Magnetic properties of Mn-doped ZnO diluted magnetic semiconductors

A series of Mn-doped ZnO films have been prepared in different sputtering plasmas by using the inductively coupled plasma enhanced physical vapour deposition. The films show paramagnetic behaviour when they are deposited in an argon plasma. The Hall measurement indicates that ferromagnetism cannot be realized by increasing the electron concentration. However, the room-temperature ferromagnetism is obtained when the films are deposited in a mixed argon-nitrogen plasma. The first-principles calculations reveal that antiferromagnetic ordering is favoured in the case of the substitution of Mn^2＋ for Zn^2＋ without additional acceptor doping. The substitution of N for O （NO^-） is necessary to induce ferromagnetic couplings in the Zn-Mn-O system. The hybridization between N 2p and Mn 3d provides an empty orbit around the Fermi level. The hopping of Mn 3d electrons through the empty orbit can induce the ferromagnetic coupling. The ferromagnetism in the N-doped Zn-Mn-O system possibly originates from the charge transfer between Mn^2＋ and Mn^3＋ via NO^-, The key factor is the empty orbit provided by substituting N for O, rather than the conductivity type or the carrier concentration.

Theoretical prediction and experimental realization of transition metal doped rutiles as diluted magnetic semiconductors

First principle calculations have been performed to study the electron structures and magnetic properties of transition metal doped ruilles in order to predict room temperature diluted magnetic semiconductors. Different doping configurailons have been calculated to find the preferred doping site. The ground state energies of both FM and AFM states have been calculated to study the magnetic coupling between the dopants. The calculation results show the Co doped mutile has a Curie temperature of 1438 K. Co doped mille films have been prepared on Si substrate by magnetron sputtering. X-ray diffraction results show that the deposited film is ruille. Hysteresis loop curves measured by vibration sample magnetization show that the film is ferromagnetic at root temperature.

Structural stability at high pressure, electronic, and magnetic properties of BaFZnAs：A new candidate of host material of diluted magnetic semiconductors

The layered semiconductor BaFZnAs with the tetragonal ZrCuSiAs-type structure has been successfully synthesized.Both the in-situ high-pressure synchrotron x-ray diffraction and the high-pressure Raman scattering measurements demonstrate that the structure of BaFZnAs is stable under pressure up to 17.5 GPa at room temperature. The resistivity and the magnetic susceptibility data show that BaFZnAs is a non-magnetic semiconductor. BaFZnAs is recommended as a candidate of the host material of diluted magnetic semiconductor.

First-Principles Studies the Lattice Constants and the Electronic Structures of Diluted Magnetic Semiconductors (In,Mn)As

Lattice constants and electronic structures of diluted magnetic semiconductors （ In, Mn ） As were investigated using the first principles LMTO-ASA band calculation by assuming supercell structures. Three concentrations of the 3 d impurities were studied （ x = 1/2, 1/4, 1/8）. The effect of varying Mn coucentrations on the lattice constants and the electronic structures are shown.

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 TC is given explicitly. Tc is proportional to magnetic atomic concentration, and there exists a maximum for Tc as a function of carrier concentration. Applied to （Ga, Mn）As, the theoretical results are consistent with experiment and the experimental TC can be obtained with reasonable parameters. This modelling can also be applied to other diluted magnetic semiconductors.

Regulating the dopant clustering in LiZnAs-based diluted magnetic semiconductor

Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted magnetic semiconductors(DMS).Due to the not well understood magnetic mechanism and the interplay between different magnetic mechanisms,no efficient and universal tuning strategy is proposed at present.Here,the magnetic interactions and formation energies of isovalent-doped(Mn) and aliovalent(Cr)-doped LiZnAs are studied based on density functional theory(DFT).It is found that the dopant–dopant distance-dependent magnetic interaction is highly sensitive to the carrier concentration and carrier type and can only be explained by the interplay between two magnetic mechanisms,i.e.,superexchange and Zener’s p–d exchange model.Thus,the magnetic behavior and clustering of magnetic dopant can be tuned by the interplay between two magnetic mechanisms.The insensitivity of the tuning effect to U parameter suggests that our strategy could be universal to other DMS.

