Ferromagnetic State Research Articles

Collective excitations in magnetic topological insulators and axion dark matter search

We investigate collective excitations in magnetic topological insulators (TIs) and their impact on axion detection. In the three-dimensional TI model with the Hubbard term, the effective action of magnons and amplitude modes is formulated by dynamical susceptibility under the antiferromagnetic and ferromagnetic states. One of the amplitude modes is identified as “axionic” quasi-particle and its effective coupling to the electromagnetic fields turns out to be enhanced by about four orders of magnitude larger than the previous estimate, which may drastically change the sensitivity of the axion search using “axion” in magnetic TIs.

Half-Metal Ferromagnetism V-Doped GaN Nanosheet Application in Spintronic Device

The density functional theory calculations using general gradient approximation (GGA) have been systematically performed to study the electronic structures, the density of states (DOS), and magnetic properties of V-doped GaN nanosheet for different dopant concentrations (2.08% and 4.16%). We conducted the entire study using the Atomistixtool kit code. The electronic properties were improved with the Hubbard values U = 4 eV. V-doped CaN nanosheet exhibits stable ferromagnetic (FM) states relative to corresponding antiferromagnetic (AFM) states. The calculated TC with the V-doping is found to be above the room temperature (RT) one. Calculation results reveal that V-doped nanosheets may be a good candidates for spintronics due to its good half-metal ferromagnetism.

Residual Ferromagnetic Regions Affecting the First-Order Phase Transition in Off-Stoichiometric Fe-Rh.

Among the magnetocaloric materials featuring first-order phase transitions (FOPT), FeRh is considered as a reference system to study the FOPT because it is a "simple" binary system with a CsCl structure exhibiting a large adiabatic temperature change. Recently, ab initio theory predicted that changes in the Fe/Rh stoichiometry in the vicinity of equiatomic composition strongly influence the FOPT characteristics. However, this theoretical prediction was not clearly verified experimentally. Here, we investigated the composition dependence of the transitional hysteresis in FeRh. It is shown that a Fe excess of only 1 at. % induces a ferromagnetic state in the whole temperature range (from 5 K up to Tc) for a minor portion of the sample (≈10%), while 5 at. % is enough to completely eliminate the FOPT. Element-specific X-ray magnetic circular dichroism (XMCD) measurements suggest that this ferromagnetic contribution arises from residual FeRh ferromagnetic regions. We attribute the formation of such domains to Fe antisite defects, as Mössbauer spectroscopy demonstrates the presence of Fe atoms located at the 1b (Rh) sites in the CsCl-type structure. As a consequence, compared with the equiatomic composition, the slightly Fe-rich sample exhibits completely different FOPT properties, influencing the magnetocaloric performances. Thus, our study sheds light on the origin of the remarkable stoichiometric sensitivity of the FOPT behavior in FeRh. These insights have broader implications for understanding FOPT dynamics and the role of residual ferromagnetic domains.

Unusual Anomalous Hall Effect in Two-Dimensional Ferromagnetic Cr7Te8

Two-dimensional (2D) materials with inherent magnetism have attracted considerable attention in the fields of spintronics and condensed matter physics. The anomalous Hall effect (AHE) offers a theoretical foundation for understanding the origins of 2D ferromagnetism (2D-FM) and offers a valuable opportunity for applications in topological electronics. Here, we present uniform and large-size 2D Cr7Te8 nanosheets with varying thicknesses grown using the chemical vapor deposition (CVD) method. The 2D Cr7Te8 nanosheets with robust perpendicular magnetic anisotropy, even a few layers deep, exhibit a Curie temperature (TC) ranging from 180 to 270 K according to the varying thickness of Cr7Te8. Moreover, we observed a temperature-induced reversal in the sign of the anomalous Hall resistance, correlating with changes in the intrinsic Berry curvature. Additionally, the topological Hall effect (THE) observed at low temperatures suggests the presence of non-trivial spin chirality. Our findings about topologically non-trivial magnetic spin states in 2D ferromagnets provide a promising opportunity for new designs in magnetic memory spintronics.

