In this study, we design seven stable phases of As0.25P0.75 and As0.75P0.25, focusing on their electrical and thermal properties through first-principles calculations.
Because of their unusual electrical
and magnetic properties, half-metals
are well suited for sophisticated nanoscale spintronics applications.
We examine the electronic structure, spin transport properties, and
thermal spin-related transport properties of Mn2NT2 (TO, F) monolayers by using the first principles,
inspired by the recently published two-dimensional (2D) MXene family
with diverse electronic properties. In addition, the constructed Mn2NO2/Ti2CO2/Mn2NO2 and Mn2NF2/Ti2CO2/Mn2NF2 devices exhibit bias-dependent
100% spin filtering effects. The Mn2NF2/Ti2CO2/Mn2NF2 device exhibits
up to a tunneling magnetoresistance effect of 109% and
thermally induced magnetoresistance effect of 1014% under
temperature-driven conditions, with the thermally induced magnetoresistance
also being the highest ratio available in 2D material-based in-plane
magnetic tunnel junctions (MTJs). 2D Mn2NT2 is
a viable option for spintronics applications due to its high Curie
temperature, excellent spin transport, and thermal spin-dependent
transport, which will promote extensive research on such highly spin-polarized
2D nanosystems.
Recently, black arsenic phosphorus (b-AsP) have become a hot topic of two-dimensional materials research due to their high carrier mobility, tunability of band gap in a wide range and excellent in-plane anisotropy. In this work, we use first-principle calculations to study structural and electromagnetic properties of b-AsP with adsorbed nonmetal atoms such as B, C, N, O and F. Taking into account a great difference in the electromagnetic properties induced by adsorption of different kinds of nonmetal atoms on b-AsP, several rectifying device models are formulated. Analysis and calculations have demonstrated that the device consisting of an N atom adsorbed on b-AsP has a rectification ratio (RR) of 105 and a negative differential resistance (NDR). According to our results, N-doped b-AsP can be used as a two-dimensional molecular rectifier and spin filter.
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