A Green＇s function model for ferromagnetism and spin excitations of （Ga,Mn）As diluted magnetic semiconductors

We study (Ga, Mn)As diluted magnetic semiconductors in terms of the Ruderman--Kittel--Kasuya--Yosida quantum spin model in Green's function approach. Random distributions of the magnetic atoms are treated by using an analytical average of magnetic configurations. Average magnetic moments and spin excitation spectra as functions of temperature can be obtained by solving self-consistent equations, and the Curie temperature T_C is given explicitly. T_C is proportional to magnetic atomic concentration, and there exists a maximum for T_C as a function of carrier concentration. Applied to (Ga, Mn)As, the theoretical results are consistent with experiment and the experimental T_C can be obtained with reasonable parameters. This modelling can also be applied to other diluted magnetic semiconductors.     

Magnetic and electronic properties of two-dimensional metal-organic frameworks TM_3(C_2NH)_(12)

The ferromagnetism of two-dimensional(2 D) materials has aroused great interest in recent years, which may play an important role in the next-generation magnetic devices. Herein, a series of 2 D transition metal-organic framework materials(TM-NH MOF, TM = Sc–Zn) are designed, and their electronic and magnetic characters are systematically studied by means of first-principles calculations. Their structural stabilities are examined through binding energies and abinitio molecular dynamics simulations. Their optimized lattice constants are correlated to the central TM atoms. These 2 D TM-NH MOF nanosheets exhibit various electronic and magnetic performances owing to the effective charge transfer and interaction between TM atoms and graphene linkers. Interestingly, Ni-and Zn-NH MOFs are nonmagnetic semiconductors(SM) with band gaps of 0.41 e V and 0.61 e V, respectively. Co-and Cu-NH MOFs are bipolar magnetic semiconductors(BMS), while Fe-NH MOF monolayer is a half-semiconductor(HSM). Furthermore, the elastic strain could tune their magnetic behaviors and transformation, which ascribes to the charge redistribution of TM-3 d states. This work predicts several new 2 D magnetic MOF materials, which are promising for applications in spintronics and nanoelectronics.     

Effects of oxygen vacancy location on the electronic structure and spin density of Co-doped rutile TiO2 dilute magnetic semiconductors

According to density functional theory （DFT） using the plane wave base and pseudo-potential, we investigate the effects of the specific location of oxygen vacancy （Vo） in a （Ti,Co）06 distorted octahedron on the spin density and magnetic properties of Co-doped rutile Ti02 dilute magnetic semiconductors. Our calculations suggest that the Vo location has a significant influence on the magnetic moment of individual Co cations. In the case where two Co atoms are separated far away from each other, when the Vo is located at the equatorial site of a Co-contained octahedron, the ground state of the two Co cations is d6（t3g↑, t23g ↓） without any magnetic moment. However, if the Vo is located at the apical site, these two Co sites have different ground states and magnetic moments. The spin densities are also observed to be modified by the exchange coupling between the Co cations and the location of Vo. Some positive spin polarization is induced around the adjacent O ions.     

Spin gapless armchair graphene nanoribbons under magnetic field and uniaxial strain

Using Green＇s function method, we investigate the spin transport properties of armchair graphene nanoribbons （AG- NRs） under magnetic field and uniaxial strain. Our results show that it is very difficult to transform narrow AGNRs directly from semiconductor to spin gapless semiconductors （SGS） by applying magnetic fields. However, as a uniaxial strain is exerted on the nanoribbons, the AGNRs can transform to SGS by a small magnetic field. The combination mode be- tween magnetic field and uniaxial strain displays a nonmonotonic arch-pattern relationship. In addition, we find that the combination mode is associated with the widths of nanoribbons, which exhibits group behaviors.     

Strain-tuned magnetic properties in (Ga,Fe)Sb:First-principles study

In view of the importance of enhancing ferromagnetic(FM) coupling in dilute magnetic semiconductors(DMSs),the effects of strain on the electronic structures and magnetic properties of(Ga,Fe)Sb were examined by a first-principles study.The results of the investigation indicate that Fe_(Ga) substitution takes place in the low-spin state(LSS) with a total magnetic moment of 1μB in the strain range of-3% to 0.5%,which transitions to the high-spin state(HSS) with a total magnetic moment of 5μB as the strain changes from 0.6% to 3%.We attribute the changes in the amount and distribution of the total moment to the influence of the crystal field under different strains.The FM coupling is strongest under a strain of about0.5%,but gradually becomes weaker with increasing compressive and tensile strains.The magnetic coupling mechanism is discussed in detail.Our results highlight the important contribution of strain to magnetic moment and FM interaction intensity,and present an interesting avenue for the future design of high Curie temperature(T_C) materials in the(Ga,Fe)Sb system.     

