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Keywords = magnetic easy axis

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14 pages, 2510 KiB  
Article
DFT Study of Hydrostatic Pressure Effects up to 1.0 GPa on the Electronic and Magnetic Properties of Laves Phases ErAl2 and ErNi2
by Tomás López-Solenzal, José Luis Sánchez Llamazares, José Luis Enríquez-Carrejo and César Fidel Sánchez-Valdés
Metals 2025, 15(6), 680; https://doi.org/10.3390/met15060680 - 19 Jun 2025
Viewed by 332
Abstract
This study employs DFT+U calculations to investigate the ferromagnetic properties of ErAl2 and ErNi2 Laves phases under an external hydrostatic pressure P (0 GPa ≤ P ≤ 1.0 GPa). The calculated magnetic moments per formula unit for both crystalline structures align [...] Read more.
This study employs DFT+U calculations to investigate the ferromagnetic properties of ErAl2 and ErNi2 Laves phases under an external hydrostatic pressure P (0 GPa ≤ P ≤ 1.0 GPa). The calculated magnetic moments per formula unit for both crystalline structures align with experimentally reported values: 4.40 μB/f.u. in the hard magnetization <001> axis for ErAl2 and 5.56 μB/f.u. in the easy magnetization <001> axis for ErNi2. The DFT results indicate that the magnetic moment remains unchanged up to 1 GPa of hydrostatic pressure, with no structural instabilities observed, as evidenced by a nearly constant formation energy for ErAl2 and ErNi2 alloys. The simulations confirm that the magnetic behavior of ErAl2 is primarily driven by the electrons localized in the f orbitals. In contrast, for ErNi2, both d and f orbitals significantly contribute to the total magnetic moment. Finally, the electronic specific heat coefficient was calculated and reported as a function of hydrostatic pressure up to P = 1.0 GPa for each Laves phase. Full article
(This article belongs to the Special Issue Study on the Preparation and Properties of Metal Functional Materials)
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16 pages, 5064 KiB  
Article
Effect of the Electrodeposition Potential on the Chemical Composition, Structure and Magnetic Properties of FeCo and FeNi Nanowires
by Anna Nykiel, Alain Walcarius and Malgorzata Kac
Materials 2025, 18(11), 2629; https://doi.org/10.3390/ma18112629 - 4 Jun 2025
Cited by 1 | Viewed by 491
Abstract
This study focused on investigations of FeCo and FeNi nanowires prepared by template-assisted electrodeposition in polycarbonate membranes. Nanowires with a diameter of 100 nm and length of 6 µm were grown at different cathodic potentials and electrolyte compositions. Scanning electron microscopy images revealed [...] Read more.
This study focused on investigations of FeCo and FeNi nanowires prepared by template-assisted electrodeposition in polycarbonate membranes. Nanowires with a diameter of 100 nm and length of 6 µm were grown at different cathodic potentials and electrolyte compositions. Scanning electron microscopy images revealed densely packed arrays of continuous nanowires with smooth surfaces without visible porosity, regardless of the applied potential. Chemical analysis of nanowires pointed out weak sensitivity of chemical composition on the electrodeposition potential in the case of FeCo nanowires, in contrast to FeNi nanowires, where the increase of the cathodic potential resulted in higher Ni content. X-ray diffraction studies showed polycrystalline structure for all samples indicating B2 phase (Pm-3m) with isotropic growth of FeCo nanowires and FeNi3 phase with a preferential growth along [111] direction in the case of FeNi nanowires. The peak broadening suggests a fine crystalline structure for both FeCo and FeNi materials with average crystallite sizes below 20 nm. Magnetic studies indicated an easy axis of magnetization parallel to the nanowire axis for all FeCo nanowires and potential-dependent anisotropy for FeNi nanowires. The present studies thus suggested the feasibility of producing segmented nanowires based on FeNi alloys, while poor chemical sensitivity to the applied potential was observed for the FeCo system. Full article
(This article belongs to the Section Advanced Nanomaterials and Nanotechnology)
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10 pages, 3169 KiB  
Article
Two-Fold Enhancement of Curie Temperature in Monolayer CrI3 by High Pressure
by Wenxia Su, Dunhui Wang, Dong Wei and Zhenhong Dai
Metals 2025, 15(4), 398; https://doi.org/10.3390/met15040398 - 2 Apr 2025
Viewed by 742
Abstract
In recent years, the discovery of the two-dimensional (2D) intrinsically ferromagnetic monolayer CrI3 has opened up promising avenues for the advancement of spintronic devices. Nevertheless, the relatively low Curie temperature poses a significant challenge for practical applications. Herein, we determine changes in [...] Read more.
