The generalized Heusler compounds Mn2CoZ (Z = Al, Ga, In, Si, Ge, Sn, Sb) with the Hg2CuTi structure are of large interest due to their half-metallic ferrimagnetism. The complex magnetic interactions between the constituents are studied by first principles calculations of the Heisenberg exchange coupling parameters, and Curie temperatures are calculated from those. Due to the direct Mn-Mn exchange interaction in Mn2CoZ, the Curie temperature decreases, while the total moment increases when changing Z from one group to another. The exchange interactions are dominated by a strong direct exchange between Co and its nearest neighbor Mn on the B site, which is nearly constant. The coupling between the nearest-neighbor Mn atoms scales with the magnetic moment of the Mn atom on the C site. Calculations with different lattice parameters suggest a negative pressure dependence of the Curie temperature, which follows from decreasing magnetic moments. Curie temperatures of more than 800 K are predicted for Mn2CoAl (890 K), Mn2CoGa (886 K), and Mn2CoIn (845 K).
This work reports on structural and magnetic investigations of the Heusler compound Co$_2$FeSi. X-Ray diffraction and Mößbauer spectrometry indicate an ordered $L2_1$ structure. Magnetic measurements by means of X-ray magnetic circular dichroism and magnetometry revealed that this compound is, currently, the material with the highest magnetic moment ($6 μ_B$) and Curie-temperature (1100K) in the classes of Heusler compounds as well as half-metallic ferromagnets.
A concept is presented serving to guide in the search for new materials with high spin polarization. It is shown that the magnetic moment of half-metallic ferromagnets can be calculated from the generalized Slater-Pauling rule. Further, it was found empirically that the Curie temperature of Co$_2$ based Heusler compounds can be estimated from a seemingly linear dependence on the magnetic moment. As a successful application of these simple rules, it was found that Co$_2$FeSi is, actually, the half-metallic ferromagnet exhibiting the highest magnetic moment and the highest Curie temperature meas…
We investigate the effects of various dopants (M = K--Br) on the Curie temperature of the magnetic compound NdFe12 through first-principles calculations. Analysis by the Korringa--Kohn--Rostoker method with the coherent potential approximation reveals that doping the Fe sites with optimal concentrations of Ge and As is a promising strategy for increasing the Curie temperature. To search over a wider space, we also perform Bayesian optimization. Out of over 180,000 candidate compositions, co-doped systems with Co, Ge, and As are found to have the highest Curie temperatures.
The Curie temperature ($T_C$) of binary alloy compounds consisting of 3$d$ transition-metal and 4$f$ rare-earth elements is analyzed by a machine learning technique. We first demonstrate that nonlinear regression can accurately reproduce $T_C$ of the compounds. The prediction accuracy for $T_C$ is maximized when five to ten descriptors are selected, with the rare-earth concentration being the most relevant. We then discuss an attempt to utilize a regression-based model selection technique to learn the relation between the descriptors and the actuation mechanism of the corresponding physical ph…
The local atomic environments and magnetic properties were investigated for a series of Co(1+x)Fe(2-x)Si (0<x<1) Heusler compounds. While the total magnetic moment in these compounds increases with the number of valance electrons, the highest Curie temperature (Tc) in this series was found for Co1.5Fe1.5Si, with a Tc of 1069 K (24 K higher than the well known Co2FeSi). 57Fe Mössbauer spectroscopy was used to characterize the local atomic order and to estimate the Co and Fe magnetic moments. Consideration of the local magnetic moments and the exchange integrals is necessary to understand the tr…
The exchange interactions of Cr4N, Mn4N, Fe4N, Co4N, and Ni4N compounds with perovskite structure were calculated to obtain the Curie temperatures for these compounds from Monte Carlo calculations. Contrary to naive expectation, the exchange interactions vary markedly among these five compounds. In Fe4N, the intra-sublattice interaction of the Fe 3c atoms is strongly negative, leading to a significant reduction of the Curie temperature. The calculated Curie temperatures are 291K (Cr4N), 710K (Mn4N), 668K (Fe4N), 827K (Co4N), and 121K (Ni4N), in good agreement with experimental observations whe…