First principles study on the structural, electronic and optical properties of diluted magnetic semiconductors Zn1-xCoxX （X=S, Se, Te）

The electronic and optical properties of zincblende ZnX（X=S, Se, Te） and ZnX：Co are studied from density functional theory （DFT） based first principles calculations. The local crystal structure changes around the Co atoms in the lattice are studied after Co atoms are doped. It is shown that the Co-doped materials have smaller lattice constant （about 0.6%-0.9%）. This is mainly due to the shortened Co-X bond length. The （partial） density of states （DOS） is calculated and differences between the pure and doped materials are studied. Results show that for the Co-doped materials, the valence bands are moving upward due to the existence of Co 3d electron states while the conductance bands are moving downward due to the reduced lattice constants. This results in the narrowed band gap of the doped materials. The complex dielectric indices and the absorption coefficients are calculated to examine the influences of the Co atoms on the optical properties. Results show that for the Co-doped materials, the absorption peaks in the high wavelength region are not as sharp and distinct as the undoped materials, and the absorption ranges are extended to even higher wavelength region.

Room-temperature anomalous Hall effect and magnetroresistance in(Ga,Co)-codoped ZnO diluted magnetic semiconductor films

This paper reports that the （Ga, Co）-codoped ZnO thin films have been grown by inductively coupled plasma enhanced physical vapour deposition. Room-temperature ferromagnetism is observed for the as-grown thin films. The x-ray absorption fine structure characterization reveals that Co2＋ and Ga3＋ ions substitute for Zn2＋ ions in the ZnO lattice and exclude the possibility of extrinsic ferromagnetism origin. The ferromagnetic （Ga, Co）-codoped ZnO thin films exhibit carrier concentration dependent anomalous Hall effect and positive magnetoresistance at room tempera- ture. The mechanism of anomalous Hall effect and magneto-transport in ferromagnetic ZnO-based diluted magnetic semiconductors is discussed.

Zn_(1-x)Co_xO Diluted Magnetic Semiconductor Bulk Prepared by Hot Pressing

Zn1-xCoxO diluted magnetic semiconductor bulks were prepared by hot pressing.Mixed powders of pure ZnO and CoO were compacted under pressure of 10 MPa at the temperature of 1 073 K.Then the samples were annealed in vacuum at the temperature from 673 K to 873 K for 10 h.The crystal structure and magnetic properties of Zn1-xCoxO bulks have been investigated by X-ray diffraction（XRD） and vibrating sample magnetometer（VSM）.X-ray photoelectron spectroscopy（XPS） was used to study chemical valence of zinc and cobalt in the samples.The results showed that Zn1-xCoxO samples had c-axis oriented wurtzite symmetry,neither cobalt or cobalt oxide phase was found in the samples if x was less than 0.15.Zn and Co existed in Zn0.9Co0.1O sample in Zn2＋ and Co2＋ states.The results of VSM experiment proved the room temperature ferromagnetic properties（RTFP） of Co-doped ZnO samples.The saturation magnetization and the coercivity of Zn0.9Co0.1O sample,observed in the M-H curve,were about 0.20 emu/g and 200 Oe,respectively.

Families of magnetic semiconductors——an overview

The interplay of magnetic and semiconducting properties has been in the focus for more than a half of the century. In this introductory article we briefly review the key properties and functionalities of various magnetic semiconductor families, including europium chalcogenides, chromium spinels, dilute magnetic semiconductors, dilute ferromagnetic semiconductors and insulators, mentioning also sources of non-uniformities in the magnetization distribution, accounting for an apparent high Curie temperature ferromagnetism in many systems. Our survey is carried out from today's perspective of ferromagnetic and antiferromagnetic spintronics as well as of the emerging fields of magnetic topological materials and atomically thin 2D layers.