In recent years, the discovery of the two-dimensional (2D) intrinsically ferromagnetic monolayer CrI3 has opened up promising avenues for the advancement of spintronic devices. Nevertheless, the relatively low Curie temperature poses a significant challenge for practical applications. Herein, we determine changes in the superexchange interaction of ferromagnetic coupling caused under pressure by using first-principles calculations and Monte Carlo simulations. Based on the superexchange interaction of ferromagnetic coupling, the effect of applying high pressure on the Curie temperature of monolayer CrI3 is investigated. With a pressure coefficient of 2.0%, the Curie temperature is enhanced to 97.3 K, which is nearly double that of the monolayer CrI3 without pressure. In addition, the direction of the easy magnetization axis changes from the out-of-plane to the in-plane one when the pressure coefficient is 1.2%. Meanwhile, the band gap of monolayer CrI3 can be transformed from indirect to direct by applying high pressure. Our work enriches the process of modulating the magnetic and electronic properties of 2D monolayer materials. Full article
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18 pages, 5532 KiB  
Article
Investigation of a Magnetic Sensor Based on the Magnetic Hysteresis Loop and Anisotropic Magnetoresistance of CoFe Thin Films Epitaxial Grown on Flexible Mica and Rigid MgO Substrates with Strain Effect
by Jen-Chieh Cheng, Min-Chang You, Aswin kumar Anbalagan, Guang-Yang Su, Kai-Wei Chuang, Chao-Yao Yang and Chih-Hao Lee
Micromachines 2025, 16(4), 412; https://doi.org/10.3390/mi16040412 - 30 Mar 2025
Cited by 2 | Viewed by 527
Abstract
The anisotropic magnetoresistance (AMR) effect is widely used in microscale and nanoscale magnetic sensors. In this study, we investigate the correlation between AMR and the crystal structure, epitaxial relationship, and magnetic properties of Co50Fe50 thin films deposited on rigid MgO [...] Read more.
The anisotropic magnetoresistance (AMR) effect is widely used in microscale and nanoscale magnetic sensors. In this study, we investigate the correlation between AMR and the crystal structure, epitaxial relationship, and magnetic properties of Co50Fe50 thin films deposited on rigid MgO and flexible mica substrates. The AMR ratio is approximately 1.6% for CoFe films on mica, lower than the 2.5% observed in epitaxially grown films on MgO substrates. The difference is likely due to the well-defined easy axis in the single domain epitaxial thin films on MgO, which enhances the AMR ratio. Microscopic strain induced by lattice mismatch and bending on flexible substrates were determined using grazing incidence X-ray diffraction and extended X-ray absorption fine structure techniques. These results showed that neither microscopic nor macroscopic strain (below 0.5%) affects the AMR ratio on mica, suggesting its suitability for magnetic sensors in flexible and wearable devices. Additionally, investigating M-H loops under various growth temperatures, lattice mismatch conditions, and bending strains could further benefit the fabrication and integration of the micro-scale magnetic sensors in the microelectronic industry. Full article
(This article belongs to the Special Issue Feature Papers of Micromachines in 'Materials and Processing' 2024)
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16 pages, 1923 KiB  
Article
A High-Sensitivity, Low-Noise, and Low-Hysteresis Tunneling Magnetoresistance Sensor Based on Structural Optimization of Magnetic Tunnel Junctions
by Ran Bi, Ruiying Chen, Shilin Wu, Haoyu Ma, Huiquan Zhang, Xinting Liu, Jinliang He and Jun Hu
Sensors 2025, 25(6), 1730; https://doi.org/10.3390/s25061730 - 11 Mar 2025
Cited by 2 | Viewed by 1024
Abstract
Accurate measurement of magnetic fields holds immense significance across various disciplines, such as IC circuit measurement, geological exploration, and aerospace. The sensitivity and noise parameters of magnetic field sensors play a vital role in detecting minute fluctuations in magnetic fields. However, the current [...] Read more.