Effects of oxygen vacancy location on the electronic structure and spin density of Co-doped rutile TiO₂ dilute magnetic semiconductors

According to density functional theory (DFT) using the plane wave base and pseudo-potential, we investigate the effects of the specific location of oxygen vacancy (VO) in a (Ti,Co)O 6 distorted octahedron on the spin density and magnetic properties of Co-doped rutile TiO2 dilute magnetic semiconductors. Our calculations suggest that the V O location has a significant influence on the magnetic moment of individual Co cations. In the case where two Co atoms are separated far away from each other, when the V O is located at the equatorial site of a Co-contained octahedron, the ground state of the two Co cations is d6 (t3 2g ↑, t 3 2g ↓) without any magnetic moment. However, if the V O is located at the apical site, these two Co sites have different ground states and magnetic moments. The spin densities are also observed to be modified by the exchange coupling between the Co cations and the location of V O . Some positive spin polarization is induced around the adjacent O ions.     

High-frequency magnetic properties and core loss of carbonyl iron composites with easy plane-like structures

To fully release the potential of wide bandgap(WBG)semiconductors and achieve high energy density and efficiency,a carbonyl iron soft magnetic composite(SMC)with an easy plane-like structure is prepared.Due to this structure,the permeability of the composite increases by 3 times(from 7.5 to 21.5)at 100 MHz compared with to the spherical carbonyl iron SMC,and the permeability changes little at frequencies below 100 MHz.In addition,the natural resonance frequency of the composite shifts to higher frequencies at 1.7 GHz.The total core losses of the composites at 10,20,and 30 m T are80.0,355.3,and 810.7 m W/cm³,respectively,at 500 k Hz.Compared with the spherical carbonyl iron SMC,the core loss at500 k Hz is reduced by more than 60%.Therefore,this kind of soft magnetic composite with an easy plane-like structure is a good candidate for unlocking the potential of WBG semiconductors and developing the next-generation power electronics.     

Spin-Flip of Polaron in Polymers with a Magnetic Impurity

Using a nonadiabatic evolution method, we investigate the spin-flip process of polaron in polymers with a magnetic impurity. Our results show that when the spin orientation of this impurity is fixed to be perpendicular to the spin of polaron （θ = π/2）, the magnetic impurity causes a spin-flip process. The probability of the spin-flip increases with the increase of exchange integral J up to about 0.35 eV and then decreases with the increase of J. In the case J is fixed while the spin orientation is adjustable, we find the probability of the spin-flip varies with the impurity orientation and reaches a maximum value at θ=π/2.     

The effects of electric and magnetic fields on the current spin polarization and magnetoresistance in a ferromagnetic/organic semiconductor/ferromagnetic（FM/OSC/FM） system

From experimental results of spin polarized injection and transport in organic semiconductors(OSCs),we theoretically study the current spin polarization and magnetoresistance under an electric and a magnetic field in a ferromagnetic/organic semiconductor/ferromagnetic(FM/OSC/FM) sandwich structure according to the spin drift-diffusion theory and Ohm’s law.From the calculations,it is found that the interfacial current spin polarization is enhanced by several orders of magnitude through tuning the magnetic and electric fields by taking into account the specific characteristics of OSC.Furthermore,the effects of the electric and magnetic fields on the magnetoresistance are also discussed in the sandwich structure.     

The electronic and magnetic properties of （Mn,C）-codoped ZnO diluted magnetic semiconductor

The electronic and magnetic properties of (Mn,C)-codoped ZnO are studied in the Perdew-Burke-Ernzerhof form of generalized gradient approximation of the density functional theory. By investigating five geometrical configurations, we find that Mn doped ZnO exhibits anti-ferromagnetic or spin-glass behaviour, and there are no carriers to mediate the long range ferromagnetic (FM) interaction without acceptor co-doping. We observe that the FM interaction for (Mn,C)-codoped ZnO is due to the hybridization between C 2p and Mn 3d states, which is strong enough to lead to hole-mediated ferromagnetism at room temperature. Meanwhile, we demonstrate that ZnO co-doped with Mn and C has a stable FM ground state and show that the (Mn,C)-codoped ZnO is FM semiconductor with super-high Curie temperature (T C = 5475 K). These results are conducive to the design of dilute magnetic semiconductors with codopants for spintronics applications.     

