The signature of magnetism without a ferromagnet in a non-magnetic heterostructure is novel as well as fascinating from fundamental research point of view. It has been shown by Al'Mari et al: that magnetism can be induced at the interface of Cu/C60 due to change in density of states. However, the quantification of such interfacial magnetic moment has not been performed yet. In order to quantify the induced magnetic moment in Cu, we have performed X-ray magnetic circular dichroism (XMCD) measurements on Cu/C$_{60}$ multilayers. We have observed room temperature ferromagnetism in Cu/C$_{60}$ stack. Further XMCD measurements show that ~0.01 $μ_B$/atom magnetic moment has been induced in Cu at the Cu/C$_{60}$ interface.
The discovery of conducting two-dimensional electron gas (2DEG) and magnetism at the interface between insulating nonmagnetic oxides, as exemplified by the polar LaAlO3 and nonpolar SrTiO3 has raised prospects for attaining interfacial functionalities absent in the component materials. Yet, the microscopic origin of such emergent phenomena remains unclear, posing obstacles to design of improved functionalities. Using first principles defect calculations, we reveal a unifying polarity-induced defect mechanism for both conductivity and magnetism at polar-nonpolar interfaces of nonmagnetic insula…
We have studied the structural, electronic and magnetic properties of spinel $\rm Co_3O_4$(111) surfaces and their interfaces with ZnO (0001) using density functional theory (DFT) within the Generalized Gradient Approximation with on-site Coulomb repulsion term (GGA+U). Two possible forms of spinel surface, containing $\rm Co^{2+} $ and $\rm Co^{3+} $ ions and terminated with either cobalt or oxygen ions were considered, as well as their interface with zinc oxide. Our calculations demonstrate that $\rm Co^{3+} $ ions attain non-zero magnetic moments at the surface and interface, in contrast to…
Interface magnetism and topological structure of Fe on organic semiconductor film (Alq3) have been studied and compared with Fe film deposited directly on Si (100) substrate. To get information on the diffused Fe layer at the Fe/Alq3 interface, grazing incident nuclear resonance scattering (GINRS) measurements are made depth selective by introducing a 95% enriched thin 57Fe layer at the Interface and producing x-ray standing wave within the layered structure. Compared with Fe growth on Si substrate, where film exhibits a hyperfine field value of 32 T (Bulk Fe), a thick Fe- Alq3 interface has b…
There has been renewed interest in the use of magnetic nanoparticles to convert high frequency electromagnetic energy into heat. During the last decade, numerous examples in the field of catalysis, lightweight thermoplastic composites for aeronautical and automotive engineering, and biomedical applications as well, have flourished. In a recent Letter "Ultrathin Interface Regime of Core-Shell Magnetic Nanoparticles for Effective Magnetism Tailoring", Moon et al. DOI: 10.1021/acs.nanolett.6b04016 claim to have observed a new interface spin canting phenomenon in core-shell ferrrites that pushes h…
In this paper, we have tried to find out the origin of magnetism in Gold nanoparticles (Au- NPs). We observe that upon incorporating Gold nanoparticles (Au-NPs) in Fe3O4 nanoparticle medium the net magnetisation increases compared to the pure Fe3O4 nanoparticle medium. This increase of magnetization can be attributed to the large orbital magnetic moment formation at the Au/magnetic particle interface indicating that magnetism observed in Au-NPs is an interfacial effect. This interfacial effect has been supported by the observation of sudden transition from positive saturated magnetisation to a…
We demonstrate control of the magnetism of Pd(100) ultrathin films, which show d-electron quantum-well induced ferromagnetism, via modulation of the interface electronic state using density functional calculation. From an analysis based on the phase model, forming the Au/Pd(100) interface induces hybridization of the wave function of d-electron quantum-well states, and modulates the term of the scattering phase shift as a function of the reciprocal lattice point. In contrast, forming the Al interface, which has only s-electrons at the Fermi energy, cannot modify the scattering phase shift. Our…
We have carried out the growth of h-RFeO3 (001) (R=Lu, Yb) thin films on Fe3O4 (111)/Al2O3 (001) substrates, and studied the effect of the h-RFeO3 (001)/Fe3O4 (111) interfaces on the epitaxy and magnetism. The observed epitaxial relations between h-RFeO3 and Fe3O4 indicates an unusual matching of Fe sub-lattices rather than a matching of O sub-lattices. The out-of-plane direction was found to be the easy magnetic axis for h-YbFeO3 (001) but the hard axis for Fe3O4 (111) in the h-YbFeO3 (001)/Fe3O4 (111)/Al2O3 (001) films, suggesting a perpendicular magnetic alignment at the h-YbFeO3 (001)/Fe3O…