Accurate measurement of magnetic fields holds immense significance across various disciplines, such as IC circuit measurement, geological exploration, and aerospace. The sensitivity and noise parameters of magnetic field sensors play a vital role in detecting minute fluctuations in magnetic fields. However, the current detection capability of tunneling magnetoresistance (TMR) is insufficient to meet the requirements for weak magnetic field measurement. This study investigates the impact of structural and fabrication parameters on the performance of TMR sensors. We fabricated series-connected TMR sensors with varying long-axis lengths of the elliptical cross-section and adjusted their performance by modifying annealing magnetic fields and magnetic field bias along the easy axis. The results demonstrate that TMR sensitivity decreases with increasing long-axis length, increases initially and then decreases with an annealing magnetic field, and decreases with a higher bias magnetic field along the easy axis. The voltage noise level of TMR sensors decreases as the long-axis length increases. Notably, the detection capability of TMR sensors exhibits a non-monotonic dependence on long-axis length. Moreover, we optimized the hysteresis of TMR sensors by applying a magnetic field bias along the easy axis. When the bias along the easy axis reached 16 Oe or −40 Oe, the hysteresis level was reduced to below 0.5 Oe. After encapsulating the TMR devices into a full Wheatstone bridge structure, we achieved a detection capability of 17 nT/Hz@1Hz. This study highlights that the detection capability of TMR devices is jointly influenced by fabrication parameters. By optimizing parameter configuration, this work provides theoretical guidance for further enhancing the performance of TMR devices in magnetic field measurements. Full article
(This article belongs to the Section Physical Sensors)
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26 pages, 5161 KiB  
Review
A Survey of the Magnetic Anisotropy Detection Technology of Ferromagnetic Materials Based on Magnetic Barkhausen Noise
by Liting Wang, Changjie Xu, Libo Feng and Wenjie Wang
Sensors 2024, 24(23), 7587; https://doi.org/10.3390/s24237587 - 27 Nov 2024
Cited by 3 | Viewed by 1333
Abstract
Magnetic Barkhausen noise (MBN) is one of the most effective methods for determining the easy axis of ferromagnetic materials and for evaluating texture and residual stress in a nondestructive manner. MBN signals from multiple angles and different magnetization sections can be used to [...] Read more.
Magnetic Barkhausen noise (MBN) is one of the most effective methods for determining the easy axis of ferromagnetic materials and for evaluating texture and residual stress in a nondestructive manner. MBN signals from multiple angles and different magnetization sections can be used to characterize magnetic anisotropy caused by various magnetization mechanisms. This paper reviews the development and application of magnetic anisotropy detection technology, and the MBN anisotropy models that take into account domain wall motion and magnetic domain rotation are analyzed thoroughly. Subsequently, the MBN anisotropy detection devices and detection methods are discussed, and the application of magnetic anisotropy detection technology in stress measurement and texture evaluation is reviewed. From the perspective of improving detection accuracy, the influence of composite mechanisms on magnetic anisotropy is analyzed. Finally, the opportunities and challenges faced by current magnetic anisotropy detection technology are summarized. The relevant conclusions obtained in this paper can be used to guide the MBN evaluation of magnetic anisotropy in ferromagnetic materials. Full article
(This article belongs to the Section Physical Sensors)
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22 pages, 6102 KiB  
Article
Thin Films of BaM Hexaferrite with an Inclined Orientation of the Easy Magnetization Axis: Crystal Structure and Magnetic Properties
by Boris Krichevtsov, Alexander Korovin, Vladimir Fedorov, Sergey Suturin, Aleksandr A. Levin, Andrey Telegin, Elena Balashova and Nikolai Sokolov
Nanomaterials 2024, 14(23), 1883; https://doi.org/10.3390/nano14231883 - 23 Nov 2024
Viewed by 1138
Abstract
Thin (~50 nm thick) BaM hexaferrite (BaFe12O19) films were grown on (1–102) and (0001) cut α-Al2O3 (sapphire) substrates via laser molecular beam epitaxy using a one- or two-stage growth protocol. The advantages of a two-stage protocol [...] Read more.