Preparation of Single Crystals of Co_xZn_(1-x)S and Co_xZn_(1-x)Se—New Materials of Dilute Magnetic Semiconductors

In this paper, we report the growth of single crystals of Co_x Zn_(1-x)S and Co_x Zn_(1-x)Se (0<x<0.3) by the method of chemical transport, using iodine as a transport agent. The light green color of single crystal Co_xZn_(1-x)S as well as the light brown color of Co_xZn_(1-x)Se become deep with an increase in x. The compositions of the single crystals were nearly stoichiometric. The transfer rate decreases with an increase of the x value. The growth rate was related to the temperature difference. The large temperature difference speed up the growth rate, but the size of crystal obtained was small. In general, the optimal temperature difference was 15℃. From X-ray diffraction measurements, the structures of crystals Co_xZn_(1-x)S and Co_xZn_(1-x)Se (0<x<0.1) were identified to be zinc blende structure similar to that of ZnS and ZnSe.

Magnetic Properties of Diluted Magnetic Semiconductor Hg_(0.89)Mn_(0.11)Te

The magnetization of Hg0.89Mn0.11 Te single crystal grown by vertical Bridgman method was studied by using superconducting quantum interference device magnetometer（SQUID Magnetometer）. First, magnetization measurements were done under various magnetic fi eld strengths from-20 kOe to 20 kOe at 5 K, 15 K, and 77 K, respectively. Then, the magnetizations were measured with continuous changes of temperature in the range from 5 K to 300 K under the magnetic field of 0.1 kOe and 10 kOe, respectively. The modifi ed Brillouin function was well fitted with the data of magnetization vs. magnetic field strength. The analysis indicated that there was an antiferromagnetic exchange coupling among Mn^2＋ ions. The results of reciprocal susceptibility vs. temperature fi t Curie-Weiss law very well at the temperatures above 40 K, but deviate from the law from 5 Kto 40 K, which shows that the antiferromagnetic exchange coupling among Mn^2＋ ions increases in the lower temperature range below 40 K. The experimental result was explained by extending higher-order terms in the calculation of susceptibility and fitted by a power law function. The measurements reveal that Hg0.89Mn0.11 Te possesses paramagnetic properties at temperatures from 5 K to 300 K.

First-principles study of structural,electronic,and magnetic properties of Mn_4XGe_3 (X=Fe,Co,Ni)

In order to search for promising candidates for spintronic applications, this paper systematically studies three ternary compounds based on Mn5Ce3 by using a full-potential linearized augmented plane wave method within the density functional theory. Through structure optimization and electronic structure calculations, it finds that Mn4FeCe3 and MnaCoCe3 have much higher spin-polarization than original intermetallic compound Mn5Ce3, although the spin polarization of MnaNiCe3 is lower than that of Mn5Ce3. The calculated result is in agreement with experiment in the case of Mn4FeCe3. Both of them can be taken as promising candidates for spintronics applications because of their high spin-polarization and compatibility with semiconductors.

A first-principles study of the magnetic properties in boron-doped ZnO

First-principles calculations based on density functional theory are performed to study the origin of ferromagnetism in boron-doped ZnO. It is found that boron atoms tend to reside at Zn sites. The induced Zn vacancy is a key factor for ferromagnetism in Znl-xBxO （0 〈 x 〈 1） systems. The nearest oxygen atoms coordinated with the B Zn vacancy pair show a few hole states in the 2p orbitals and induce magnetic moments. However, the configuration of two boron atoms inducing one Zn vacancy is nonmagnetic, with a lower formation energy than that of the B-Zn vacancy pair. This explains the difference between the theoretical and experimental magnetic moments.

(Ca,K)(Zn,Mn)_(2)As_(2):Ferromagnetic semiconductor induced by decoupled charge and spin doping in CaZn_(2)As_(2)

We have successfully synthesized a novel diluted magnetic semiconductor(Ca_(1−2x)K_(2x))(Zn_(1−x)Mn_(x))_(2)As_(2) with decoupled charge and spin doping.The substitutions of(Ca^(2+),K^(+))and(Zn^(2+),Mn^(2+))in the parent compound CaZn_(2)As_(2)(space group P m1(No.164))introduce carriers and magnetic moments,respectively.Doping only Mn into CaZn_(2)As_(2) does not induce any type of long range magnetic ordering.The ferromagnetic ordering arise can only when K^(+)and Mn^(2+)are simultaneously doped.The res-ulted maximum Curie temperature reaches~7 K,and the corresponding coercive field is~60 Oe.The transport measurements confirm that samples with K and Mn co-doping still behave like a semiconductor.