Combining density-functional theory calculations with a classical Monte Carlo method, we show that for B2-type FeCo compounds tetragonal distortion gives rise to a strong reduction of the Curie temperature $T_{\mathrm{C}}$. The $T_{\mathrm{C}}$ monotonically decreases from 1575 K (for $c/a=1$) to 940 K (for $c/a=\sqrtwo$). We find that the nearest neighbor Fe-Co exchange interaction is sufficient to explain the $c/a$ behavior of the $T_{\mathrm{C}}$. Combination of high magnetocrystalline anisotropy energy with a moderate $T_{\mathrm{C}}$ value suggests tetragonal FeCo grown on the Rh substrat…
The Heusler compounds Mn$_2$TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are of large interest due to their potential ferrimagnetic properties and high spin polarization. Here, we present calculations of the structural and magnetic properties of these materials. Their magnetic moment follows the Slater-Pauling rule $m = N_V - 24$. None of them is actually a perfect half-metallic ferrimagnet, but some exhibit more than 90% spin polarization and Curie temperatures well above room temperature. The exchange interactions are complex, direct and indirect exchange contributions are identified. The Cur…
Mn_5Ge_3C_x films with x>0.5 were experimentally shown to exhibit a strongly enhanced Curie temperature T_C compared to Mn_5Ge_3. In this letter we present the results of our first principles calculations within Green's function approach, focusing on the effect of carbon doping on the electronic and magnetic properties of the Mn_5Ge_3. The calculated exchange coupling constants revealed an enhancement of the ferromagnetic Mn-Mn interactions mediated by carbon. The essentially increased T_C in Mn_5Ge_3C is well reproduced in our Monte Carlo simulations and together with the decrease of the tota…
We study the dependence of magnetic interactions and Curie temperature in Ni(1+x)MnSb system on the Ni concentration within the framework of the density-functional theory. The calculation of the exchange parameters is based on the super-cell and frozen-magnon approaches. The Curie temperatures, Tc, are calculated within the random-phase approximation. In agreement with experiment we obtain decrease of the Curie temperature with increasing Ni content.
We use supercell and frozen-magnon approaches to study the dependence of the magnetic interactions in (Ga,Mn)As on the Mn concentration. We report the parameters of the exchange interaction between Mn spins and the estimates of the Curie temperature within the mean-field and random-phase approximations. In agreement with experiment we obtain a nonmonotonous dependence of the Curie temperature on the Mn concentration. We estimate the dependence of the Curie temperature on the concentration of the carries in the system and show that the decrease of the number of holes in the valence band leads t…
We study the interatomic exchange interactions and Curie temperatures in half-metallic semi Heusler compounds NiCrZ (Z=P, Se, Te) and NiVAs. The study is performed within the framework of density functional theory. The calculation of exchange parameters is based on the frozen-magnon approach. It is shown that the exchange interactions in NiCrZ vary strongly depending on the Z constituent. The Curie temperature, Tc, is calculated within the mean field and random phase approximations. The difference between two estimations is related to the properties of the exchange interactions. The predicted …
The interatomic exchange interactions and Curie temperatures in Ni-based full Heusler alloys Ni2MnX with X=Ga, In, Sn and Sb are studied within the framework of the density-functional theory. The calculation of the exchange parameters is based on the frozen-magnon approach. Despite closeness of the experimental Curie temperatures for all four systems their magnetism appeared to differ strongly. This difference involves both the Mn-Mn and Mn-Ni exchange interactions. The Curie temperatures, Tc, are calculated within the mean-field approximation by solving a matrix equation for a multi-sublattic…