In this paper we study the possible relation between the electronic and magnetic structure of the TiO2/LaAlO3 interface and the unexpected magnetism found in undoped TiO2 films grown on LaAlO$_3$. We concentrate on the role played by structural relaxation and interfacial oxygen vacancies. LaAlO3 has a layered structure along the (001) direction with alternating LaO and AlO2 planes, with nominal charges of +1 and -1, respectively. As a consequence of that, an oxygen deficient TiO2 film with anatase structure will grow preferently on the AlO2 surface layer. We have therefore performed ab-initio …
The induced magnetic moments in the V 3d electronic states of interface atomic layers in a Fe(6ML)/V(7ML) superlattice was investigated by x-ray resonant magnetic scattering. The first V atomic layer next to Fe was found to be strongly antiferromagnetically polarized relatively to Fe and the magnetic moments of the next few atomic layers in the interior V region decay exponentially with increasing distance from the interface, while the magnetic moments of the Fe atomic layers largely remain bulk-like. The induced V moments decay more rapidly as observed by x-ray magnetic scattering than in sta…
Second harmonic generation magneto-optic Kerr effect (SHMOKE) experiments, sensitive to buried interfaces, were performed on a polycrystalline NiFe/FeMn bilayer in which areas with different exchange bias fields were prepared using 5 KeV He ion irradiation. Both reversible and irreversible uncompensated spins are found in the antiferromagnetic layer close to the interface with the ferromagnetic layer. The SHMOKE hysteresis loop shows the same exchange bias field as obtained from standard magnetometry. We demonstrate that the exchange bias effect is controlled by pinned uncompensated spins in t…
This article reviews static and dynamic interfacial effects in magnetism, focusing on interfacially-driven magnetic effects and phenomena associated with spin-orbit coupling and intrinsic symmetry breaking at interfaces. It provides a historical background and literature survey, but focuses on recent progress, identifying the most exciting new scientific results and pointing to promising future research directions. It starts with an introduction and overview of how basic magnetic properties are affected by interfaces, then turns to a discussion of charge and spin transport through and near int…
In this work we study the electronic structure and magnetism of a TiO2 film grown on another non-magnetic oxide such as a LaAlO3 (001) substrate, concentrating on the role played by structural relaxation and oxygen vacancies. Using Density Functional Theory ab-initio methods, we study the free-standing anatase film as well as the interfaces with either the LaO or AlO2 planes of LaAlO3, focusing on the possibility of magnetic solutions. Our results show that the interface LaO/TiO2 is favored against the AlO2/TiO2 one if no oxygen vacancies are present in the interface whereas the contrary happe…
Interfaces in the MgO-FeCoB-MgO trilayer have been studied with grazing incident nuclear resonance scattering (GINRS) using the x-ray standing waves (XSW) technique. High depth selectivity of the present method allows one to measure magnetism and structure at the two interfaces of FeCoB, namely, FeCoB-on-MgO and MgO-on-FeCoB, independently, yielding an intriguing result that both interfaces are not symmetric. A high-density layer with an increased magnetic hyperfine field at the FeCoB-on-MgO interface suggests different growth mechanisms at the two interfaces. The azimuthal angle-dependent mag…
To resolve the microscopic origin of magnetism in the Fe2O3/FeTiO3-system, we have performed density functional theory calculations taking into account on-site Coulomb repulsion. By varying systematically the concentration, distribution and charge state of Ti in a hematite host, we compile a phase diagram of the stability with respect to the end members and find a clear preference to form layered arrangements as opposed to solid solutions. The charge mismatch at the interface is accommodated through Ti4+ and a disproportionation in the Fe contact layer into Fe2+, Fe3+, leading to uncompensated…
By ab initio LMTO calculations in atomic-sphere approximation we have studied the interlayer exchange coupling between Fe films separated by Au spacers in infinite Fe/Au multilayers with (001) interface orientation. We also performed detailed calculations of the magnetization and charge profiles across the system. We find an enhancement of the Fe moments at the interface, which amount to $\approx 2.8$ $μ_B$ instead of the bulk value of 2.2 $μ_B$, and we also find a slight magnetic polarization of the order of 0.01 $μ_B$ at the Au interface layers. These results do not depend sensitively on the…
