursuit of a sustainable energy system by allowing the conversion of waste heat to electric energy. Low thermal conductivity is essential to achieving high-efficiency conversion. The conductivity depends on an interplay between the phononic and electronic properties of the nonequilibrium state.