We report the parameter-free, density functional theory calculations of interatomic exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn2VZ (Z=Al, Ge). To calculate the interatomic exchange interactions we employ the frozen-magnon approach. The Curie temperatures are calculated within the mean-field approximation to the classical Heisenberg Hamiltonian by solving a matrix equation for a multi-sublattice system. Our calculations show that, although a large magnetic moment is carried by Mn atoms, competing ferromagnetic (inter sublattice) and antifer…
Thermal control of exchange coupling between two strongly ferromagnetic layers through a weakly ferromagnetic Ni-Cu spacer and the associated magnetoresistance is investigated. The spacer, having a Curie point slightly above room temperature, can be cycled between its paramagnetic and ferromagnetic states by varying the temperature externally or using joule heating. It is shown that the giant magnetoresistance vanishes due to a strong reduction of the mean free path in the spacer at above ~30 % Ni concentration -- before the onset of ferromagnetism. Finally, a device is proposed and demonstrat…
A partial substitution of Sm by Ce can have drastic effects on the magnetic performance, because it will introduce strain in the structure and breaks the lattice symmetry in a way that enhances the contribution of the Co atoms to magnetocrystalline anisotropy. However, Ce substitutions, which are benefit to improve the magnetocrystalline anisotropy, are detrimental to enhance the Curie temperature (TC). With the requirements of wide operating temperature range of magnetic devices, it is important to quantitatively explore the relationship between the TC and ferromagnetic exchange energy. In th…
Based on first-principles electron structure calculations and employing the frozen-magnon approximation we study the exchange interactions in a series of transition-metal binary alloys crystallizing in the zinc-blende structure and calculate the Curie temperature within both the mean-field approximation (MFA) and random-phase approximation (RPA). We study two Cr compounds, CrAs and CrSe, and four Mn compounds: MnSi, MnGe, MnAs and MnC. MnC, MnSi and MnGe are isovalent to CrAs and MnAs is isoelectronic with CrSe. Ferromagnetism is particular stable for CrAs, MnSi and MnGe: All three compounds s…
We complete our earlier (Phys. Rev. B, {\bf 66}, 134435 (2002)) study of the electronic structure, exchange interactions and Curie temperature in (GaMn)As and extend the study to two other diluted magnetic semiconductors (GaCr)As and (GaFe)As. Four concentrations of the 3d impurities are studied: 25%, 12.5%, 6.25%, 3.125%. (GaCr)As and (GaMn)As are found to possess a number of similar features. Both are semi-metallic and ferromagnetic, with similar properties of the interatomic exchange interactions and the same scale of the Curie temperature. In both systems the presence of the charge carrier…
Employing first-principles electronic structure calculations in conjunction with the frozen-magnon method we study the effective exchange interactions and spin waves in local moment ferromagnets. As prototypes we have chosen three L2$_1$-type full Heusler alloys Cu$_2$MnAl, Ni$_2$MnSn and Pd$_2$MnSn, and the L1$_2$-type XPt$_3$ compounds with X= V, Cr and Mn. We have also included CoPt$_3$ which is a usual ferromagnet. In all compounds due to the large spatial separation ($\sim 4$ Å) of the magnetic transition metal atoms, the 3\textit{d} states belonging to different atoms overlap weakly and …
We explored the magnetic behavior of a common two-phase nanomagnetic system by Monte Carlo computer simulation of a modified Heisenberg model on a 3D complex lattice with single- and cluster-spins. The effect of exchange coupling between two component magnetic phases was studied on the enhancement in Curie temperature (ECT) of the intergranular amorphous region of a common duplex-phase alloy system, with numerous nano-crystallites embedded in amorphous matrix. The dependences of ECT were investigated systematically upon the nanocrystallite size, the volume fraction and the interspace among cry…
