Ferromagnetism in ZnO with（Mn,Li） codoping

First-principles calculations were performed to investigate the magnetic properties of Zn(Mn,Li)O based on the Perdew-Burke-Ernzerhof form of generalized gradient approximation. Antiferromagnetic (AFM) ordering is the ground state in Mn-doped ZnO system without the codopant of Li, while seven different geometrical configurations of Zn(Mn,Li)O prefer stable ferromagnetic (FM) ordering. We found that dopant Li can effectively change the magnetic coupling in the ZnMnO system. The Curie temperature (T_C) of FM ordering depends on the geometric configuration, and the highest T_C is about 1388 K. The FM stabilization is greatly affected by Mn-Mn distance rather than by the position of dopant Li. We propose that dopant Li mediates FM coupling through a double exchange interaction or an RKKY interaction when Li is located, respectively, near or far from Mn ions.     

Ferromagnetism in noncompensated (Mn,Ga)-codoped ZnO films

Mn/Ga noncompensated codoped ZnO films were prepared on c-cut sapphire substrates via pulsed laser deposition. The structural, magnetic, transport, and optical properties of the films were then investigated. Addition of the Ga donor increases the electron concentration and enhances the magnetization in these films because of the net negative charge of the special noncompensated codoping, which can adjust the carrier concentration as well as the magnetic moment. Moreover, the Fermi level moves into the conduction band because of the increase in electron concentration, which results in an increase in the optical band gap value, from 3.28 eV for the undoped ZnO film to 3.61 eV for the (Mn,Ga)-codoped ZnO film.     

Ferromagnetism driven by intrinsic point defects in HfO(2)

In view of recent experimental reports of unexpected ferromagnetism in HfO(2) thin films, we carried out first-principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of intrinsic point defects. Ab initio electronic structure calculations using density functional theory show that isolated cation vacancy sites in HfO(2) lead to the formation of high-spin defect states. Furthermore these appear to be ferromagnetically coupled with a rather short range magnetic interaction, resulting in a ferromagnetic ground state for the whole system. More interestingly, the occurrence of these high-spin states and ferromagnetism is in the low symmetry monoclinic phase of HfO(2). This is radically different from other systems previously known to exhibit point defect ferromagnetism, warranting a closer look at the phenomenon.     

Ferromagnetism induced by oxygen-vacancy complex in (Mn,in) codoped ZnO

Mn doped Zinc oxide (ZnO) thin films were prepared by metal organic chemical vapor deposition (MOCVD) technique. Structural characterizations by X-ray diffraction technique (XRD) and photoluminescence (PL) indicate the crystal quality of ZnO films. PL and Raman show a large fraction of oxygen vacancies (V_O²⁺) are generated by vacuum annealed the film. The enhancement of ferromagnetism in post-annealed (Mn, In) codoped ZnO could result from V_O²⁺ incorporation. The effect of V_O²⁺ on the magnetic properties of (Mn, In) codoped ZnO has been studied by first-principles calculations. It is found that only In donor cannot induce ferromagnetism (FM) in Mn-doped ZnO. Besides, the presence of V_O²⁺ makes the Mn empty 3d-t_2g minority state broadened, and a t_2g-V_O²⁺ hybrid level at the conduction band minimum forms. The presence of V_O²⁺ can lead to strong ferromagnetic coupling with the nearest neighboring Mn cation by BMP model based on defects reveal that the ferromagnetic exchange is mediated by the donor impurity state, which mainly consists of Mn 3d electrons trapped in oxygen vacancies.     

Ferromagnetism of Pd(001) substrate induced by antiferromagnetic CoO

Our first-principles study has revealed unexpected spin polarization of the Pd(001) substrate in contact with antiferromagnetic CoO overlayers. We give an evidence that the ferromagnetism of Pd is caused by the zigzag positions of Co atoms with respect to the Pd interface, resulted from the lattice-mismatch driven structural relaxation. Because of the itinerant nature of its 4d electrons, we see that the ferromagnetic properties of Pd are highly sensitive to the local environment and can be enhanced further by increasing the thickness of CoO overlayer film or/and by applying an additional uniaxial pressure along c-axis exerted externally on the bottom layers of the Pd substrate. Our finding provides new functionality for the interfacial moments of the CoO/Pd system, which can be accessed experimentally, e.g., by the magneto-optical Kerr effect (MOKE) or/and by element-resolved X-ray magnetic circular dichroism (XMCD) measurement.     

