Beilstein J. Nanotechnol.2019,10, 1658–1665, doi:10.3762/bjnano.10.161
× 105, and it has great application potential in spintronics devices.
Keywords: current-perpendicular-to-plane geometry; Heusler alloy; nonequilibrium Green’s function; spin transport; spintronics; spin valve; Introduction
Since the first theoretical prediction of the halfmetallicity of Heusler
compounds which have a space group of F-43M and chemical formula of X2YZ where the X atom locates at (0, 0, 0) and (0.25, 0.25, 0.25) sites, and the Y and Z atoms sit at (0.5, 0.5, 0.5) and (0.75, 0.75, 0.75 sites [16][17][18]. Half-metallicity has been predicted in Sc2MnSi [19], Ti2RuSn [20], and Ti2NiAl
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Figure 1:
Schematic illustration of a Ti2NiAl/Ag/Ti2NiAl device with different atomic terminated interfaces. ...
Beilstein J. Nanotechnol.2018,9, 1641–1646, doi:10.3762/bjnano.9.156
metal. More precisely, the single-layer XS2 (X = Mo, W) with NO adsorbed on it would behave like a metal in one spin channel while acting as a semiconductor in the other spin orientation. The half-metallicity is robust and independent of the NO concentration. In contrast, no half-metallic feature can be
results also suggest XS2 (X = Mo, W) nanosheets can act as promising nanoscale NO sensors.
Keywords: free radical; half-metallicity; nitric oxide (NO); sensors; spin-polarized; Introduction
Nitrogen oxide (NOx) gases, one of the most common groups of air pollutants, are known as one culprit of acid rain
selectively detect NO by exhibiting half-metallicity after physical adsorption of gas on the surface. For comparison, an investigation of NO2 adsorbed on single-layer XS2 (X = Mo, W) is also presented as both NO and NO2 are free radicals and can introduce magnetic moments to the gas/XS2 (X = Mo, W) system
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Figure 1:
Top and side views of the most favorable NO and NO2 adsorption configurations on monolayers of MoS2...