Crystal and magnetic structures of the $x=0.2$ member of La$_{\rm 0.8-x}$Tb$_{\rm x}$Ca$_{0.2}$CoO$_3$ perovskite series have been determined from the powder neutron diffraction. Enhancement of the diffraction peaks due to ferromagnetic or cluster glass ordering is observed below $T_C=55$ K. The moments evolve at first on Co sites, and ordering of Ising-type Tb$^{3+}$ moments is induced at lower temperatures by a molecular field due to Co ions. The final magnetic configuration is collinear F$_x$ for cobalt subsystem, while it is canted F$_x$C$_y$ for terbium ions. The rare-earth moments align along local Ising axes within \textit{ab}-plane of the orthorhombic $Pbnm$ structure. The behavior in external fields up to $70-90$ kOe has been probed by the magnetization and heat capacity measurements. The dilute terbium ions contribute to significant coercivity and remanence that both steeply increase with decreasing temperature. A remarkable manifestation of the Tb$^{3+}$ Ising character is the observation of a low-temperature region of anomalously large linear term of heat capacity and its field dependence. Similar behaviours are detected also for other terbium dopings $x=0.1$ and 0.3.
In this paper we have studied, by means of high-resolution neutron powder diffraction and magnetic susceptibility, the structural and magnetic features of selected samples of the HoBaCo2O5+delta layered cobaltite in the low oxygen content range (0.02<delta<0.22). The results shows a strong antiferromagnetic contribution at room temperature coupled to an intermediate spin state of the Co3+ ions.
We report the effects of Al-doping on the structure and magnetic properties in CaBa(Co$_{1-x}$Al$_{x}$)$_4$O$_7$ (0$\leq$x$\leq$0.25). The system exhibits a structural transition from an orthorhombic symmetry to a hexagonal symmetry when the Al content exceeds $x =$ 0.1. The Curie temperature and the value of the magnetization decrease with increasing Al doping level, indicating that the ferrimagnetic ground state is gradually suppressed. The ground state eventually transits into a spin-glass state for $x >$ 0.1. Moreover, the short-range magnetic correlations, which occur at high temperatures…
We systematically studied the magnetic and transport properties for the polycrystalline samples of Fe-doped perovskite cobaltites: Pr$_{1-y}$Ca$_{y}$Co$_{1-x}$Fe$_x$O$_3$ ($y$=0.3, $x$=0-0.15; $y$=0.45, $x$=0-0.3) and Gd$_{0.55}$Sr$_{0.45}$Co$_{1-x}$Fe$_x$O$_{3}$ ($x$=0-0.3). Fe doping leads to an enhancement of the ferromagnetism in the systems of Pr$_{1-y}$Ca$_{y}$Co$_{1-x}$Fe$_x$O$_3$, while the ferromagnetism is suppressed with further increasing Fe content and spin-glass behavior is observed at high doping level of Fe. In contrast, the ferromagnetism is suppressed in the system Gd$_{0.55}…
The mixed ferrite-cobaltites LnFe0.5Co0.5O3, with Ln = Eu & Dy have been prepared by a sol-gel method and the samples have been characterized using X-ray diffraction and electron microscopy. The magnetic investigations reveal that both samples ordered in canted antiferromagnetic structures near room temperature. The Dzyaloshinskii-Moriya or antisymmetric exchange interaction induces weak ferromagnetism due to canting of the antiferromagnetically ordered spins. In the case of Ln-Fe-Co orthoferrites, two magnetic sublattices (Ln3+-4f and Fe3+/Co3+-3d) generally align in opposite directions and i…
We present an extensive investigation (magnetic, electric and thermal measurements and X-ray absorption spectroscopy) of the Pr0.5Ca0.5CoO3 and (Pr1-yYy)0.7Ca0.3CoO3 (y=0.0625-0.15) perovskites, in which a peculiar metal-insulator (M-I) transition, accompanied with pronounced structural and magnetic anomalies, occurs at 76 K and 40-132 K, respectively. The inspection of the M-I transition using the XANES data of Pr L3-edge and Co K-edge proofs the presence of Pr4+ ions at low temperatures and indicates simultaneously the intermediate spin to low spin crossover of Co species on lowering the tem…