Ferromagnetism in the high-pressure phases of (GaSb)1−x Mnx

The electrophysical and magnetic properties of recently discovered high-pressure phases in the GaSb-Mn system with simple cubic and tetragonal structures have been examined. It has been shown that samples with the primitive cubic structure for low temperatures are in the ferromagnetic state and the Curic temperature depends on the initial manganese content and reaches T _c = 280 K for x = 0.6. It has been shown that these samples for a manganese content x ≤ 0.5 are in the semiconducting state with large impurity conduction and pass to the metallic state as x increases. The GaSbMn phase with the tetragonal structure has ferromagnetic properties up to temperatures of T ～450 K (at which the phase begins to decay) and exhibits metallic properties. The magnetization at T = 77.3 K is equal to M = 0.58 μ_B and 0.28 μ_B per manganese ion for the simple cubic and tetragonal phases, respectively.     

X-ray magnetic circular dichroism and resonant photomission of V(TCNE)x hybrid magnets

Thin films of V(TCNE)x were deposited in ultrahigh vacuum using a film growth technique based on in situ chemical vapor deposition of tetracyanoethylene, TCNE, and bis-benzene vanadium, V(C6H6)2. The in situ preparation method enabled, for the first time, experimental analysis of oxygen-free films. X-ray magnetic circular dichroism measurements recorded at the V L(2,3) edge confirmed room temperature magnetic ordering. A combination of conventional photoelectron spectroscopy (PES) and resonant photoemission (RPE) measured at the V L3 edge shows that the highest occupied electronic state is V(3d) derived. The rearrangements of the TCNE- related valence electronic states observed in PES and the evidence of V(3d) and TCNE- pi(pi*) orbital overlap contained in RPE spectra, indicate that strong, covalent type bonding occurs between the vanadium and the TCNE molecules.     

Ferromagnetism of MnAs studied by heteroepitaxial films on GaAs(001)

Thin epitaxial films of MnAs--promising candidates for the spin injection into semiconductors--are well known to undergo simultaneously a first-order structural and magnetic phase transition at 10-40 degrees C. The evolution of stress and magnetization of MnAs/GaAs(001), both measured quantitatively with our cantilever beam magnetometer at the coexistence region of alpha-MnAs and beta-MnAs, reveal an orthorhombically distorted unit cell of the ferromagnetic phase, which provides important clues on the origin of ferromagnetism in MnAs.     

Co和Mn共掺杂ZnO铁磁性的第一性原理

基于密度泛函理论(DFT)的总体能量平面波超软赝势方法,结合广义梯度近似(GGA),对Co单独掺杂ZnO和(Co,Mn)共掺杂ZnO的32原子超原胞体系进行了几何结构优化,计算了纤锌矿结构ZnO、Co-ZnO及(Co,Mn)共掺杂ZnO的能带结构、电子态密度,并对此进行了详细的分析。计算结果表明,ZnO中单独掺杂Co元素显示出铁磁性行为,Mn的引入减弱了Co-ZnO的铁磁性。     

Photoinduced magnetization in the organic-based magnet Mn(TCNE)(x)* y(CH2Cl2)

Photoinduced magnetization in a magnet based on organic species is reported for the first time. Upon optical excitation in the blue region of spectrum, Mn(tetracyanoethylene)(x)*y(CH2Cl2) (x approximately 2, y is approximately 0.8) exhibits increased magnetic susceptibility at temperatures as high as 75 K, accompanied with photoinduced absorption in the visible and infrared spectral regions. These effects are partially reversible by lower energy visible light and fully reversible by thermal treatment. The results suggest trapping of the photoexcited charge in a metastable state with enhanced exchange interaction.     

Multiple photonic responses in films of organic-based magnetic semiconductor V(TCNE)x, x approximately 2

Concomitant photoinduced magnetic and electrical phenomena are reported for the organic-based magnetic semiconductor V(TCNE)x (x approximately 2; TCNE=tetracyanoethylene; magnetic ordering temperature Tc approximately 400 K). Upon optical excitation (457.9 nm), the system can be trapped in a thermally reversible photoexcited state, which exhibits reduced magnetic susceptibility and increased conductivity with a simultaneous change in IR absorption spectrum. The multiple photonic effects in V(TCNE)x are proposed to originate from structural changes induced by internal excitation in (TCNE)- anions, which lead to relaxation to a long-lived metastable state.     