Heusler alloys are promising for several applications, including magnetic refrigeration, due to high magnetocaloric and magnetovolume effects. One way to optimize this potential is by increasing the magnetovolume effect. Using density functional theory with the Korringa-Kohn-Rostoker method, we calculate the effective exchange interaction energies and corresponding mean field Curie temperature as a function of the volume (hydrostatic pressure) in several L2 1 -type Co 2 YZ Heusler alloys. Different qualitative trends and signs of the pressure derivatives of the Curie temperature and moments ar…
The pressure dependence of electronic structure, exchange interactions and Curie temperature in ferromagnetic Heusler alloy Ni2MnSn has been studied theoretically within the framework of the density-functional theory. The calculation of the exchange parameters is based on the frozen--magnon approach. The Curie temperature, Tc, is calculated within the mean-field approximation by solving the matrix equation for a multi-sublattice system. In agrement with experiment the Curie temperature increased from 362K at ambient pressure to 396 at 12 GPa. Extending the variation of the lattice parameter be…
Magnetic materials have a plethora of applications ranging from informatics to energy harvesting and conversion. However, such functionalities are limited by the magnetic ordering temperature. In this work, we performed machine learning on the magnetic ground state and the Curie temperature (TC), using generic chemical and crystal structural descriptors. Based on a database of 2805 known intermetallic compounds, a random forest model is trained to classify ferromagnetic and antiferromagnetic compounds and to do regression on the TC for the ferromagnets. The resulting accuracy is about 86% for …
We present calculations of the exchange interactions and Curie temperatures in Cr-based pnictides and chalcogenides of the form CrX with X=As, Sb, S, Se and Te, and the mixed alloys CrAs$_{50}$X$_{50}$ with X=Sb, S, Se, and Te. The calculations are performed for Zinc Blende (ZB) structure for 12 values of the lattice parameter between 5.44 and 6.62 Å, appropriate for some typical II-VI and III-V semiconducting substrates. Electronic structure is calculated via the linear muffin-tin-orbitals (LMTO) method in the atomic sphere approximation (ASA), using empty spheres to optimize ASA-related erro…
We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for the itinerant ferromagnetism and an effective spin model for the finite-temperature magnetism. Curie temperatures are derived on the basis of a classical Heisenberg model mapped via Liechtenstein's formula for atomic-pair-wise exchange couplings. Relative trends with respect to the species of rare-earth elements in calculated Curie temperatures for R2Fe14B are in agreement with experimental trends. Quantitative comparison…
In this work the theoretical and experimental investigations of Co2TiZ (Z = Si, Ge, or Sn) compounds are reported. Half-metallic ferromagnetism is predicted for all three compounds with only two bands crossing the Fermi energy in the majority channel. The magnetic moments fulfill the Slater-Pauling rule and the Curie temperatures are well above room temperature. All compounds show a metallic like resistivity for low temperatures up to their Curie temperature, above the resistivity changes to semiconducting like behavior. A large negative magnetoresistance of 55% is observed for Co2TiSn at room…
Metallic Mn-based alloys with a nearest-neighbor Mn-Mn distance greater than 0.4 nm exhibit large, well-localized magnetic moments. Here we investigate the magnetism of tetragonal Au4Mn with a Curie temperature of 385 K, where manganese has a spin moment of 4.1 muB and its orbital moment is quenched. Since 80% of the atoms are gold, the spin orbit interaction is strong and Au4Mn exhibits uniaxial magnetocrystalline anisotropy with surface maze domains at room temperature. The magnetic hardness parameter of 1.0 is sufficient to maintain the magnetization along the c-axis for a sample of any sha…
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte-Carlo (MC), the Green's function method, and the renormalized spin-wave (RNSW). We find that the Green's function overestimates the Curie temperature in high-anisotropy regimes compared to MC, whereas…