Control of materials through custom design of ionic distributions represents a powerful new approach to develop future technologies ranging from spintronic logic and memory devices to energy storage. Perovskites have shown particular promise for ionic devices due to their high ion mobility and sensitivity to chemical stoichiometry. In this work, we demonstrate a solid-state approach to control of ionic distributions in (La,Sr)CoO$_{3}$ thin films. Depositing a Gd capping layer on the perovskite film, oxygen is controllably extracted from the structure, up-to 0.5 O/u.c. throughout the entire 36…
We report on the magnetic, resistive, and structural studies of perovskite La$_{1/3}$Sr$_{2/3}$CoO$_{3-δ}$. By using the relation of synthesis temperature and oxygen partial pressure to oxygen stoichiometry obtained from thermogravimetric analysis, we have synthesized a series of samples with precisely controlled $δ=0.00-0.49$. These samples show three structural phases at $δ=0.00-0.15$, $\approx0.25$, $\approx0.5$, and two-phase behavior for other oxygen contents. The stoichiometric material with $δ=0.00$ is a cubic ferromagnetic metal with the Curie temperature $T_{\rm C}=274$ K. The increas…
Magnetism of a misfit layered cobaltite [Ca$_2$Co$_{4/3}$Cu$_{2/3}$O$_4$]$_x^{\rm RS}$[CoO$_2$] ($x \sim$ 0.62, RS denotes a rocksalt-type block) was investigated by a positive muon spin rotation and relaxation ($μ^+$SR) experiment. A transition to an incommensurate ({\sf IC}) spin density wave ({\sf SDW}) state was found below 180 K (= $T_{\rm C}^{\rm on}$); and a clear oscillation due to a static internal magnetic field was observed below 140 K (= $T_{\rm C}$). Furthermore, an anisotropic behavior of the zero-field $μ^+$SR experiment indicated that the {\sf IC-SDW} propagates in the $a$-$b$ …
A positive muon spin rotation and relaxation ($μ^+$SR) experiment on [Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$], ({\sl i.e.}, Ca$_3$Co$_4$O$_9$, a layered thermoelectric cobaltite) indicates the existence of two magnetic transitions at $\sim$ 100 K and 400 - 600 K; the former is a transition from a paramagnetic state to an incommensurate ({\sf IC}) spin density wave ({\sf SDW}) state. The anisotropic behavior of zero-field $μ^+$SR spectra at 5 K suggests that the {\sf IC-SDW} propagates in the $a$-$b$ plane, with oscillating moments directed along the c-axis; also the {\sf IC-SDW} is found to exist not…
Through comprehensive density functional calculations, the crystallographic, magnetic and electronic properties of $Na_xCoO_2$ ($x$ = 1, 0.875, 0.75, 0.625 and 0.50) were investigated. We found that all Na ions in $NaCoO_2$ and $Na_{0.875}CoO_2$ share the basal coordinates with O ions. However, as $x$ decreases, some of Na ions move within the basal plane in order to reduce the in-plane Na$-$Na electrostatic repulsion. Magnetically, there was strong tendency for type A antiferromagnetism in the $Na_{0.75}CoO_2$ system, while all other Na deficient systems had a weaker ferromagnetic tendency. T…
Magnetic properties of La$_{1-x}$Ca$_{x}$CoO$_{3}$ (0.10 $\leq x\leq$ 0.25) are systemically studied in this work. All the samples exhibits the ferromagnetic state at low temperatures. However, their inverse low-field magnetic susceptibilities shows a sharply downward deviation from high-temperature Curie-Weiss paramagnetic behavior well above the ferromagnetic transition temperature ($T_C$), which indicates the presence of a ferromagnetic clustered state above $T_C$. A detailed analysis on the susceptibilities reveals that the short-range state in these Ca-doped samples can be well described …
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…
In this article we study the effects of a partial substitution of Ba with the smaller cation Ca in the layered cobaltites YBaCo_2O_{5+δ} for δ\approx 0.5. Neutron thermodiffractograms are reported for the compounds YBa_{0.95}Ca_{0.05}Co_2O_{5.5} (x_{Ca}=0.05) and YBa_{0.90}Ca_{0.10}Co_2O_{5.5} (x_{Ca}=0.10) in the temperature range 20 K \leq T \leq 300 K, as well as high resolution neutron diffraction experiments at selected temperatures for the samples x_{Ca}=0.05, x_{Ca}=0.10 and the parent compound x_{Ca}=0. We have found the magnetic properties to be strongly affected by the cationic subst…