Thin (~50 nm thick) BaM hexaferrite (BaFe12O19) films were grown on (1–102) and (0001) cut α-Al2O3 (sapphire) substrates via laser molecular beam epitaxy using a one- or two-stage growth protocol. The advantages of a two-stage protocol are shown. The surface morphology, structural and magnetic properties of films were studied using atomic force microscopy, reflected high-energy electron diffraction, three-dimensional X-ray diffraction reciprocal space mapping, powder X-ray diffraction, magneto-optical, and magnetometric methods. Annealed BaFe12O19/Al2O3 (1–102) structures consist of close-packed islands epitaxially bonded to the substrate. The hexagonal crystallographic axis and the easy axis (EA) of the magnetization of the films are deflected from the normal to the film by an angle of φ~60°. The films exhibit magnetic hysteresis loops for both in-plane Hin-plane and out-of-plane Hout-of-plane magnetic fields. The shape of Mout-of-plane(Hin-plane) and Min-plane(Hin-plane) hysteresis loops strongly depends on the azimuth θ of the Hin plane, confirming the tilted orientation of the EA. The Mout-of-plane(Hout-of-plane) magnetization curves are caused by the reversible rotation of magnetization and irreversible magnetization jumps associated with the appearance and motion of domain walls. In the absence of a magnetic field, the magnetization is oriented at an angle close to φ. Full article
(This article belongs to the Special Issue Magnetization and Magnetic Disorder at the Nanoscale)
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15 pages, 1425 KiB  
Article
Stability of Noncentrosymmetric Square Skyrmion Crystals with Easy-Axis and Easy-Plane Magnetic Anisotropy
by Satoru Hayami
Magnetism 2024, 4(4), 368-382; https://doi.org/10.3390/magnetism4040024 - 2 Nov 2024
Viewed by 2388
Abstract
We investigate the stability tendency of a magnetic skyrmion crystal in noncentrosymmetric tetragonal systems with the Dzyaloshinskii–Moriya interaction. We show that the stability region of the square skyrmion crystal on a square lattice depends on the Ising-type magnetic anisotropic interaction by performing the [...] Read more.
We investigate the stability tendency of a magnetic skyrmion crystal in noncentrosymmetric tetragonal systems with the Dzyaloshinskii–Moriya interaction. We show that the stability region of the square skyrmion crystal on a square lattice depends on the Ising-type magnetic anisotropic interaction by performing the simulated annealing for the spin model. The easy-axis anisotropic interaction tends to narrow the region where the square skyrmion crystal is stabilized when the magnetic field is applied in the out-of-plane direction. In contrast, the easy-plane anisotropic interaction tends to enlarge the stability region. Meanwhile, the square skyrmion crystal induced by the easy-axis anisotropic interaction is robust compared with that induced by the easy-plane anisotropic interaction when the magnetic field is tilted from the out-of-plane to the in-plane direction. The results indicate that the instability toward the square skyrmion crystal in noncentrosymmetric crystals is sensitive to both magnetic anisotropy and magnetic fields. Full article
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14 pages, 5309 KiB  
Article
Effect of Thermal Processing on the Structural and Magnetic Properties of Epitaxial Co2FeGe Films
by Andrii Vovk, Dariia Popadiuk, Bogdan Postolnyi, Sergey Bunyaev, Pavel Štrichovanec, José Ángel Pardo, Pedro Antonio Algarabel, Olga Salyuk, Vladislav Korenivski, Gleb N. Kakazei, Vladimir O. Golub and João Pedro Araujo
Nanomaterials 2024, 14(21), 1745; https://doi.org/10.3390/nano14211745 - 30 Oct 2024
Cited by 1 | Viewed by 1255
Abstract
The structure and magnetic properties of epitaxial Heusler alloy films (Co2FeGe) deposited on MgO (100) substrates were investigated. Films of 60 nm thickness were prepared by magnetron co-sputtering at different substrate temperatures (TS), and those deposited at room temperature [...] Read more.