In this work a simple concept was used for a systematic search for new materials with high spin polarization. It is based on two semi-empirical models. Firstly, the Slater-Pauling rule was used for estimation of the magnetic moment. This model is well supported by electronic structure calculations. The second model was found particularly for Co$_2$ based Heusler compounds when comparing their magnetic properties. It turned out that these compounds exhibit seemingly a linear dependence of the Curie temperature as function of the magnetic moment. Stimulated by these models, Co$_2$FeSi was revisi…
We show that symmetry of the crystal lattice of exchange magnets (containing only 3d magneto-active elements) does not change at the Curie point; only the magnetic symmetry of the crystal is decreasing in the transition point. In the non-exchange magnets (containing only rare-earth magneto-active elements), on the contrary, both the magnetic and crystal-chemical symmetry decrease at the Curie point. There is isotropic magnetic phase in exchange magnets; and their magnetic symmetry is described by color groups of magnetic symmetry of P-type. Non-exchange magnets do not have isotropic phase; the…
We perform a computational screening for two-dimensional magnetic materials based on experimental bulk compounds present in the Inorganic Crystal Structure Database and Crystallography Open Database. A recently proposed geometric descriptor is used to extract materials that are exfoliable into two-dimensional derivatives and we find 85 ferromagnetic and 61 anti-ferromagnetic materials for which we obtain magnetic exchange and anisotropy parameters using density functional theory. For the easy-axis ferromagnetic insulators we calculate the Curie temperature based on classical Monte Carlo simula…
Prediction of the Curie temperature is of significant importance for the design of ferromagnetic materials. Even though the Curie temperature has been estimated using the Heisenberg model, magnetic exchange coupling parameters widely used is thus far based on first-principles calculations at zero temperature. In the explicit consideration of temperature effects, it is important to minimise the total free energy, because the magnetic and phonon free energies correlate with each other. Here, we propose a first-principles thermodynamic approach to minimise the total free energy considering both t…
The high pressure synthesis, structure and magnetic properties of Ca_25Co_22O_56(OH)_28 are reported. The compound has a misfit structure, consisting of double, square calcium oxide hydroxide rock-salt-like layers between hexagonal CoO_2 layers. The misfit compound crystallizes in the monoclinic space group C2/m, and can be characterized by the coexistence of two subsystems with common a=4.893(5)A, c=8.825(9)A and b=95.745(8) parameters, and different b parameters: b_RS=4.894(5)A, and b_HEX=2.809(3)A, for the rock-salt and hexagonal type planes respectively. The compound shows Curie-Weiss para…
We have calculated Heisenberg exchange parameters for bcc-Fe, fcc-Co, and fcc-Ni using the scalar-relativistic spin-polarized Green function technique within the tight-binding linear muffin-tin orbital method and by employing the magnetic force theorem to calculate total energy changes associated with a local rotation of magnetization directions. We have also determined spin-wave stiffness constants and found the dispersion curves for metals in question employing the Fourier transform of calculated Heisenberg exchange parameters. Curie temperatures were calculated both in the mean-field approx…
Co$_2$FeSi crystallizes in the ordered L2$_1$ structure as proved by X-ray diffraction and Mößbauer spectroscopy. The magnetic moment of Co$_2$FeSi was measured to be about $6μ_B$ at 5K. Magnetic circular dichroism spectra excited by soft X-rays (XMCD) were taken to determine the element specific magnetic moments of Co and Fe. The Curie temperature was measured with different methods to be ($1100\pm20$)K. Co$_2$FeSi was found to be the Heusler compound as well as the half-metallic ferromagnet with the highest magnetic moment and Curie temperature.