The Dzyaloshinskii-Moriya interaction (DMI) has been shown to stabilise Neél domain walls in magnetic thin films, allowing high domain wall velocities driven by spin current effects. DMI occurs at the interface between ferromagnetic and heavy metal layers with strong spin-orbit coupling, but details of the interaction remain to be understood and the role of proximity induced magnetism (PIM) in the heavy metal is unknown. We report interfacial DMI and PIM in Pt determined as a function of Au and Ir spacer layers in Pt/Co/Au,Ir/Pt. The length-scale for both interactions is sensitive to sub-nanom…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet interface that alters the interface magnetization when the electric polarization reverses. Using Fe/BaTiO3 multilayers as a representative model we show a sizable difference in magnetic moments of Fe and Ti atoms at the two interfaces dissimilar by the orientation of the local electric dipole moment. The predicted magnetoelectric effect is comparable in magnitude …
Emergent Interfacial Magnetism in Epitaxial RuO$_2$
Zhejiang University（浙江大学）；Westlake University（西湖大学）；Institute of Natural Sciences, Westlake Institute for Advanced Study（西湖高等研究院自然科学院）；Institute for Theoretical Sciences, Westlake Institute for Advanced Study（西湖高等研究院理论科学研究所）；New Cornerstone Science Laboratory, Department of Physics, Westlake University（西湖大学物理学院新基石科学实验室）
Possible ferromagnetism induced in otherwise non-magnetic materials has been motivating intense research in complex oxide heterostructures. Here we show that a confined magnetism is realized at the interface between SrTiO3 and two insulating polar oxides, BiMnO3 and LaAlO3. By using polarization dependent x-ray absorption spectroscopy, we find that in both cases the magnetic order is stabilized by a negative exchange interaction between the electrons transferred to the interface and local magnetic moments. These local magnetic moments are associated to Ti3+ ions at the interface itself for LaA…
We investigate the magnetic properties of the isostructural spinel-spinel interface of NiMn2O4(NMO)-Fe3O4. Although the magnetic transition temperature of the NMO film is preserved, both bulk and interface sensitive measurements demonstrate that the interface exhibits strong interfacial magnetic coupling up to room temperature. While NMO thin films have a ferrimagnetic transition temperature of 60K, both NiFe2O4 and MnFe2O4 are ferrimagnetic at room temperature. Our experimental results suggest that these magnetic properties arise from a thin interdiffused region of (Fe,Mn,Ni)3O4 at the interf…
The spin-density wave (SDW) state in thin chromium films is well known to be strongly affected by proximity effects from neighboring layers. To date the main attention has been given to effects arising from exchange interactions at interfaces. In the present work we report on combined neutron and synchrotron scattering studies of proximity effects in Cr/V films where the boundary condition is due to the hybridization of Cr with paramagnetic V at the interface. We find that the V/Cr interface has a strong and long-range effect on the polarization, period, and the Néel temperature of the SDW in …
We address the possibility of non-magnetic doping induced magnetism, in Li doped SnO2 nano-particles. The compounds have been prepared by solid state route at equilibrium and were found to be crystallized in single rutile phase. The magnetization measurements have shown that Li-doping induces magnetism in SnO2 for a particular range of Li concentration. However, for other Li concentrations, including pure SnO2, the samples exhibit diamagnetism. To investigate the possible origin of the induced magnetism, we have studied the variation of the magnetization as a function of the average nano-parti…
Giant magnetization of polyalanine monolayers on gold observed in resent years along with unusual large spin selectivity, the potential of the film and its temperature dependence are all explained in the context of vacuum polarization at the gold-monolayer interface. The enhancement is directly related to the fine structure constant, and involves a change in basic physical parameters including changes in the permeability of the vacuum and in the local zero point energy of the gold monolayer interface. Formation of an ordered state by the self-assembly process and the interaction of the monolay…
We here study magnetic properties of Ni$_{x}$Fe$_{1-x}$ using Augmented space recursion technique coupled with tight-binding linearized muffin tin orbital method. Also the spectral properties of this alloy has been studied here.