The structure and magnetic properties of epitaxial Heusler alloy films (Co2FeGe) deposited on MgO (100) substrates were investigated. Films of 60 nm thickness were prepared by magnetron co-sputtering at different substrate temperatures (TS), and those deposited at room temperature were later annealed at various temperatures (Ta). X-ray diffraction confirmed (001) [110] Co2FeGe || (001) [100] MgO epitaxial growth. A slight tetragonal distortion of the film cubic structure was found in all samples due to the tensile stress induced by the mismatch of the lattice parameters between Co2FeGe and the substrate. Improved quality of epitaxy and the formation of an atomically ordered L21 structure were observed for films processed at elevated temperatures. The values of magnetization increased with increasing TS and Ta. Ferromagnetic resonance (FMR) studies revealed 45° in-plane rotation of the easy anisotropy axis direction depending on the degree of the tetragonal distortion. The film annealed at Ta = 573 K possesses the minimal FMR linewidth and magnetic damping, while both these parameters increase for another TS and Ta. Overall, this study underscores the crucial role of thermal treatment in optimizing the magnetic properties of Co2FeGe films for potential spintronic and magnonic applications. Full article
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14 pages, 1486 KiB  
Article
Analysis of Magnetization Dynamics in NiFe Thin Films with Growth-Induced Magnetic Anisotropies
by Leah Merryweather and Aidan T. Hindmarch
Magnetochemistry 2024, 10(10), 80; https://doi.org/10.3390/magnetochemistry10100080 - 21 Oct 2024
Viewed by 1608
Abstract
We have used angled magnetron sputter deposition with and without sample rotation to control the magnetic anisotropy in 20 nm NiFe films. Ferromagnetic resonance spectroscopy, with data analysis using a Bayesian approach, is used to extract material parameters relating to the magnetic anisotropy. [...] Read more.
We have used angled magnetron sputter deposition with and without sample rotation to control the magnetic anisotropy in 20 nm NiFe films. Ferromagnetic resonance spectroscopy, with data analysis using a Bayesian approach, is used to extract material parameters relating to the magnetic anisotropy. When the sample is rotated during growth, only shape anisotropy is present, but when the sample is held fixed, a strong uniaxial anisotropy emerges with in-plane easy axis along the azimuthal direction of the incident atom flux. When the film is deposited in two steps, with an in-plane rotation of 90 degrees between steps, the two orthogonal induced in-plane easy-axes effectively cancel. The analysis approach enables precise and accurate determination of material parameters from ferromagnetic resonance measurements; this demonstrates the ability to precisely control both the direction and strength of uniaxial magnetic anisotropy, which is important in magnetic thin-film device applications. Full article
(This article belongs to the Special Issue Fabrication, Characterization and Application of Magnetic Thin Films)
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13 pages, 3517 KiB  
Article
Tailoring the Spin Reorientation Transition of Co Films by Pd Monolayer Capping
by Benito Santos Burgos, Raúl López-Martín, José A. De Toro, Chris Binns, Andreas K. Schmid and Juan de la Figuera
Nanomaterials 2024, 14(20), 1662; https://doi.org/10.3390/nano14201662 - 16 Oct 2024
Viewed by 1146
Abstract
We have characterized the magnetization easy-axis of ultra-thin Co films (2–5 atomic layers, AL) grown on Ru(0001) when they are capped with a monolayer of Pd. The addition of a Pd monolayer turns the magnetization of 3 and 4 AL-thick Co films from [...] Read more.
We have characterized the magnetization easy-axis of ultra-thin Co films (2–5 atomic layers, AL) grown on Ru(0001) when they are capped with a monolayer of Pd. The addition of a Pd monolayer turns the magnetization of 3 and 4 AL-thick Co films from an in-plane to an out-of-plane alignment, but not that of a 5 AL-thick film. These observations are explained in terms of an enhancement of the surface anisotropy. The exposure of the sample to hydrogen, CO or a combination of both gases does not overcome this effect. Full article
(This article belongs to the Section Synthesis, Interfaces and Nanostructures)
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11 pages, 816 KiB  
Article
Double-Q Checkerboard Bubble Crystal in Centrosymmetric Tetragonal Magnets
by Satoru Hayami
Condens. Matter 2024, 9(4), 40; https://doi.org/10.3390/condmat9040040 - 16 Oct 2024
Viewed by 1455
Abstract
We report our numerical studies on the emergence of a double-Q checkerboard bubble crystal in centrosymmetric tetragonal magnets. The double-Q checkerboard bubble crystal is characterized by a fourfold-symmetric collinear spin configuration consisting of a superposition of two sinusoidal waves with the [...] Read more.