Ferromagnetism in γ-iron

F.c.c. γ-Fe(111)-films, prepared by epitaxial growth in UHV on Cu(111), are ferromagnetic. The spontaneous magnetization was determined as 0.58 ± 0.13 μ_B/atom. This is independent of film thickness (up to 80 Å) and applies both for island-films and for layer-grown films. The Curie-temperature for bulk material was estimated to T_c(∞) = 900 ± 300 K. The apparent contradiction to antiferromagnetism in γ-Fe-precipitates is explained by different lattice parameters.     

Ferromagnetism of (Pb,Sn, Mn) Te under high pressure

Results of measurements of the magnetic susceptibility in the p-type diluted magnetic semiconductor [(PbTe)_1-x(SnTe)_x]_1-y(MnTe)_y with x = 0.72, y = 0.03 are presented. The temperature of the ferromagnetic ordering T_c increases (for hole concentration 3×10²⁰ cm^-3) < p < 7 × 10²⁰ cm^-3 or decreases (p > 7 × 10²⁰ cm^-3) as hydrostatic pressure is applied. The pressure causes an increase in the concentration of carriers responsible for the interactions between Mn ions. The observed shift of T_c with pressure is interpreted on the basis of the RKKY interaction mechanism and points out the importance of the band structure behavior in consideration of magnetic properties of the semiconductor.     

Ferromagnetism in amorphous MgO

Abstract

We report, for the first time, the atomic structure of amorphous MgO based on ab initio molecular dynamics simulations. We find that its main building blocks are four-fold and five-fold coordinated configurations, similar to those formed in the liquid state. Its average coordination is estimated to be about 4.36. The amorphous form having a perfect stoichiometry has a band gap energy of 2.4 eV. On the other hand, Mg vacancies induce an insulator to metal transition and ferromagnetism in amorphous MgO whilst O vacancies do not cause such a transition, implying that the magnetism in amorphous MgO is related to the non-stoichiometry and Mg vacancies. With the application of pressure, the stoichiometric and non-stoichiometric (Mg vacancies) models undergo a phase transformation into a rocksalt state, suggesting that the electronic structure of the initial configurations has no influence on the resulting high-pressure phase in amorphous MgO.     

Ferromagnetism in the thermodynamically stable monolayer Fe(110) on W(110), coated by Ag

Ferromagnetic order in the thermodynamically stable, pseudomorphic monolayer Fe(110) on W(110), coated by Ag, was studied in situ in UHV using Conversion Electron Mössbauer Spectroscopy (CEMS) and Torsion Oscillation Magnetometry (TOM). Films near the monolayer coverage, prepared at 475 K, consist of nearly independent monolayer and double-layer patches. The properties of monolayer patches are nearly independent of the mean film thickness resulting in excellent conditions to determine the true monolayer properties. The Curie temperature is reduced toT _{c, mono}= 282 K = 0.27 T_c,bulk, the ground state hyperfine field is reduced toB _hf(0)=11.9 T = 0.35B _hf,bulk(0) and the magnetic moment per atom is enhanced to(0) = 2.53 _B=1.14(0)_bulk. Remanent magnetization is detected forT 260 K=0.92T _{c, mono}, square loop magnetization forT 230 K=0.82T _{c, mono}. Unusual properties of the phase transition are detected by the combination of both experimental techniques.     

Room Temperature Ferromagnetism in Graphene/SiC(0001) System Intercalated by Fe and Co

The utilization of graphene on silicon carbide (SiC) substrates holds substantial promise for advancements in spintronics and nanoelectronics. Furthermore, incorporating magnetic metals provides an optimal framework for probing fundamental physical phenomena. The approach to developing such systems is in situ intercalation of graphene with magnetic metals. Herein, the electronic structure is analyzed and the magnetic properties of the system are synthesized by the thermal decomposition of 6H-SiC(0001) surface and subsequent intercalation of graphene with cobalt (Co) and iron (Fe) atoms. X-ray photoemission spectroscopy and low-energy electron diffraction are employed to control the synthesis and metal intercalation processes. The morphological characteristics of the synthesized system are studied by means of atomic force microscopy. The findings derived from magneto-optic Kerr effect measurements reveal a homogeneous ferromagnetic ordering at room temperature. Angle-resolved photoemission spectroscopy is used to ascertain the impact of intercalation on graphene's electronic structure. The results of this study are essential for the development of graphene-based spintronics and nanoelectronic devices as well as for fundamental studies in magnetic graphene systems.