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Register a new userTunable Magnetism and Half-Metallicity in Hole-doped Monolayer GaSe
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We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0 $mu_{rm{B}}$/carrier in a range of $3times 10^{13}$/cm$^{2}$-$1times 10^{14}$/cm$^{2}$ with the system in a half-metal state before the moment starts to descend abruptly. The predicted magnetism originates from an exchange splitting of electronic states at the top of the valence band where the density of states exhibits a sharp van Hove singularity in this quasi-two-dimensional system.
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Graphene, due to its exceptional properties, is a promising material for nanotechnology applications. In this context, the ability to tune the properties of graphene-based materials and devices with the incorporation of defects and impurities can be of extraordinary importance. Here we investigate the effect of uniaxial tensile strain on the electronic and magnetic properties of graphene doped with substitutional Ni impurities (Ni_sub). We have found that, although Ni_sub defects are non-magnetic in the relaxed layer, uniaxial strain induces a spin moment in the system. The spin moment increases with the applied strain up to values of 0.3-0.4 mu_B per Ni_sub, until a critical strain of ~6.5% is reached. At this point, a sharp transition to a high-spin state (~1.9 mu_B) is observed. This magnetoelastic effect could be utilized to design strain-tunable spin devices based on Ni-doped graphene.
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The discovery of archetypal two-dimensional (2D) materials provides enormous opportunities in both fundamental breakthroughs and device applications, as evident by the research booming in graphene, atomically thin transition-metal chalcogenides, and few-layer black phosphorous in the past decade. Here, we report a new, large family of semiconducting dialkali-metal monochalcogenides (DMMCs) with an inherent A$_{2}$X monolayer structure, in which two alkali sub-monolayers form hexagonal close packing and sandwich the triangular chalcogen atomic plane. Such unique lattice structure leads to extraordinary physical properties, such as good dynamical and thermal stability, visible to near-infrared light energy gap, high electron mobility (e.g. $1.87times10^{4}$ cm$^{2}$V$^{-1}$S$^{-1}$ in K$_{2}$O). Most strikingly, DMMC monolayers (MLs) host extended van Hove singularities near the valence band (VB) edge, which can be readily accessed by moderate hole doping of $sim1.0times10^{13}$ cm$^{-2}$. Once the critical points are reached, DMMC MLs undergo spontaneous ferromagnetic transition when the top VBs become fully spin-polarized by strong exchange interactions. Such gate tunable magnetism in DMMC MLs are promising for exploring novel device concepts in spintronics, electronics and optoelectronics.
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