The mysterious magnetic ground state of Ba14MnBi11 is likely self-doped and altermagnetic

Magnetism in the Zintl compound Ba14MnBi11 is rather poorly understood. Experimental claims are largely inconsistent with ab initio calculations, much beyond typical errors of the latter. We revisit this old problem, assuming that the root of the problem may be in nonstoichiometry of existing samples. Our key finding is that the magnetic ground state is indeed very susceptible to charge doping (band filling). Calculations for stoichiometric Ba14MnBi11 give a rather stable ferromagnetic metallic state, in agreement with previous publications. However, by adding exactly one electron per Mn, the system becomes semiconducting as expected, and becomes weakly antiferromagnetic (AF). On the other hand, upon small amount of hole doping, the system transitions to a special type of AF state known as altermagnetism. Furthermore, hole and electron doping-induced phase transitions result from different underlying mechanisms, influencing different exchange pathways. We propose that the inconsistency between experiment and theory is not a failure of the latter, but results from a nontrivial ramification of nonstoichiometry. The possibility of doping-stabilized altermagnetism is exciting.

Particle-Hole Asymmetric Ferromagnetism and Spin Textures in the Triangular Hubbard-Hofstadter Model

In a lattice model subject to a perpendicular magnetic field, when the lattice constant is comparable to the magnetic length, one enters the “Hofstadter regime,” where continuum Landau levels become fractal magnetic Bloch bands. Strong mixing between bands alters the nature of the resulting quantum phases compared to the continuum limit; lattice potential, magnetic field, and Coulomb interaction must be treated on equal footing. Using determinant quantum Monte Carlo and density matrix renormalization group techniques, we study this regime numerically in the context of the Hubbard-Hofstadter model on a triangular lattice. In the field-filling phase diagram, we find a broad wedge-shaped region of ferromagnetic ground states for filling factor ν≤1, bounded below by filling factor ν=1 and bounded above by half filling the lowest Hofstadter subband. We observe signatures of SU(2) quantum Hall ferromagnetism at filling factors ν=1 and ν=3. The phases near ν=1 are particle-hole asymmetric, and we observe a rapid decrease in ground-state spin polarization consistent with the formation of skyrmions only on the electron doped side. At large fields, above the ferromagnetic wedge, we observe a low-spin metallic region with spin correlations peaked at small momenta. We argue that the phenomenology of this region likely results from exchange interaction mixing fractal Hofstadter subbands. The phase diagram derived beyond the continuum limit points to a rich landscape to explore interaction effects in magnetic Bloch bands. Published by the American Physical Society 2024

Unveiling half-metallic, thermoelectric and optoelectronic behavior of the new Heusler alloy RbCrZ (Z = Si, Ge): a DFT perspective

Abstract Utilizing the density functional theory (DFT) method, this study aims to predict with precision the structural, elastic, electronic, magnetic, thermoelectric, thermal, and optical properties of two recently discovered half-Heusler alloys, namely RbCrSi and RbCrGe. The exchange and correlation potential are accounted for using the generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE) and the Tran–Blaha-modified Becke–Johnson exchange potential (TB-mBJ). Through structural analysis, it is observed that both RbCrSi and RbCrGe alloys exhibit energetic stability in a type-3 structure with a ferromagnetic (FM) state. Both alloys exhibit half-metallic properties and integer magnetic moments of 3 μB, following the Slater-Pauli rule. Additionally, elastic calculations confirm their mechanical stability and anisotropic ductile behavior. The quasi-harmonic Debye model (QHDM) is employed for calculating thermodynamic properties, while the BoltzTraP code, based on semi-classical Boltzmann theory (SCBT), is utilized for evaluating thermoelectric properties. Findings reveal that RbCrZ alloys (with Z = Si, Ge) exhibit high figure of merit (ZT) values nearing unity at highest temperature. Consequently, the newfound half-Heusler alloys RbCrSi and RbCrGe hold significant promise for applications in thermoelectricity and spintronic devices. This comprehensive analysis underscores the potential of these alloys in the realm of renewable energy applications.

First−Principle Study on Electronic Structure and Magnetism in Doped Boron Phosphide Nanosheet

Based on the first‐principles calculation of density‐functional theory, the electronic structure and magnetic properties of hexagonal boron phosphide (h‐BP) with doping and applying strain to the transition‐metal (TM = Cr, Mn, Fe, Co, and Ni) elements are investigated. After the TM elements are introduced, the magnetism is induced. The magnetic moments are 3.00, 3.87, 1.00, 1.99, and 1.00 μB, respectively, which mainly contributed by the 3d orbitals of TM elements. In the case of magnetic coupling, Cr–Cr are mainly coupled antiferromagnetically at different distances. In addition, Fe–Fe performs a ferromagnetic state, and Co–Co represents an antiferromagnetic state with the distance of 3.213 Å. After applied strain, Co doped of the system shows the characteristics of semimetals under the application of 4% strain. It can be added that for h‐BP systems, doping Co and Mn increases its conductivity, which is beneficial to the study of spintronic materials.