Sol-gel derived thin films of Zn0.95Mn0.05O have been implanted with Ar9+ ions with doses viz. 5x10e14 ions/cm2 (low), 1x10e15 ions/cm2 (intermediate) and 1x10e16 ions/cm2 (high). Structural, morphological, optical and magnetic properties of the films have been investigated. Structural study confirmed single phase, wurtzite structure of the films. The absence of impurity phase has been confirmed from several measurements. Ion implantation induces a large concentration of point defects into the films as identified from optical study. All films exhibit well above room temperature (RT) intrinsic …
We investigate the occurrence of Hund's rule magnetism in C60(n+-) molecular ions, by computing the ground-state spin for all charge states n from -3 to +5. The two competing interactions, electron-vibration (e-v, including Jahn Teller, favoring low spin) and electron-electron (e-e, including Hund-rule exchange, favoring high spin), are accounted for based on previously computed ab-initio coupling parameters. Treating the ion coordinates as classical, we first calculate and classify the static Jahn-Teller distorted states for all n, inclusive of both e-v and e-e effects. We then correct the ad…
Ca3CoMnO6 is composed of CoMnO6 chains made up of face-sharing CoO6 trigonal prisms and MnO6 octahedra. The structural, magnetic, and ferroelectric properties of this compound were investigated on the basis of density functional theory calculations. Ca3CoMnO6 is found to undergo a Jahn-Teller distortion associated with the CoO6 trigonal prisms containing high-spin Co2+ (d7) ions, which removes the C3 rotational symmetry and hence uniaxial magnetism. However, the Jahn-Teller distortion is not strong enough to fully quench the orbital moment of the high-spin Co2+ ions thereby leading to an elect…
We show for the system La1-xCexCoO3 (0.1 <= x <= 0.4) that it is possible to synthesize electron-doped cobaltites by the growth of epitaxial thin films. For La1-xCexCoO3, ferromagnetic order is observed within the entire doping range (with the maximum of the Curie temperature, Tc, at x ca. 0.3), resulting in a magnetic phase diagram similar to that of hole-doped lanthanum cobaltites. The measured spin values strongly suggest an intermediate-spin state of the Co ions which has been also found in the hole-doped system. In contrast to the hole-doped material, however, where Tc is well above 200 K…
Simultaneous study of magnetic and electrocatalytic properties of cobaltites under extreme conditions expands understanding of physical and chemical processes proceeding in them with the possibility of their further practical application. Therefore, La0.6Sr0.4CoO3 (LSCO) nanopowders have been synthesized at different annealing temperatures tann = 850, 875, 900 C, and their multifunctional properties have been studied comprehensively. As tann increases, the rhombohedral perovskite structure of the LSCO becomes more single-phase, whereas average particle size and dispersion grow. Co ions are in …
Magnetism in lanthanum cobaltite (LCO, LaCoO$_3$) appears to be strongly dependent on strain, defects, and nanostructuring. LCO on strontium titanate (STO, SrTiO$_3$) is a ferromagnet with an interesting strain relaxation mechanism that yields a lattice modulation. However, the driving force of the ferromagnetism is still controversial. Experiments debate between a vacancy-driven or strain-driven mechanism for the ferromagnetism of epitaxial LCO. We found that a weak lateral modulation of the superstructure is sufficient to promote ferromagnetism. We find that ferromagnetism appears under unia…
We study theoretically the RKKY interaction between magnetic impurities on the surface of three-dimensional topological insulators, mediated by the helical Dirac electrons. Exact analytical expression shows that the RKKY interaction consists of the Heisenberg-like, Ising-like and DM-like terms. It provides us a new way to control surface magnetism electrically. The gap opened by doped magnetic ions can lead to a short-range Bloembergen-Rowland interaction. The competition among the Heisenberg, Ising and DM terms leads to rich spin configurations and anomalous Hall effect on different lattices.