The electronic properties of the polar interface between insulating oxides is a subject of great current interest. An exciting new development is the observation of robust magnetism at the interface of two non-magnetic materials LaAlO_3 (LAO) and SrTiO_3 (STO). Here we present a microscopic theory for the formation and interaction of local moments, which depends on essential features of the LAO/STO interface. We show that correlation-induced moments arise due to interfacial splitting of orbital degeneracy. We find that gate-tunable Rashba spin-orbit coupling at the interface influences the exc…
The emergence of magnetism in otherwise nonmagnetic compounds and its underlying mechanisms have become the subject of intense research. Here we demonstrate that the nonmagnetic oxygen vacancies are responsible for an unconventional magnetic state common for titanate interfaces and surfaces. Using an effective multiorbital modelling, we find that the presence of localized vacancies leads to an interplay of ferromagnetic order in the itinerant t2g band and complex magnetic oscillations in the orbitally-reconstructed eg-band, which can be tuned by gate fields at oxide interfaces. The magnetic ph…
We discuss a new class of phenomena based on strong interaction between magnetic superstructures and vortices in superconductors in combined heterogeneous structures. An inhomogeneous magnetization can pin vortices or create them spontaneously changing drastically properties of the superconductor. On the other hand, the interaction between magnetic moments mediated by vortices can result in specific types of magnetic ordering. The same interaction can create coupled magnetic-superconducting defects. We discuss possible experimental observation of magnetism controlled vortex matter in supercond…
Using \textit{in situ} polarized neutron reflectometry, the depth resolved evolution of the magnetism and structure in a Pd/Fe/Pd trilayer thin-film is measured during growth. The initial film structure of Pd/Fe shows a small proximity induced magnetism in the underlayer and a magnetization in the Fe layer of $\approx1.6$\,$μ_{\text{B}}$ per Fe atom, less than the expected bulk value of $2.2$\,$μ_{\text{B}}$. Deposition of the Pd capping layer initially follows an island-like growth mode with subsequent coalescence. With increasing Pd deposition the Fe moment and the proximity-induced magnetis…
A fully relativistic ab-initio study on free Rh clusters of 13-135 atoms is performed to identify general trends concerning their magnetism and to check whether concepts which proved to be useful in interpreting magnetism of 3d metals are applicable to magnetism of 4d systems. We found that there is no systematic relation between local magnetic moments and coordination numbers. On the other hand, the Stoner model appears well-suited both as a criterion for the onset of magnetism and as a guide for the dependence of local magnetic moments on the site-resolved density of states at the Fermi leve…
Recent discoveries in two-dimensional (2D) magnetism have intensified the investigation of van der Waals (vdW) magnetic materials and further improved our ability to tune their magnetic properties. Tunable magnetism has been widely studied in antiferromagnetic metal thiophosphates MPX3. Substitution of metal ions M has been adopted as an important technique to engineer the magnetism in MPX3. In this work, we have studied the previously unexplored chalcogen X substitutions in MPX3 (M = Mn/Ni; X = S/Se). We synthesized the single crystals of MnPS3-xSex (0 < x < 3) and NiPS3-xSex (0 < x < 1.3) an…
Bilayers of the oxide 3d ferromagnet La$_{0.7}$Sr$_{0.3}$MnO$_{3}$ (LSMO) and the 5d paramagnet SrIrO$_{3}$ (SIO) with large spin-orbit coupling (SOC) have been investigated regarding the impact of interfacial SOC on magnetic order. For the growth sequence of LSMO on SIO, ferromagnetism is strongly altered and large out-of-plane-canted anisotropy associated with lacking magnetic saturation up to 4 T has been observed. Thin bilayer films have been grown coherently in both growth sequences on SrTiO$_3$ (001) by pulsed laser deposition and structurally characterized by scanning transmission elect…