Magnetic properties of Mn-doped GaN with defects:ab-initio calculations

According to first-principles density functional calculations, we have investigated the magnetic properties of Mn- doped GaN with defects, Ga1-x-yVGxMny N1-z-tVNzOt with Mn substituted at Ga sites, nitrogen vacancies VN, gallium vacancies VG and oxygen substituted at nitrogen sites. The magnetic interaction in Mn-doped GaN favours the ferromagnetic coupling via the double exchange mechanism. The ground state is found to be well described by a model based on a Mn3＋-d5 in a high spin state coupled via a double exchange to a partially delocalized hole accommodated in the 2p states of neighbouring nitrogen ions. The effect of defects on ferromagnetic coupling is investigated. It is found that in the presence of donor defects, such as oxygen substituted at nitrogen sites, nitrogen vacancy antiferromagnetic interactions appear, while in the case of Ga vacancies, the interactions remain ferromagnetic; in the case of acceptor defects like Mg and Zn codoping, ferromagnetism is stabilized. The formation energies of these defects are computed. Furthermore, the half-metallic behaviours appear in some studied compounds.

Structure and Magnetic Properties of Ni-doped ZnO Powder

Ni-doped ZnO nanopowder （Zn0.98Ni0.2O） was synthesized by improved coprecipitation method. The average particle size of the powder was estimated to be 50 nm. The powder was then processed by thermal treatment. Samples were annealed at 1 073, 1 273, and 1 473 K, respectively. The solubility of NiO in ZnO and the lattice parameters of ZnO both increased with the temperature. The magnetic property of the doped samples was examined, and hysteresis loops were got. The results showed all the samples were ferromagnetic, while powder processed at 1 273 K for 4 h got a highest saturation magnetization （Ms） of 0.0457 emu/g. Also, magnetic properties were related to the grain size of the powder.

Growth temperature dependent evolutions of microstructural,optical and magnetic properties of Zn_(0.75)Co_(0.25)O films

Zn0.75Co0.25O films are fabricated via reactive electron beam evaporation. The influence of growth temperature on the microstructural, optical and magnetic properties of Zn0.75Co0.25O films is investigated by using x-ray diffraction, selected area electron diffraction, field emission scanning electron microscope, high resolution transmitting electron microscope, photoluminescence （PL）, field dependent and temperature dependent DC magnetization, and x-ray photoelectron spectroscopy （XPS）. It is shown that Zn0.75Co0.25O films grown at low temperatures （250-350℃） are of single-phase wurtzite structure. Films synthesized at 300 or 350℃ reveal room temperature （RT） ferromagnetism （FM）, while su for 250℃ fabricated films is found above 56 K. PL and XPS investigations show favour towards the perspective that the O-vacancy induced spin-split impurity band mechanism is responsible for the formation of RT FM of Zn0.75Co0.25O film, while the superparamagnetism of 250℃ fabricated film is attributed to the small size effect of nanoparticles in Zn0.75Co0.25O film.

Uniaxial strain-dependent magnetic and electronic properties of (Ga,Mn)As nanowires

Variations in magnetic and electronic properties as a function of uniaxial strain in wurtzite （Ga,Mn）As nanowires （NWs） grown along the [0001] direction were investigated based on density functional theory （DFT）. We found that （Ga,Mn）As NWs are half-metal, and the ferromagnetic state is their stable ground state. The magnetism of the NWs is significantly affected by the strain and by the substituent position of Mn impurities. By examining charge densities near the Fermi level, we found that strain can regulate the conductive region of the N-Ws. More interestingly, the size of spin-down band gap of the NWs is tunable by adjusting uniaxial stress, and the NWs can be converted from indirect to direct band gap under tension.