DyFeO3 exhibits a weak ferromagnetism (TNFe ~ 645 K) that disappears below a spin-reorientation (Morin) transition at TSRFe ~ 50 K. It is also known that applied magnetic field induces ferroelectricity at the magnetic ordering temperature of Dy-ions (TNDy ~ 4.5 K). Here, we show that the ferroelectricity exists in the weak ferromagnetic state (TSRFe < T < TN,C) without applying magnetic field, indicating the crucial role of weak ferromagnetism in inducing ferroelectricity. 57Fe Mössbauer studies show that hyperfine field (Bhf) deviates from mean field-like behaviour that is observed in the wea…
The magnetic and thermodynamic properties of the complete Ln$_{2/3}$Cu$_3$Ti$_4$O$_{12}$ series were investigated. Here $Ln$ stands for the lanthanides La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb. %Most of the compounds were prepared as single phase polycrystalline powder %without any traces of impurities. Marginal amounts of %impurities $(< 2%)$ were detected $Ln=$ Gd, Er, and Tm. %Significant amounts of impurity phases were found for $Ln=$ Ce and Yb. All the samples investigated crystallize in the space group $Im\bar{3}$ with lattice constants that follow the lanthanide contractio…
By direct magnetization measurements, performed employing a new detection scheme, we demonstrate an electrical control of magnetization in wurtzite (Ga,Mn)N. In this dilute magnetic insulator the Fermi energy is pinned by Mn ions in the mid-gap region, and the Mn3+ ions show strong single-ion anisotropy. We establish that (Ga,Mn)N sustains an electric field up to at least 5 MV/cm, indicating that Mn doping turns GaN into a worthwhile semi-insulating material. Under these conditions, the magnetoelectric coupling may be driven by the inverse piezoelectric effect that stretches the elementary cel…
Recently synthesised Ba4NbMn3O12 belong to cluster magnets - systems with tightly bound groups of magnetism ions, in this case Mn3 trimers. Often such magnetic clusters can be described by molecular orbitals (MO), however strong electron correlations may invalidate this description. To understand the electronic and magnetic state of Ba4NbMn3O12 we carried out ab initio calculations and show that this system is better described not in MO picture, but as a system with electrons localized on the Mn ions, with strong intra-cluster and weaker inter-cluster exchange. The calculated spin of the Mn3 t…
We use symmetry analysis and first principles calculations to show that the linear magnetoelectric effect can originate from the response of orbital magnetic moments to the polar distortions induced by an applied electric field. Using LiFePO4 as a model compound we show that spin-orbit coupling partially lifts the quenching of the 3d orbitals and causes small orbital magnetic moments ($μ_{(L)}\approx 0.3 μ_B$) parallel to the spins of the Fe$^{2+}$ ions. An applied electric field $\mathbf{E}$ modifies the size of these orbital magnetic moments inducing a net magnetization linear in $\mathbf{E}…
We employ x-ray spectroscopy to characterize the distribution and magnetism of particular alloy constituents in (Ga,Fe)N films grown by metal organic vapor phase epitaxy. Furthermore, photoelectron microscopy gives direct evidence for the aggregation of Fe ions, leading to the formation of Fe-rich nanoregions adjacent to the samples surface. A sizable x-ray magnetic circular dichroism (XMCD) signal at the Fe L-edges in remanence and at moderate magnetic fields at 300 K links the high temperature ferromagnetism with the Fe(3d) states. The XMCD response at the N K-edge highlights that the N(2p) …
The magnetism of Al$_x$Fe$_{2-x}$GeO$_5$ from $x$ = 0.09 to $x$ = 0.91 with andalusite structure was examined. The magnetic properties of Al$_x$Fe$_{2-x}$GeO$_5$ at low temperatures were found to be weak ferromagnetic-like state for $x$ $<$ 0.3 and spin-glass state for $x$ $>$ 0.3. The small spontaneous magnetization that appears in the weak ferromagnetic-like phase would be due to the presence of Dzyaloshinsky-Moriya interaction or to the difference in the magnitude of the magnetic moment of Fe$^{3+}$ in the octahedral and trigonal bipyramidal sites. The appearance of the spin-glass phase ind…