Chemisorption on ferromagnetic and non-magnetic surfaces is discussed within the Newns-Anderson-Grimley model along with the Stoner model of ferromagnetism. In the case of ferromagnetic surfaces, the adsorption energy is formulated in terms of the change in surface magnetic moments. Using such a formulation, we address the issue of how an adsorbate's binding strength depends on the magnetic moments of the surface and how the adsorption process reduces/enhances the magnetic moments of the surface. Our results indicates a possible adsorption energy scaling relationship in terms surface magnetic …
A new route to $d^0$ magnetism is established with help of the first principles methods. Non-magnetic interstitial impurities from group 14 in the periodic table are found to induce $p$-orbital magnetism in polycrystalline PbO-type structures. The half-filled $p$-orbitals occupied by two electrons is generated on the impurity site for which the ferromagnetic state of high stability is guaranteed by the first Hund's rule. Since the impurity is embedded between layers of the host, its atomic radius is a key to tune not only its solubility but also the magnetic behavior: the on-site stability of …
Understanding magnetism in multiple magnetic sublattice system, driven by the interplay of varied nature of magnetic exchanges, is on one hand challenging and on other hand intriguing. Motivated by the recent synthesis of AA'BB'O_6 double double perovskites with multiple magnetic ions both at A- and B-sites, we investigate the mechanism of magnetic behavior in these interesting class of compounds. We find that the magnetism in such multiple sublattice compounds is governed by the interplay and delicate balance between two distinct mechanisms, a) kinetic energy-driven multiple sublattice double…
We report an element-specific investigation of electronic and magnetic properties of the graphene/Ni(111) system. Using magnetic circular dichroism, the occurrence of an induced magnetic moment of the carbon atoms in the graphene layer aligned parallel to the Ni 3d magnetization is observed. We attribute this magnetic moment to the strong hybridization between C $π$ and Ni 3d valence band states. The net magnetic moment of carbon in the graphene layer is estimated to be in the range of $0.05-0.1 μ_B$ per atom.
Here we propose to induce magnetism in semiconductor utilizing the unique properties of the interstitial defect to act as the magnetic impurity within the alpha-PbO crystal structure. The Pbi interstitial generates the p-localized state with two on-site electrons to obey the Hund's rule for their ordering. It is demonstrated that instead of Pb interstitial other non-magnetic impurities of s^2p^{x} outer shell configuration can be applied to induce d0 magnetism with possibility to tune the local magnetic moments mu_B by varying a number of electrons 1< x< 3. The magnetic coupling between such d…
We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in LaAlO$_3$/SrTiO$_3$ heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized) charge self-consistent combination of density functional theory (DFT) with dynamical mean-field theory (DMFT) beyond the realm of static correlation effects. Though many-body behavior is also active in the defect-free interface, a ferromagnetic instability occurs only with oxygen vacancies. A minimal Ti two-orbital $e_g$-$t_{2g}$ description for the correlat…
Search for single-molecule magnets (SMMs) with high blocking temperature (TB) is urgent for practical applications in magnetic recording, molecular spintronics and quantum computing. Based on the First-principles calculations, magnetic anisotropy energies (MAE) of the transition metal-Phthalocyanine (TM-Pc) molecules are investigated and the mechanism that determines the MAE of TM-Pc molecules is established. In particular, colossal MAE > 100 meV can be obtained by adding an Os atom on RuPc and OsPc, so these molecules may offer ultrahigh thermal stability in devices.
