Two-dimensional
(2D) intrinsic half-metallic materials with room-temperature
ferromagnetism, sizable magnetic anisotropy energy (MAE), and wide
half-metallic gap are excellent candidates for pure spin generation,
injection, and transport in nanospintronic applications. However,
until now, such 2D half metallicity has been rarely observed in experiment.
In this work, by using first-principles calculations, we design a
series of such materials, namely, Mn2X3 (X =
S, Se, Te) nanosheets, which could be obtained by controlling the
thickness of synthesized α-MnX(111) nanofilm to a quintuple
X–Mn–X–Mn–X layer. All these nanosheets
are dynamically and thermally stable. Electronic and magnetic studies
reveal they are intrinsic half metals with high Curie temperatures
between 718 and 820 K, sizable MAEs with −1.843 meV/Mn for
Mn2Te3 nanosheet, and wide half-metallic gaps
from 1.55 to 1.94 eV. Above all, the outstanding features of Mn2X3 nanosheets make them promising in fabricating
nanospintronic devices working at room temperature.
Based on first-principles calculations, the evolution of hybrid interface states (HISs) from a single spinterface to a magnetic molecular junction and their contribution to the spindependent electron transport are investigated. It is demonstrated that the spin polarization of HISs may be conserved or eliminated by relying on the spin configuration of the electrodes. By comparing the results of 1,4-benzene-dithiolate (1,4-BDT) and 1,3-benzene-dithiolate (1,3-BDT) magnetic junctions, the transport calculations explore two entirely different transmission abilities of HISs. An efficient transmission close to 1 is achieved for the 1,4-BDT junction while a strongly suppressed one (~0.1) is achieved for the 1,3-BDT junction. An apparent enhancement of magnetoresistance by HISs is realized in the 1,4-BDT junction. The intrinsic mechanism is revealed by analyzing the transmission pathway and interfacial structures. This work indicates the promising prospect of HISs in improving the performance of molecular spintronic devices in the case of suitable interfacial designs.
Understanding the spinterface between magnetic electrode and molecule, and realizing controllable spin filtering effect are crucial for the development of high-performance molecular devices, but still face a big challenge. Here,...
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