Nanoscale CeO2 (nanoceria) is a prototypical system that presents d0 ferromagnetism. Using a combination of x-ray absorption spectroscopy, x-ray magnetic circular dichroism and modelling, we show that nanostructure, defects and disorder, and non-stoichiometry create magnetically polarized Ce 4f and O 2p hybridized states captured by the vacancy orbitals (Vorb) that are vital to ferromagnetism. Further, we demonstrate that foreign ions (Fe and Co) enhance the moment at Ce 4f sites while the number of Vorb is unchanged, pointing clearly to the mechanism of orbital hybridization being key missing…
We carried out density functional theory calculations to model the electronic structure and the magnetic interactions in copper doped anatase and rutile titanium dioxide in order to shed light on the potential of these systems as magnetic oxides using different density functional schemes. In both polymorphs copper dopant was found to be most stable in substitutional lattice positions. Ferromagnetism is predicted to be stable well above room temperature with long range interactions prevailing in the anatase phase while the rutile phase exhibits only short range superexchange interaction among n…
We report on a density functional theory study demonstrating the coexistence of weak ferromagnetism and antiferroelectricity in boron-deficient MgB6. A boron vacancy produces an almost one dimensional extended molecular orbital, which is responsible for the magnetic moment formation. Then, long-range magnetic order can emerge from the overlap of such orbitals above percolation threshold. Although there is a finite density of states at the Fermi level, the localized nature of the charge density causes an inefficient electron screening. We find that the Mg ions can displace from the center of th…
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…
We report the results of measurements of $^{27}$Al and $^{55}$Mn NMR spectra, the related spin-lattice relaxation rates, and the dc magnetic susceptibility of the stable decagonal quasicrystal Al$_{69.8}$Pd$_{12.1}$Mn$_{18.2}$. The temperature-variation of the magnetic susceptibility $χ(T)$ reveals that the Mn ions carry only an average magnetic moment of approximately $2μ_{\mathrm{B}}$, and confirms a spin-glass type freezing of the Mn-moments at $T_f=12$K. The NMR spectra reveal two partially resolved lines for the $^{27}$Al-nuclei, indicating that there are two different sets of environment…
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…
Multiferroics with coupling between ferroelectricity and magnetism have been pursued for decades. However, their magnetoelectric performances remain limited due to the common trade-off between ferroelectricity and magnetism. Here, a family of nitride perovskites is proposed as multiferroics with prominent physical properties and nontrivial mechanisms. Taking GdWN$_3$ as a prototype, our first-principles calculations found that its perovskite phases own large polarizations (e.g. $111.3$ $μ$C/cm$^2$ for the $R3c$ phase) and a magnetic moment $7$ $μ_{\rm B}$/Gd$^{3+}$. More interestingly, its fer…
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…
Magneto-optical spectroscopy in fields up to 30 Tesla reveals anomalies in the equilibrium and ultrafast magnetic properties of the ferrimagnetic rare-earth-transition metal alloy TbFeCo. In particular, in the vicinity of the magnetization compensation temperature, each of the magnetizations of the antiferromagnetically coupled Tb and FeCo sublattices show triple hysteresis loops. Contrary to state-of-the-art theory, which explains such loops by sample inhomogeneities, here we show that they are an intrinsic property of the rare-earth ferrimagnets. Assuming that the rare-earth ions are paramag…
Materials based on a crown ether complex together with magnetic ions, especially Cu(II), can be used to synthesize new low dimesional quantum spin systems. We have prepared the new crown ether complex Di-μ-chloro-bis(12-crown-4)-aquqdichloro-copper(II)-potassium, $K(C_8H_{16}O_4)_2CuCl_3{*}H_2O$ (1), determined its structure, and analyzed its magnetic properties. Complex (1) has a monoclinic structure and crystallizes in space group $P2_1/n$ with the lattice parameters of $a=9.5976(5)Å$, $b=11.9814Å, c=21.8713Å$ and $β=100.945(4)°$. The magnetic properties of this compound have been investigat…