Electronic structures, exchange interaction mechanism between magnetic ions and Curie temperature of Vanadium - doped Nitrides (AlN, GaN, and InN) are studied within KKR-LSDA-CPA. It is found that the ferromagnetic super-exchange interaction mechanism is dominant at low concentrations of Vanadium, but the anti-ferromagnetic super-exchange interaction appears and reduces the stabilization of ferromagnetism at sufficiently high concentrations (x > 0.10), especially for Vanadium-doped AlN and Vanadium- doped GaN. The estimation of the Curie temperature within the mean field approximation shows th…
We investigate a novel type of interlayer exchange coupling based on driving a strong/weak/strong ferromagnetic tri-layer through the Curie point of the weakly ferromagnetic spacer, with the exchange coupling between the strongly ferromagnetic outer layers that can be switched, on and off, or varied continuously in magnitude by controlling the temperature of the material. We use Ni-Cu alloy of varied composition as the spacer material and model the effects of proximity-induced magnetism and the interlayer exchange coupling through the spacer from first principles, taking into account not only …
Within the framework of mean field theory, we study the effects of multi-surface modification on Curie temperature of ferroelectric films using the transverse Ising model. The general nonlinear equations for Curie temperature of multi-surface ferroelectric films with arbitrary exchange constants and transverse fields are derived by the transfer matrix method. As an example, we consider a film consisting of top surface layers, bulk layers and bottom surface layers. Two types of surface modifications, modifications of a surface exchange constant and a surface transverse field are taken into acco…
Single crystals of a new ternary aluminide ErV$_2$Al$_{20}$ were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV$_2$Al$_{20}$ is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic moment $μ_{eff}$ = 9.27(1) $μ_B$ and Curie-Weiss temperature $Θ_{CW}$ = -0.55(4) K. The heat capacity measurements show a broad anomaly at low temperatur…
Magnetic susceptibility $χ$ of Bi$_{2-x}$Mn$_{x}$Se$_3$ ($x = 0.01-0.2$) was measured in the temperature range $4.2-300$ K. For all the samples, a Curie-Weiss behaviour of $χ(T)$ was revealed with effective magnetic moments of Mn ions corresponding to the spin value S=5/2, which couple antiferromagnetically with the paramagnetic Curie temperature $Θ\sim -50$ K. In addition, for the samples of nominal composition $x$ = 0.1 and 0.2 the effect of a hydrostatic pressure $P$ up to 2 kbar on $χ$ has been measured at fixed temperatures 78 and 300 K that allowed to estimate the pressure derivative of …
Reliably predicting bit-error rates in realistic heat-assisted magnetic recording simulations is a challenging task. Integrating the Landau-Lifshitz-Bloch (LLB) equation can reduce the computational effort to determine the magnetization dynamics in the vicinity of the Curie temperature. If one aims that these dynamics coincide with trajectories calculated from the atomistic Landau-Lifshitz-Gilbert equation, one has to carefully model required temperature dependent material functions such as the zero-field equilibrium magnetization as well as the parallel and normal susceptibilities. We present…
We consider the two-band double exchange model for manganites with Jahn-Teller (JT) coupling and explore the suppression of the ferromagnetism because of the JT distortion. The localized spins of the $\emph{t}_{2g}$ electrons are represented in terms of the Schwinger bosons, and two spin-singlet Fermion operators are introduced instead of the $e_{g}$ electrons' operators. In terms of the new Fermi fields the on-site Hund's interaction is in a diagonal form and one accounts for it exactly. Integrating out the spin-singlet fermions, we derive an effective Heisenberg model for a vector which desc…
We investigate the exchange coupling constant $J_{ij}$ in Nd$_x$Fe$_{1-x}$ amorphous alloys with different compositions within the framework of first-principles calculation. We observed a strong atomic-dependence of $J_{ij}$ and its fluctuations. We show that the composition strongly affects the distance dependence of $J_{ij}$. Composition dependence of calculated Curie temperatures is modest for $x<0.5$. To examine the effect of the local environment on the exchange couplings, we demonstrate combined analyses of the coordination structure and exchange coupling constants using the Gabriel grap…
