First principle study of temperature-dependent spin transport in VSe2 monolayer

Abstract

An applicable use of a linear combination of atomic orbitals (LCAO) based density functional theory (DFT) together with non-equilibrium Green’s function (NEGF) is performed for investigating the dependence of temperature on spin-resolved transport characteristics of electron in magnetic Vanadium Diselenide (VSe2) monolayer. To know the dependence of heat (temperature) on spin Seebeck effect and spin filtration, important factors like transmission spectrum and spin-resolved current are calculated. Approximately 100% spin injection efficiency is attained in the low-temperature gradient. Low temperature (TL) of cold (left) electrode with respect to high temperature (TR) of hot (right) electrode leads to a smaller spin injection efficiency. Giant thermal magnetoresistance around 3.936 × 103% is achieved and this giant thermal magnetoresistance is directly proportional to the difference between the temperature of right and left electrode (ΔT). This resultant thermal magnetoresistance is also dependent on TL. A large value of temperature gradient based magnetoresistance (MR) and magnificent temperature gradient based spin filtration have been achieved for VSe2 monolayer advocates the useful application of this compound in the area of spin caloritronic.