We perform a theoretical study of the magnetism induced in transition metal dioxides ZrO2 and TiO2 by substitution of the cation by a vacancy or an impurity from the groups 1A or 2A of the periodic table, where the impurity is either K or Ca. In the present study both supercell and embedded cluster methods are used. It is demonstrated that the vacancy and the K-impurity leads to a robust induced magnetic moment on the surrounding O-atoms for both the cubic ZrO2 and rutile TiO2 host crystals. On the other hand it is shown that Ca-impurity leads to a non magnetic state. The native O-vacancy does…
Magnetism is a key driving force controlling several thermodynamic and kinetic properties of Fe-Cr systems. We present a newly-developed TB model for Fe-Cr, where magnetism is treated beyond the usual collinear approcimation. A major advantage of this model consists in a rather simple fitting procedure. In particular, no specific properties of the binary system is explicitly required in the fitting database. The present model is proved to be accurate and highly transfer-able for electronic, magnetic and energetic properties of a large variety of structural and chemical environments: surfaces, …
We study the non-collinear exchange coupling across a trilayer magnetic junction consisting of two ferromagnets separated by a thin dilute magnetic semiconductor containing itinerant carriers with finite spin relaxation. It is remarkable that, by increasing the spin relaxation, the critical temperature is substantially enhanced and the shape of the magnetization curve becomes more mean-field like. We attribute these interesting changes to the broken time-reversal symmetry which suppresses the oscillatory Ruderman-Kittel-Kasuya-Yosida interaction. Our argument is further strengthened by the eme…
We show that oxygen vacancies at titanate interfaces induce a complex multiorbital reconstruction which involves a lowering of the local symmetry and an inversion of t2g and eg orbitals resulting in the occupation of the eg orbitals of Ti atoms neighboring the O vacancy. The orbital reconstruction depends strongly on the clustering of O vacancies and can be accompanied by a magnetic splitting between the local eg orbitals with lobes directed towards the vacancy and interface dxy orbitals. The reconstruction generates a two-dimensional interface magnetic state not observed in bulk SrTiO3. Using…
We investigate the angular dependence of the magnetoresistance of thin (< 1 nm), metallic SrTiO3 quantum wells epitaxially embedded in insulating, ferrimagnetic GdTiO3 and insulating, antiferromagnetic SmTiO3, respectively. The SrTiO3 quantum wells contain a high density of mobile electrons (~7x10^14 cm^-2). We show that the longitudinal and transverse magnetoresistance in the structures with GdTiO3 are consistent with anisotropic magnetoresistance, and thus indicative of induced ferromagnetism in the SrTiO3, rather than a nonequilibrium proximity effect. Comparison with the structures with an…
We have measured Re 5d spin and orbital magnetic moments in the ferrimagnetic double perovskite Sr2CrReO6 by X-ray magnetic circular dichroism at the L_{2,3} edges. In fair agreement with recent band-structure calculations [Vaitheeswaran et. al., Ref 1], at the Re site a large 5d spin magnetic moment of -0.68 mu_B and a considerable orbital moment of +0.25 mu_B have been detected. We found that the Curie temperature of the double perovskites A2BB'O6 scales with the spin magnetic moment of the 'non-magnetic' B' ion.