Doping dependent magnetic and thermoelectric response of perovskite BaGeO3 for spintronics and energy applications

Using ab-initio simulations, we have investigated the magnetic and thermoelectric response of the pristine and Mn-, Ni-, and In-doped BaGeO3 at Ge-site. The dopants Mn, Ni, and In can be doped at Ge-site due to lower formation energies. The dopants significantly alter the electronics properties of BaGeO3. Interestingly, the In-BaGeO3 exhibits half-metallic nature. Furthermore, our doped system exhibit the magnetic behaviour with 100 % polarization near Fermi level. Additionally, the spin orientation favors the ferromagnetic (FM) states for Mn-BaGeO3. Furthermore, the realization of magnetic anisotropy energy (MAE) may pave the way to use BaGeO3 for applications in magnetic devices. Moreover the zT (0.95) is enhanced for In-BaGeO3. Thus, our studied configuration could potential candidate for thermoelectric insulation as well as thermoelectric cooling applications. We are expecting that our findings could open the ways to utilize the BaGeO3 in the domain of spintronics and magnetic semiconductor devices applications.

Surface weak ferromagnet coupling induced giant room-temperature spontaneous exchange bias in antiferromagnet Fe3BO6 polycrystals.

The spontaneous exchange bias effect (SEB) has wide application prospects in information storage technologies. In this study, nanoscale raw materials were used to fabricate antiferromagnetic Fe3BO6 polycrystals. The obtained Fe3BO6 exhibited a large SEB effect, where the value of the spontaneous exchange bias field at room temperature was as large as ∼4234 Oe. The room-temperature training effect, temperature-dependence, and maximum field-dependence of the HSEB were investigated. We propose that this giant SEB originates from the exchange-coupling interactions between the weak ferromagnetic surface state and the bulk antiferromagnetic state. The theoretical analysis results were further verified by comparing the magnetic properties of the Fe3BO6 with relatively low crystallinity. The results of this investigation will help find promising candidate materials for devices based on the SEB effect.

Evidence for a Griffiths Phase to Cluster Spin Glass Transition in the La2/3Sr1/3(Mn1-3 xAl2 xTix)O3 System.

The presence of Griffiths phase to cluster spin glass transition has theoretically been predicted in both classical and quantum systems. However, its detection in a classical system has been lacking for decades, which hinders a complete understanding of the relationship between the Griffiths phase and cluster spin glass. Here, the experimental discovery of the Griffiths phase to cluster spin glass transition is reported in a classical magnetic system, diluted ferromagnets La2/3Sr1/3(Mn1-3 xAl2 xTix)O3 (0 ≤ x ≤ 0.12). The phase diagram of the system shows a transition from the Griffiths phase into a ferromagnetic state in the low disorder concentration range (0.01 < x ≤ 0.09). In the high disorder concentration range (0.09 < x ≤ 0.12), a Griffiths phase to cluster spin glass transition is identified, which nicely matches that of disordered quantum systems. Moreover, the Griffiths phase is essentially an unfrozen cluster spin glass with partially broken ergodicity is demonstrated experimentally. These findings serve as crucial experimental references for understanding the glassy phenomena in disordered magnets, facilitating future exploration of their unique properties and functionalities.

Role of biquadratic exchange on thermodynamic quantities in anisotropic Heisenberg model

The magnetic and thermodynamic properties of the spin-1 anisotropic Heisenberg system are studied within Oguchi approximation. The system contains both the bilinear and biquadratic exchange interactions between the nearest neighboring spins located on a centered honeycomb lattice. For the positive biquadratic exchange interaction parameters, the phase transition in the Heisenberg case is of both second and first order where there is a discontinuity in the thermodynamic properties at this transition temperature. For some negative biquadratic exchange interaction parameters, in both the Heisenberg and Ising cases, the ferromagnetic state changes in favor of the antiferromagnetic state. The frustrated antiferromagnetic structure created by the biquadratic exchange parameter with negative sign was shown significantly influence the magnetization, quadrupolar moment, internal energy, heat capacity, entropy and free energy of the system, where the system has an oscillating chaotic phase regime. A double peak behavior was observed in the specific heat, with one at the critical temperature and another at a low temperature.