$^{151}$Eu Mössbauer spectroscopy shows that yttrium substitution in mixed-valent $\rm EuPd_3S_4$ drives the initial 50:50 mix of Eu$^{3+}$ and Eu$^{2+}$ towards pure Eu$^{2+}$, whereas lanthanum substitution has the opposite effect, but only for substitution levels above 50\%. We find that total valence electron count and chemical pressure effects cannot account for the observed behaviour, however conserving the cell volume provides a consistent description of the changes in the Eu$^{2+}$:Eu$^{3+}$ ratio. Remarkably, lanthanum substitution also leads to a clear transition from static mixed-va…
Understanding the controlling principles of band gaps trends in d electron perovskites is needed both for gauging metal-insulator transitions, as well as their application in catalysis and doping. The magnitude of this band gap is rather different for different magnetic spin configurations. We find via electronic structure theory that the factors that connect gapping magnitudes to magnetism depend on the nature of the band edge orbital character (BEOC) and surprisingly scale with the number of antiferromagnetic contacts z$_i$ between neighboring transition metal ions. The dependence is weak wh…
The crystal structure of a disordered form of Cr$_{1/3}$NbS$_2$ has been characterized using diffraction and inelastic scattering of synchrotron radiation. In contrast to the previously reported symmetry (P6$_3$22), the crystal can be described by a regular twinning of an average P6$_3$ structure with three disordered positions of the Cr ions. Short-range correlations of the occupational disorder result in a quite intense and structured diffuse scattering; a static nature of the disorder was unambiguously attributed by the inelastic x-ray scattering. The diffuse scattering has been modeled usi…
We report a comprehensive high-pressure study on the antiferromagnetic topological insulator EuSn2As2 up to 21.1 GPa through measurements of synchrotron x-ray diffraction, electrical resistance, magnetic resistance, and Hall transports combined with first-principles calculations. No evident trace of a structural phase transition is detected. The Neel temperatures determined from resistance are increased from 24 to 77 K under pressure, which is resulted from the enhanced magnetic exchange couplings between Eu2+ ions yielded by our first-principles calculations. The negative magnetoresistance of…
Zn1-xRxO (R = Li, Mg, Cr, Mn, Fe and Cd) were obtained by using co-precipitation synthesis technique with constant weight percent of 3% from R ions. The phase composition, crystal structure, morphology, Density Functional Theory (DFT), and, magnetic properties were examined to comprehend the influence of Zn2+ partial substitution with R ions. X-ray diffraction shows that the ZnO lattice parameters were slightly affected by R doping and the doped sample crystallinity is enhanced. Our results show that introducing Cr, Mn and Fe along with Mg into ZnO induces a clear magnetic moment without any a…
We report on the microscopic magnetic model of a spin-1/2 magnet BaV$_3$O$_8$. In contrast to earlier phenomenological analysis, our density-functional band-structure calculations combined with quantum Monte-Carlo simulations establish a relatively simple and non-frustrated model of weakly coupled spin chains with the intrachain coupling of $J\sim$ 38 K and the Neel temperature of $T_N\sim$ 6 K, both in excellent agreement with the experiment. The intrachain coupling between the spin-1/2 V$^{+4}$ ions takes place via two contiguous V$^{+5}$O$_4$ tetrahedra forming an extended superexchange pat…
To date, the most widely-studied quantum anomalous Hall insulator (QAHI) platform is achieved by dilute doping of magnetic ions into thin films of the alloyed tetradymite topological insulator (TI) (Bi$_{1-x}$Sb$_x$)$_2$Te$_3$ (BST). In these films, long-range magnetic ordering of the transition metal substituants opens an exchange gap $Δ$ in the topological surface states, stabilizing spin-polarized, dissipationless edge channels with a nonzero Chern number $\mathcal{C}$. The long-range ordering of the spatially separated magnetic ions is itself mediated by electronic states in the host TI, l…
The self-interaction corrected density-functional calculations are performed for Re impurities and their pairs in silicon. Rhenium ions form in the host crystal not very tight pairs, with impurities separated by one Si atom or by a distance close to two silicon bonds. Comparison of formation energies for various pairs of substitutionals, interstitials, and mixed-site impurities favours the last type. Electron transfer from the interstitial into the substitutional impurity makes the both Re sites nonmagnetic, but the p-type and the n-type co-doping revives magnetism again, the latter more effic…