We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as a function of pressure. First, we apply a tight-binding total-energy model parameterized to first-principles linearized augmented planewave computations to examine various ferromagnetic, anti-ferromagnetic, and noncollinear spin spiral states at zero temperature. The tight-binding data are fit to a generalized Heisenberg Hamiltonian to describe the magnetic energy functional based on local moments. We then use Monte Carlo simulations to compute the magnetic susceptibility, …
We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the itinerant magnetism due to the defect-induced extended states has been observed. Calculated magnetic moments are equal to 1 $μ_B$ per hydrogen chemisorption defect and 1.12$-$1.53 $μ_B$ per vacancy defect depending on the defect concentration. The coupling between the magnetic moments is either ferromagnetic or antiferromagnetic, depending on whether the defects correspond to the same or t…
Through systematics density functional calculations, the mechanism of the substrate induced spin reorientation transition in FePc/O-Cu(110) was explained in terms of charge transfer and rearrangement of Fe-d orbitals. Moreover, we found giant magnetoelectric effects in this system, manifested by the sensitive dependences of its magnetic moment and magnetic anisotropy energy on external electric field. In particular, the direction of magnetization of FePc/O-Cu(110) is switchable between in-plane and perpendicular axes, simply by applying an external electric field of 0.5 eV/Å along the surface …
EuTiO_3, which is a G-type antiferromagnet below T_N = 5.5 K, has some fascinating properties at high temperatures, suggesting that macroscopically hidden dynamically fluctuating weak magnetism exists at high temperatures. This conjecture is substantiated by magnetic field dependent magnetization measurements, which exhibit pronounced anomalies below 200 K becoming more distinctive with increasing magnetic field strength. Additional results from muon spin rotation ($μ$SR) experiments provide evidence for weak fluctuating bulk magnetism induced by spin-lattice coupling which is strongly support…
The structure and magnetic properties of Co clusters, comprising from 26 to 2700 atoms, self-organized or not on the graphene/Ir(111) moiré, were studied in situ with the help of scanning tunneling microscopy and X-ray magnetic circular dichroism. Surprisingly the small clusters have almost no magnetic anisotropy. We find indication for a magnetic coupling between the clusters. Experiments have to be performed carefully so as to avoid cluster damage by the soft X-rays.
A recent experimental study (Phys. Rev. Appl. 9, 024023, 2018) on paramagnetic CeCo$_3$ finds that Magnesium alloying induces a ferromagnetic transition with intrinsic properties large enough for permanent magnet applications. Here we explain these surprising results \textit{via} a first principles study of the electronic structure and magnetism of Magnesium-alloyed CeCo$_3$. We find the origin of this Magnesium-induced ferromagnetic transition to be Stoner physics - the substantial increase in the Fermi-level density-of-states $N(E_F)$ with Mg alloying. Our calculations suggest that both Ce a…
We address the importance of the modern theory of orbital magnetization for spintronics. Based on an all-electron first-principles approach, we demonstrate that the predictive power of the routinely employed "atom-centered" approximation is limited to materials like elemental bulk ferromagnets, while the application of the modern theory of orbital magnetization is crucial in chemically or structurally inhomogeneous systems such as magnetic thin films, and materials exhibiting non-trivial topology in reciprocal and real space,~e.g.,~Chern insulators or non-collinear systems. We find that the mo…
ThCr2Si2-type phosphide ACo2P2 (A=Rare earth elements) has the same structure as iron arsenides, but their magnetic behaviors are quite distinct. In this paper, we for the first time grew a series of La1-xCexCo2P2 single crystals (x=0.0 to1.0), and made structural and magnetic characterizations. This allows us to carry out a careful investigation on the evolution of magnetism with cerium content and build a magnetic phase diagram. We found that the introduction of cerium induces a rapid decrease of c-axis and a change from ferromagnetic (FM) to antiferromagnetic (AFM) states. By employing firs…
We study the magnetic and electronic properties of defects in SnO$_{2}$ using pseudopotential and all electron methods. Our calculations show that bulk SnO$_{2}$ is non-magnetic, but it shows magnetism with a magnetic moment around 4.00 $μ_{B}$ due to Sn vacancy (V$_\mathrm{Sn}$). The magnetic moment comes mainly from O atoms surrounding V$_\mathrm{Sn}$ and Sn atoms, which couple antiferromagnetically with the O atoms in the presence of V$_\mathrm{Sn}$. The coupling between different Sn vacancies is also studied and we find that these defects not only couple ferromagnetically but also antiferr…
We have performed ab initio calculations to systematically investigate electronic properties and magnetism of insulating non-magnetic beryllium monoxide nanotubes induced by non-magnetic sp impurities: boron, carbon and nitrogen. We found that in the presence of these sp impurities, which replace oxygen atoms, the non-magnetic BeO NTs transform into magnetic semiconductors, which acquire magnetization caused by spin splitting of (B,C,N) 2p states located in the forbidden gap of a BeO tube. The magnetic moments of the impurities vary from 0.65 to 1.60. On the contrary, when (B,C,N) dopants subs…