Electronic and magnetic properties of single-layer and double-layer VX_2(X=Cl,Br) under biaxial stress

First-principles calculations and Monte Carlo simulations reveal that single-layer and double-layer VX_2(X = Cl, Br)can be tuned from antiferromagnetic(AFM) semiconductors to ferromagnetic(FM) state when biaxial tensile stress is applied. Their ground states are all T phase. The biaxial tensile stress at the phase transition point of the double-layer VX_2 is larger than that of the single-layer VX_2. The direct band gaps can be also manipulated by biaxial tensile stress as they increases with increasing tensile stress to a critical point and then decreases. The Néel temperature(TN) of double-layer VX_2 are higher than that of single-layer. As the stress increases, the TNof all materials tend to increase. The magnetic moment increases with the increase of biaxial tensile stress, and which become insensitive to stress after the phase transition points.Our research provides a method to control the electronic and magnetic properties of VX_2 by stress, and the single-layer and double-layer VX_2 may have potential applications in nano spintronic devices.     

Synthesis,Characterization of 9, 9＇-Bianthracene and Fabrication of 9, 9＇-Bianthracene Field-Effect Transistors

We synthesize and purify 9, 9＇-bianthracene with the purity up to 96.4%. The electronic and crystallographic structures of 9, 9＇-bianthracene are studied. The results of a joint experimental investigation based on a combination of x-ray diffraction （XRD） spectra, hydrogen nuclear magnetic （HNMR） spectra, infrared absorption （FT-IR） spectra, and mass spectra （MS） of 9, 9＇-bianthracene are obtained. The uniform compact film is observed by an atomic-force microscope （AFM）. Organic field effect transistors （OFETs） with an active layer based on the synthesized 9, 9＇-bianthracene are fabricated for the first time. Its field-effect mobility is as large as 0.067 cm^2 /（V·s） and the on/off ratio is above 5 ×10^4. The result demonstrates that the oligomerization of a small semiconductor molecule is an effective method to develop high-mobility organic semiconductors.     

Magnetic polaron-related optical properties in Ni(Ⅱ)-doped Cd S nanobelts: Implication for spin nanophotonic devices

Emissions by magnetic polarons and spin-coupled d-d transitions in diluted magnetic semiconductors(DMSs)have become a popular research field due to their unusual optical behaviors.In this work,high-quality NiI₂(Ⅱ)-doped CdS nanobelts are synthesized via chemical vapor deposition(CVD),and then characterized by scanning electron microscopy(SEM),x-ray diffraction,x-ray photoelectron spectroscopy(XPS),and Raman scattering.At low temperatures,the photoluminescence(PL)spectra of the Ni-doped nanobelts demonstrate three peaks near the band edge:the free exciton(FX)peak,the exciton magnetic polaron(EMP)peak out of ferromagnetically coupled spins coupled with FXs,and a small higher-energy peak from the interaction of antiferromagnetic coupled Ni pairs and FXs,called antiferromagnetic magnetic polarons(AMPs).With a higher Ni doping concentration,in addition to the d-d transitions of single Ni ions at 620 nm and 760 nm,two other PL peaks appear at 530 nm and 685 nm,attributed to another EMP emission and the d-d transitions of the antiferromagnetic coupled Ni²⁺-Ni²⁺pair,respectively.Furthermore,single-mode lasing at the first EMP is excited by a femtosecond laser pulse,proving a coherent bosonic lasing of the EMP condensate out of complicated states.These results show that the coupled spins play an important role in forming magnetic polaron and implementing related optical responses.     

The electrical transport behavior of Zn-treated Zn1-xMnxO bulks

Zn1-xMnxO bulks have been prepared by the solid state reaction method. Zn vapor treatment has been carried out to adjust the carrier concentration. For the Zn treated Zn1-xMnxO bulks, analysis of the temperature dependence of resistance and the field dependence of magnetoresistance demonstrates that the bound magnetic polarons (BMPs) play an important role in the electrical transport behavior. The hopping of BMPs dominates the electrical conduction behavior when temperature is below 170 K. At low temperature,paramagnetic Zn1-xMnxO bulks show a large magnetoresistance effect,which indicates that the large magnetoresistance effect in transition-metal doped ZnO dilute magnetic semiconductors is independent of their magnetic states.     

Enhancement of Second- and Third-Order Nonlinear Optical Susceptibilities in Magnetized Semiconductors

Using electromagnetic treatment, an expression of effective nonlinear optical susceptibility χe [= χe^（2） ＋ χe^（3） E] is obtained for Ⅲ-Ⅴ semiconducting crystals in an applied transverse dc magnetic fieM under off-resonant transition regime. The origin of nonlinear interaction lies in nonlinear polarization arising from the crystal properties such as piezoelectricity and electrostriction. Numerical estimates have been made by a representative n-InSb crystal at 77K duly irradiated by a pulsed 10.6-μm CO2 laser under off-resonant transition regime. Efforts are dedicated to optimizing doping level and externally applied dc magnetic field to achieve maximum χe^（2） and χ3^（3）. The results are found to be in good agreement with the available literature. The analysis shows that χe^（2） and χe^（3） can be significantly enhanced in doped Ⅲ-Ⅴ semiconductors by the proper selection of doping concentration and dc magnetic field, which confirms its potential as a candidate material for the fabrication of nonlinear optical devices.     

