No Arabic abstract
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.
Twisted graphene bilayers provide a versatile platform to engineer metamaterials with novel emergent properties by exploiting the resulting geometric moir{e} superlattice. Such superlattices are known to host bulk valley currents at tiny angles ($alphaapprox 0.3 ^circ$) and flat bands at magic angles ($alpha approx 1^circ$). We show that tuning the twist angle to $alpha^*approx 0.8^circ$ generates flat bands away from charge neutrality with a triangular superlattice periodicity. When doped with $pm 6$ electrons per moire cell, these bands are half-filled and electronic interactions produce a symmetry-broken ground state (Stoner instability) with spin-polarized regions that order ferromagnetically. Application of an interlayer electric field breaks inversion symmetry and introduces valley-dependent dispersion that quenches the magnetic order. With these results, we propose a solid-state platform that realizes electrically tunable strong correlations.
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.
Magnetism is a prototypical phenomenon of quantum collective state, and has found ubiquitous applications in semiconductor technologies such as dynamic random access memory (DRAM). In conventional materials, it typically arises from the strong exchange interaction among the magnetic moments of d- or f-shell electrons. Magnetism, however, can also emerge in perfect lattices from non-magnetic elements. For instance, flat band systems with high density of states (DOS) may develop spontaneous magnetic ordering, as exemplified by the Stoner criterion. Here we report tunable magnetism in rhombohedral-stacked few-layer graphene (r-FLG). At small but finite doping (n~10^11 cm-2), we observe prominent conductance hysteresis and giant magnetoconductance that exceeds 1000% as a function of magnetic fields. Both phenomena are tunable by density and temperature, and disappears for n>10^12 cm-2 or T>5K. These results are confirmed by first principles calculations, which indicate the formation of a half-metallic state in doped r-FLG, in which the magnetization is tunable by electric field. Our combined experimental and theoretical work demonstrate that magnetism and spin polarization, arising from the strong electronic interactions in flat bands, emerge in a system composed entirely of carbon atoms. The electric field tunability of magnetism provides promise for spintronics and low energy device engineering.
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.
Recently, phosphorene electronic and optoelectronic prototype devices have been fabricated with various metal electrodes. We systematically explore for the first time the contact properties of monolayer (ML) phosphorene with a series of commonly used metals (Al, Ag. Cu, Au, Cr, Ni, Ti, and Pd) via both ab initio electronic structure calculations and more reliable quantum transport simulations. Strong interactions are found between all the checked metals, with the energy band structure of ML phosphorene destroyed. In terms of the quantum transport simulations, ML phosphorene forms a n-type Schottky contact with Au, Cu, Cr, Al, and Ag electrodes, with electron Schottky barrier heights (SBHs) of 0.30, 0.34, 0.37, 0.51, and 0.52 eV, respectively, and p-type Schottky contact with Ti, Ni, and Pd electrodes, with hole SBHs of 0.30, 0.26, and 0.16 eV, respectively. These results are in good agreement with available experimental data. Our findings not only provide an insight into the ML phosphorene-metal interfaces but also help in ML phosphorene based device design.