We present a microscopic theory that shows the importance of spin-orbit coupling in perovskite compounds with heavy ions. In BiFeO3 (BFO) the spin-orbit coupling at the bismuth ion sites results in a special kind of magnetic anisotropy that is linear in the applied E-field. This interaction can convert the cycloid ground state into a homogeneous antiferromagnet, with a weak ferromagnetic moment whose orientation can be controlled by the E-field direction. Remarkably, the E-field control of magnetism occurs without poling the ferroelectric moment, providing a pathway for reduced energy dissipat…
We have studied the electronic structure of Zn$_{0.9}$Fe$_{0.1}$O nano-particles, which have been reported to show ferromagnetism at room temperature, by x-ray photoemission spectroscopy (XPS), resonant photoemission spectroscopy (RPES), x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). From the experimental and cluster-model calculation results, we find that Fe atoms are predominantly in the Fe$^{3+}$ ionic state with mixture of a small amount of Fe$^{2+}$ and that Fe$^{3+}$ ions are dominant in the surface region of the nano-particles. It is shown that the roo…
High-quality (001)-oriented (pseudo-cubic notation) ferromagnetic YTiO$_3$ thin films were epitaxially synthesized in a layer-by-layer way by pulsed laser deposition. Structural, magnetic and electronic properties were characterized by reflection-high-energy-electron-diffraction, X-ray diffraction, vibrating sample magnetometry, and element-resolved resonant soft X-ray absorption spectroscopy. To reveal ferromagnetism of the constituent titanium ions, X-ray magnetic circular dichroism spectroscopy was carried out using four detection modes probing complimentary spatial scale, which overcomes a…
We have investigated spin and orbital magnetic moments of the Re 5d ion in the double perovskites A2FeReO6 (A = Ba, Sr, Ca) by X-ray magnetic circular dichroism (XMCD) at the Re L(2,3) edges. In these ferrimagnetic compounds an unusually large negative spin and positive orbital magnetic moment at the Re atoms was detected. The presence of a finite spin magnetic moment in a 'non-magnetic' double perovskite as observed in the double perovskite Sr2ScReO6 proves that Re has also a small, but finite intrinsic magnetic moment. We further show for the examples of Ba and Ca that the usually neglected …
In this study, the magnetism and electronic structure of LaTiO$_3$ bilayers along both the ($001$) and ($111$) orientations are calculated using the density functional theory. The band insulator LaScO$_3$ is chosen as the barrier layer and substrate to obtain the isolating LaTiO$_3$ bilayer. For both the ($001$)- and ($111$)-oriented cases, LaTiO$_3$ demonstrates the G-type antiferromagnetism as the ground state, similar to the bulk material. However, the electronic structure is significantly changed. The occupied bands of Ti are much narrower in the ($111$) case, giving a nearly flat band. As…
The magnetic Ln$^{3+}$ ions in the fergusonite and scheelite crystal structures form a distorted or stretched diamond lattice which is predicted to host exotic magnetic ground states. In this study, polycrystalline samples of the fergusonite orthotantalates $M$-LnTaO$_4$ (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er) are synthesized and then characterized using powder diffraction and bulk magnetometry and heat capacity. TbTaO$_4$ orders antiferromagnetically at 2.25 K into a commensurate magnetic cell with $\vec{k}=0$, magnetic space group 14.77 ($P2_1$$'/c$) and Tb moments parallel to the $a$-axis. No…
Magnetization measurements and time-of-flight neutron powder-diffraction studies on the high-temperature (300--980 K) magnetism and crystal structure (321--1200 K) of a pulverized YCrO$_3$ single crystal have been performed. Temperature-dependent inverse magnetic susceptibility coincides with a piecewise linear function with five regimes, with which we fit a Curie-Weiss law and calculate the frustration factor $f$. The fit results indicate a formation of magnetic polarons between 300 and 540 K and a very strong magnetic frustration. By including one factor $η$ that represents the degree of spi…