Hysteresis behavior and magnetocaloric effect in MnNiGa[formula omitted] full-Heusler alloy

In this manuscript, we studied the magnetic, magnetocaloric, and hysteresis properties of the MnNiGa2 full-Heusler alloy using mean-field theory and first-principles calculations. Initially, we employed the GGA+U method to investigate the structural characteristics of the alloy. Our findings indicated that the ferromagnetic state, with an optimal lattice parameter of 5.88 Å, was the most stable compared to the antiferromagnetic states. Additionally, the exchange interactions, defined as the Hamiltonian parameters of the studied system, were calculated and used in the mean-field approximation. The second-order transition at a Curie temperature of Tc = 373 K, previously revealed experimentally, has been confirmed. Furthermore, the alloy exhibited a relative cooling power (RCP) of 260.43 J/kg and a magnetocaloric effect of 10.34 J/kg.K at an applied magnetic field of 1.4 T. These results suggest that MnNiGa2 is a promising candidate for magnetic refrigeration applications.

Thermally Driven Spin Transport of Epitaxial FeRh Films with a Non-magnetic Pt Layer via the Longitudinal Spin Seebeck Effect.

FeRh has been demonstrated to be an important material for the observation of magnetic phase transitions, such as the first-order transition from an antiferromagnetic (AFM) to a ferromagnetic (FM) state, in response to changes in the temperature. This is because of the magnetic moment induced in Rh atoms above the magnetic phase transition temperature. In the present study, we focus on the longitudinal spin Seebeck effect (LSSE), which involves the generation of spin voltage as a result of a temperature gradient in FM materials or FM insulators, and experimentally assess the effect of the crystalline quality of FeRh films and the properties of the substrate on the LSSE thermopower during the FM-AFM phase transition. The measured LSSE thermopower of an epitaxial (110)-oriented FeRh film grown on an Al2O3 substrate is approximately 60 times higher than that of a polycrystalline FeRh film on a SiO2/Si substrate. This can be explained by the high magnetic sensitivity and superior FM properties of (110)-oriented epitaxial FeRh films. Furthermore, by comparing the transverse thermoelectric voltage for in-plane magnetized (IM) and perpendicularly magnetized (PM) configurations, we quantitively evaluate the contribution of the exclusive anomalous Nernst effect (ANE) to the LSSE signals in the FeRh/Al2O3 structure, finding it to be approximately 15-30% over a temperature range of 75-300 K. LSSE measurements in Pt/FeRh films are thus demonstrated to provide a versatile pathway for the development of thermoelectric power generation applications and other practical spintronics and neuromorphic computing devices.

Observation of Néel-type magnetic skyrmion in a layered non-centrosymmetric itinerant ferromagnet CrTe1.38

Magnetic skyrmions are nanoscale vortex-like magnetization textures that hold great promise for next-generation memory and spintronic devices. While extensive research has focused on discovering such localized spin textures in bulk magnets and multilayers with heavy metals, there is a growing interest in finding them in two-dimensional (2D) magnetic materials. In this research work, we report two distinct phases of the 2D CrxTey family: non-centrosymmetric CrTe1.38 and centrosymmetric CrTe0.96, with a Curie temperature of around 200 and 300 K, respectively. Detailed magnetic study indicates a prominent out-of-plane magnetic anisotropy in CrTe1.38. In contrast, CrTe0.96 exhibits a weak uniaxial magnetic anisotropy. Lorentz transmission electron microscopy shows that the spontaneous ferromagnetic ground state of CrTe1.38 consists of Néel skyrmions, whereas CrTe0.96 exhibits Bloch domain walls, consistent with their crystalline symmetries. This research expands the quasi-2D CrxTey family and opens up new avenues for exploring non-trivial spin structures and their potential applications in spintronic devices.

Unveiling elevated curie temperature and exceptional perpendicular magnetic anisotropy in chlorinated monolayer CrI3

Due to the finite band gap and a ferromagnetic ground state, the CrI3 monolayer is attracting great research interests. However, the low Curie temperature of 46 K is one of the major obstacles for spintronics applications. Here, we have investigated the magnetic properties of chlorinated CrI3 monolayer with varying concentration of Cl. We investigated the dynamical and thermal stability by phonon dispersion and ab-initio molecular dynamic simulation. The band gap was decreasing with increasing Cl concentration and a half-metallic state is obtained at Cl concentration of 4.22 × 1014/cm2. The pristine CrI3 monolayer had perpendicular magnetic anisotropy energy of 0.84 meV/Cr. We find that this perpendicular magnetic anisotropy energy can be even enhanced twice by chlorination. Due to the hybridization of I and Cr atom, we found the spin asymmetric density of states in the iodine atom and this strong enhancement in the magnetic anisotropy originated from asymmetric spin features in iodine atom. We propose that the chlorination can increase the Curie temperature up to 204 K and this is almost four times enhanced value. Based on these finding, we propose that the chlorinated CrI3 system can be a promising material for spintronics applications.