Recent progress in perpendicularly magnetized Mn-based binary alloy films

In this article, we review the recent progress in growth, structural characterizations, magnetic properties, and related spintronic devices of tetragonal MnxGa and MnxA1 thin films with perpendicular magnetic anisotropy. First, we present a brief introduction to the demands for perpendicularly magnetized materials in spintronics, magnetic recording, and perma- nent magnets applications, and the most promising candidates of tetragonal MnxGa and MnxA1 with strong perpendicular magnetic anisotropy. Then, we focus on the recent progress of perpendicularly magnetized MnxGa and MnxA1 respec- tively, including their lattice structures, bulk synthesis, epitaxial growth, structural characterizations, magnetic and other spin-dependent properties, and spintronic devices like magnetic tunneling junctions, spin valves, and spin injectors into semiconductors. Finally, we give a summary and a perspective of these perpendicularly magnetized Mn-based binary alloy films for future applications.     

Universal spin-dependent variable range hopping in wide-band-gap oxide ferromagnetic semiconductors

This paper proposes a universal spin-dependent variable range hopping theoretical model to describe various experimental transport phenomena observed in wide-band-gap oxide ferromagnetic semiconductors with high transition metal concentration. The contributions of the `hard gap' energy, Coulomb interaction, correlation energy, and exchange interaction to the electrical transport are considered in the universal variable range hopping theoretical model. By fitting the temperature and magnetic field dependence of the experimental sheet resistance to the theoretical model, the spin polarization ratio of electrical carriers near the Fermi level and interactions between electrical carriers can be obtained.     

Dirac equation with a magnetic field in 3D non-commutative phase space

For a spin-1/2 particle moving in a background magnetic field in noncommutative phase space, the Dirac equation is solved when the particle is allowed to move off the plane that the magnetic field is perpendicular to. It is shown that the motion of the charged particle along the magnetic field has the effect of increasing the magnetic field. In the classical limit, matrix elements of the velocity operator related to the probability give a clear physical picture. Along an effective magnetic field, the mechanical momentum is conserved and the motion perpendicular to the effective magnetic field follows a round orbit. If using the velocity operator defined by the coordinate operators, the motion becomes complicated.     

Effects of 3d-transition metal doping on the electronic and magnetic properties of one-dimensional diamond nanothread

The diamond nanothread(DNT), a new one-dimensional(1 D) full carbon sp3 structure that has been successfully synthesized recently, has attracted widespread attention in the carbon community. By using the first-principles calculation method of density functional theory(DFT), we have studied the effects of 3 d transition metal(TM) atomic doping on the electronic and magnetic properties of DNT. The results show that the spin-polarized semiconductor characteristics are achieved by doping Sc, V, Cr, Mn, and Co atoms in the DNT system. The magnetic moment ranges from 1.00 μB to 3.00 μB and the band gap value is from 0.35 e V to 2.54 e V. The Fe-doped DNT system exhibits spin-metallic state with a magnetic moment of 2.58 μB, while the Ti and Ni-doped DNT systems are nonmagnetic semiconductors. These results indicate that the 3 d TM atoms doping can modulate the electronic and magnetic properties of 1 D-DNT effectively, and the TM-doped DNT systems have potential applications in the fields of electronics, optoelectronics, and spintronics.     

Structure Dependence of Magnetic Properties for Annealed GaMnN Films Grown by MOCVD

GaMnN/GaN multilayers and conventional GaMnN single layers are grown by metal-organic chemical vapor deposition. Both kinds of samples show room-temperature ferromagnetism. After thermal annealing, the sample with GaMnN/GaN multilayer structure displays a larger coercivity and better thermal stability compared to the GaMnN single layer. The annealing effects on Vca related defects are observed from photoluminescenee measurements. Moreover, a different magnetic behavior is also found in the annealed GaMnN films grown on different （n-type GaN and p-type GaN） templates. These kinds of structure-dependent magnetic behaviors indicate that defects or carriers transformation introduced during annealing may have important effects on the electronic structure of Mn ions and on the ferromagnetism. Our work may be helpful for further understanding the origin of ferromagnetism in GaN-based diluted magnetic semiconductors.