Mn_2V_1-xCo_xZ (Z=Ga,Al and x=0, 0.25, 0.5, 0.75, 1) Heusler compounds have been synthesized to investigate the effect of Co substitution at the V site on the magnetic moment and Curie temperatures of half-metallic ferrimagnets Mn_2VGa and Mn_2VAl. The Co substituted compounds show a non linear decrease in lattice parameter without altering the crystal structure of the parent compounds. The end members Mn_2VGa and Mn_2CoGa have the saturation magnetization of 1.80 μ_B/f.u and 2.05 μ_B/f.u respectively whereas for the Mn_2V_0.5Co_0.5Ga compound, a near total magnetic moment compensation (0.10 μ…
The phenomenology of exchange bias effects observed in structurally single-phase alloys and compounds but composed of a variety of coexisting magnetic phases such as ferromagnetic, antiferromagnetic, ferrimagnetic, spin-glass, cluster-glass and disordered magnetic states are reviewed. The investigations on exchange bias effects are discussed in diverse types of alloys and compounds where qualitative and quantitative aspects of magnetism are focused based on macroscopic experimental tools such as magnetization and magnetoresistance measurements. Here, we focus on improvement of fundamental issu…
Contrasting roles of the superexchange and direct exchange interactions in the metal-insulator transitions of the 2D ferromagnetic $1T$-Fe$X_2$ ($X$=Cl, Br, I) monolayers
School of Physics and Optoelectronics, Shandong Normal University（山东师范大学物理与光电学院）
Brillouin light scattering spectroscopy from so-called standing spin waves in thin magnetic films is often used to determine the magnetic exchange constant. The data analysis of the experimentally determined spin-wave modes requires an unambiguous assignment to the correct spin wave mode orders. Often additional investigations are needed to guarantee correct assignment. This is particularly important in the case of Heusler compounds where values of the exchange constant vary substantially between different compounds. As a showcase, we report on the determination of the exchange constant (excha…
We investigate how a temperature reduction in z-direction influences the switching probability and the noise in heat-assisted magnetic recording (HAMR) for a bit in bit-patterned media with dimensions d=5nm and h=10nm. Pure hard magnetic bits are considered and simulations with a continuous laser pulse are performed using the atomistic simulation tool VAMPIRE. The results display that the switching behavior shows a thermally induced exchange spring effect. Simultaneously, both the AC and the DC noise increase. Additionally, we illustrate how an artificial Curie temperature gradient within the …
We have used single crystal X-ray diffraction methods to establish the crystal structures of a compound in the Pd-Mn-Si system and in the Pd-Mn-Ge system. The title compounds have structures related to the Fe$_2$P structure type and are ferromagnetic with Curie temperatures above the room temperature. Density functional electronic structure calculations help to understand the nature of the local moment ferromagnetism in these compounds. However neither the electronic structure calculations nor the magnetic measurements provide any evidence of half-metallic behavior.
By means of high resolution neutron powder diffraction at low temperature we have characterized the structural details of $\rm La_{x}Sr_{2-x}FeMoO_6$ ($0\leq {\rm x}\leq 0.5$) and $\rm Ca_{x}Sr_{2-x}FeMoO_6$ ($0\leq {\rm x}\leq 0.6$) series of compounds. This study reveals a similar variation of the mean bond-angle \FeOMo in both series. In contrast, the mean bond-distance \FeMoO\ increases with La but not with Ca substitution. Both series also present a different evolution of the Curie temperature ($T_C$), which raises in the La series and slightly decreases in the Ca one. We thus conclude th…
Manganese-rich Heusler compounds are attracting much interest in the context of spin transfer torque and rare-earth free hard magnets. Here we give a comprehensive overview of the magnetic properties of non-centrosymmetric cubic Mn$_2$-based Heusler materials, which are characterized by an antiparallel coupling of magnetic moments on Mn atoms. Such a ferrimagnetic order leads to the emergence of new properties that are absent in ferromagnetic centrosymmetric Heusler structures. In terms of the band structure calculations, we explain the formation of this magnetic order and the Curie temperatur…
Using \textit{ab-initio} methods we study structural, electronic and magnetic properties of two dimensional compounds with stoichiometry M$_2$N$_3$ (M-metal, N=S,Se,Te). Our study shows that structures with Cr, Ti, and Mn are stable, with significant binding energy. Also, such structures are semiconductors with narrow band gaps. We also show that Cr$_2$Se$_3$, Cr$_2$Te$_3$ and Mn$_2$Te$_3$ have considerable magnetic moments. The negative values of magnetic anisotropy energy suggest, that these materials can maintain ferromagnetic ordering in non-zero temperatures with estimated Curie temperatu…
