Two-dimensional transition metal halide PdX_(2)(X=F,Cl,Br,I):A promising candidate of bipolar magnetic semiconductors

Two-dimensional(2D)nanomaterials with bipolar magnetism show great promise in spintronic applications.Manipulating carriers'spin-polarized orientation in bipolar magnetic semiconductor(BMS)requires a gate voltage,but that is volatile.Recently,a new method has been proposed to solve the problem of volatility by introducing a ferroelectric gate with proper band alignment.In this paper,we predict that the PdX_(2)(X=F,Cl,Br,I)monolayers are 2D ferromagnetic BMS with dynamic stability,thermal stability,and mechanical stability by first-principles calculations.The critical temperatures are higher than the boiling point of liquid nitrogen and the BMS characteristics are robust against external strains and electric fields for PdCl_(2) and PdBr_(2).Then,we manipulate the spin-polarization of PdCl_(2) and PdBr_(2) by introducing a ferroelectric gate to enable magnetic half-metal/semiconductor switching and spin-up/down polarization switching control.Two kinds of spin devices(multiferroic memory and spin filter)have been proposed to realize the spin-polarized directions of electrons.These results demonstrate that PdCl_(2) and PdBr_(2) with BMS characters can be widely used as a general material structure for spintronic devices.

Two-dimensional bipolar magnetic semiconductors with high Curie-temperature and electrically controllable spin polarization realized in exfoliated Cr(pyrazine)_(2) monolayers

Exploring two-dimensional(2D)magnetic semiconductors with room-temperature magnetic ordering and electrically controllable spin-polarization is a highly desirable but challenging task for nano-spintronics.Here,through first-principles calculations,we propose to realize such a material by exfoliating the recently synthesized organometallic layered crystal Li0.7[Cr(pyz)_(2)]Cl0.7·0.25(THF)(pyz=pyrazine,THF=tetrahydrofuran).The feasibility of exfoliation is confirmed by the rather low exfoliation energy of 0.27 J m^(−2),even smaller than that of graphite.In exfoliated Cr(pyz)_(2)monolayers,each pyrazine ring grabs one electron from the Cr atom to become a radical anion,and then a strong d-p direct-exchange magnetic interaction emerges between Cr cations and pyrazine radicals,resulting in room-temperature ferrimagnetism with a Curie temperature of 342 K.Moreover,the Cr(pyz)_(2)monolayer is revealed to be an intrinsic bipolar magnetic semiconductor where electrical doping can induce half-metallic conduction with controllable spin-polarization direction.

A review of bipolar magnetic semiconductors from theoretical aspects

Spintronics,which employs electrons'spin degree of freedom in data storage and transmision,acts as a promising candidate for next-generation information technology owing to its improved processing speed and reduced power consumption.To seek and design materials with highly spin polarized carriers and find an efficient way to control the spin polarization direction of carriers are critical and urgent to spintronics applications.In this aspect,the bipolar magnetic semiconductor(BMS)serves as an ideal solution since it can generate currents with 100%spin polarization,and the direction of spin polarization is easily tunable by an external gate voltage,Up to now,there have been lots of BMSs predicted by first-principles calculations,however,most of them are extrinsically induced by chemical or physical modifications,and a generalized scheme for designing BMS materials is stil lacking,This paper is aimed to briefly review the existing BMS materials designed by theoretical simulations,analyze the main obstacles to experimental realization,and put forward suggestions for future development.

Effects of edge hydrogenation and Si doping on spin-dependent electronic transport properties of armchair boron–phosphorous nanoribbons

In this article, the spin-dependent electronic and transport properties of the armchair boron–phosphorous nanoribbons（ABPNRs） are mainly studied by using the non-equilibrium Green function method combined with the spin-polarized density function theory. Our calculated electronic structures indicate that the edge hydrogenated ABPNRs exhibit a ferromagnetic bipolar magnetic semiconductor property, and that the Si atom doping can make ABPNRs convert into up-spin dominated half metal. The spin-resolved transport property results show that the doped devices can realize 100% spinfiltering function, and that the interesting negative differential resistance phenomenon can be observed. Our calculations suggest that the ABPNRs can be constructed as a spin heterojunction by introducing Si doping partially, and it would be used as a spin-diode for nano-spintronics in future.

Room-temperature ferrimagnetism and size-modulated electronic structures in two-dimensional cluster-based metal-organic frameworks

Cluster-assembled materials have attracted particular attention for their complex hierarchical structures and unique properties.However,the majority of cluster-based assemblies developed so far are either non-magnetic or only exhibit magnetic ordering with a relatively low Curie temperature,limiting their applications in spintronics.Thus,two-dimensional(2D)cluster-assembled materials with room-temperature magnetism remain highly desirable.For this purpose,based on first principles calculations,we design a series of thermodynamically stable 2D cluster-based metal-organic frameworks(MOFs)Fe_(n)-(pyz)(n=1-6)by utilizing Fenmetal clusters as nodes and nitrogen-containing pyrazine ligands as organic linkers.These 2D cluster-based MOFs exhibit robust ferrimagnetic ordering due to the strong d-p direct exchange interaction between d-electron spin of Fe_(n)(n=1-6)clusters and charge transfer-induced p-electron spin of pyrazine ligands.In particular,the ferrimagnetic Curie temperatures are well above room temperature(up to 836 K).Additionally,altering the size of Fe_(n)clusters in Fe_(n)-(pyz)(n=1-6)MOFs results in diverse functional spintronic properties,including bipolar magnetic semiconductors,half semiconductors and Dirac half metals.Moreover,these 2D assembled MOFs possess sizable magnetic anisotropy energies,up to 9.16 me V per formula.