Thermodynamic equilibrium of [formula omitted] Ising model on square lattice

We constructed a theoretical magnetic phase diagram in an external magnetic field T(P+), making it possible to determine the conditions for the existence of ferromagnets, antiferromagnets, and spin glass phases. The high-performance CUDA software package was used to the complete enumeration of all configurations of finite number spins in the ±J Ising model. We performed the rigorous numerical calculation of the partition function of N=8×8 systems of interacting spins with open boundary conditions. We used Monte Carlo methods like the Metropolis algorithm to calculate the critical temperatures for N=40×40 spins. The results of the Monte Carlo experiments are consistent with rigorous calculation data. The transition from the spin glass to the induced ferromagnetic state in an external field occurs without any critical change in the heat capacity. We used the ±J Ising model to calculate the instability line (AT—line) for the heat capacity of spin glass in the H−T diagram in an external magnetic field and the behavior of magnetic susceptibility in an external magnetic field. A rigorous calculation of the partition function allowed us to calculate all possible states and their thermodynamic probability. The calculation of the partition function meant that the model’s physics was obtained in an equilibrium state. The instability line was calculated for spin glass in the equilibrium state.

Exploring Half-Metallicity in NiO via TM and NTM Doping: Insights from LDA and LDA-SIC approaches

This study utilizes first-principles calculations to investigate the magnetic properties of NiO doped and co-doped with transition metals (TM) such as vanadium (V), chromium (Cr), and manganese (Mn) at low concentrations. By employing local density approximation (LDA) and self-interaction corrected local density approximation (LDA-SIC), we uncover a pronounced half-metallic behavior in the modified NiO systems. Additionally, the introduction of nitrogen into the doped NiO results in a substantial shift in the density of states (DOS), transforming the material from a non-half-metallic to a distinctly half-metallic ferromagnetic state. These findings offer valuable insights into the potential of doped and co-doped NiO for advancing spintronic applications.

Effect of edge dual-hydrogenation on electronic and magnetic properties of armchair silicon carbide nanoribbons

Using the first-principles calculations, we investigate the electronic and magnetic properties of armchair silicon carbide nanoribbon (aSiCNR) with different combinations of edge dual-hydrogenation. The dual-hydrogenation on the boundary Si or C atom changes it from sp2 hybridization to sp3 hybridization, which will have an important role on the stability of aSiCNR. Only the full dual-hydrogenation on the one edge or two edges don't change the band structure and magnetic moment of aSiCNR. However, the other different combinations of edge dual-hydrogenation can result in aSiCNR exhibiting metallic, semiconductor, and half-metallic properties under non-magnetism state, ferromagnetic and anti-ferromagnetic states. These results may present a new avenue for band engineering of aSiCNR, as well as valuable suggestions for the practical application of SiC based nanomaterials in spintronics and multifunctional nanodevices.

Insulating behaviour in room temperature rhombohedral LiNiO2 cathodes is driven by dynamic correlation

Abstract Inspired by the experimental finding of a paramagnetic insulating state in rhombohedral LiNiO2, a lithium-ion battery cathode of great interest, we calculate the electronic, magnetic, and optical properties of LiNiO2 employing a range of single-particle and many-body methods. Within density-functional theory (DFT) using the generalized-gradient approximation (GGA), meta-GGA, and hybrid functionals, we obtain a ferromagnetic half-metallic ground state for rhombohedral LiNiO2, as has been seen previously. Self-consistent GW calculations including self-interaction corrections beyond DFT for various flavours show an electronic band gap albeit with a small quasiparticle peak at the Fermi energy. Moving beyond this, room temperature state-of-the-art dynamical mean-field theory (DMFT) calculations on rhombohedral LiNiO2 show for the first time a gap of combined Mott and charge-transfer character. The paramagnetic insulating state has a band gap of ~0.6 eV, in excellent agreement with experiments and is in sharp contrast to DFT calculations that require the presence of an extra structural symmetry breaking in the form of Jahn–Teller distortions to open a gap. We observe Ni to be in a +2 state in a d 8L configuration, with a charge-transfer ligand hole in O p, and identify the ligand hole state from the DMFT DOS. We further show that whereas DFT shows the presence of an unphysical metallic Drude peak in the optical absorption spectra, DMFT calculations capture the correct form of the optical absorption spectra, and have an excellent match with the calculated band gap as well. Our results clarify that at room temperature, it is the charge transfer gap with a Mott character that causes rhombohedral LiNiO2’s insulating nature; a structural distortion is not required.