We report our numerical studies on the emergence of a double-Q checkerboard bubble crystal in centrosymmetric tetragonal magnets. The double-Q checkerboard bubble crystal is characterized by a fourfold-symmetric collinear spin configuration consisting of a superposition of two sinusoidal waves with the out-of-plane spin modulations along the [110] and [1¯10] directions. The numerical calculations based on the simulated annealing for an effective spin model with the momentum-resolved easy-axis exchange interactions reveal that the double-Q checkerboard bubble crystal is energetically degenerate with the single-Q collinear state when the ordering wave vector lies on the quarter of the reciprocal lattice vector along the 110 direction. We show that such a degeneracy is lifted by considering the biquadratic interaction. We also find that the double-Q checkerboard bubble crystal turns into another double-Q state characterized by the in-plane spin modulations by increasing an external magnetic field. Full article
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10 pages, 11335 KiB  
Article
Enhanced DC and AC Soft Magnetic Properties of Fe-Co-Ni-Al-Si High-Entropy Alloys via Texture and Iron Segregation
by Xiaohua Tan, Junyi Li, Shiqi Zhang and Hui Xu
Metals 2024, 14(10), 1113; https://doi.org/10.3390/met14101113 - 29 Sep 2024
Cited by 2 | Viewed by 1437
Abstract
The microstructure and soft magnetic properties under direct current (DC) mode and alternating current (AC) mode of FeCoNiAl1−xSix (x = 0.2, 0.4, 0.6) high-entropy alloys (HEAs) are investigated. All the studied HEAs show body-centered cubic (BCC) structures, and the [100] [...] Read more.
The microstructure and soft magnetic properties under direct current (DC) mode and alternating current (AC) mode of FeCoNiAl1−xSix (x = 0.2, 0.4, 0.6) high-entropy alloys (HEAs) are investigated. All the studied HEAs show body-centered cubic (BCC) structures, and the [100] texture is formed in the x = 0.4 HEA. The iron (Fe) segregation at the grain boundaries is helpful in increasing the soft magnetic properties under DC. The FeCoNiAl0.6Si0.4 (x = 0.4) HEA exhibits optimal DC and AC soft magnetic properties, primarily due to the formation of the texture along the easy magnetization axis. The x = 0.4 HEA shows the highest permeability (μi = 344 and μm = 1334) and the smallest coercivity (Hc = 51 A/m), remanence (Br = 132 mT), and hysteresis loss (Pu = 205 J/m3). In comparison to the x = 0.2 HEA and x = 0.6 HEA, the total loss (AC Ps) at 50 Hz of the x = 0.4 HEA is decreased by 15% and 18%, and it is reduced at 950 Hz by 13% and 7%. Our findings can provide a useful approach for developing novel HEAs with increased soft magnetic properties by tuning ferromagnetic elemental segregation and forming the texture along the easy magnetization axis. Full article
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12 pages, 2833 KiB  
Article
Strain-Controlled Electronic and Magnetic Properties of Janus Nitride MXene Monolayer MnCrNO2
by Wentao Yue, Jun Shan, Runxian Jiao, Lichuan Zhang, Yuanping Chen and Dong Hao
Appl. Sci. 2024, 14(18), 8427; https://doi.org/10.3390/app14188427 - 19 Sep 2024
Cited by 2 | Viewed by 1458
Abstract
Two-dimensional (2D) van der Waals (vdW) magnetic materials show potential for the advancement of high-density, energy-efficient electronic and spintronic applications in future memory and computation. Here, by using first-principles density functional theory (DFT) calculations, we predict a new 2D Janus nitride MXene MnCrNO [...] Read more.
Two-dimensional (2D) van der Waals (vdW) magnetic materials show potential for the advancement of high-density, energy-efficient electronic and spintronic applications in future memory and computation. Here, by using first-principles density functional theory (DFT) calculations, we predict a new 2D Janus nitride MXene MnCrNO2 monolayer. Our results suggest that the optimized MnCrNO2 monolayer possesses a hexagonal structure and exhibits good dynamical stability. The intrinsic monolayer MnCrNO2 exhibits semiconductive properties and adopts a ferromagnetic ground state with an out-of-plane easy axis. It can sustain strain effects within a wide range of strains from −10% to +8%, as indicated by the phonon dispersion spectra. Under the biaxial tensile strain, a remarkable decrease in the bandgap of the MnCrNO2 is induced, which is attributed to the distinct roles played by Mn and Cr in the VBM or CBM bands. Furthermore, when the compressive strain reaches approximately −8%, the magnetic anisotropy undergoes a transition from an out-of-plane easy axis to an in-plane easy axis. This change is mainly influenced by the efficient hybridization of the d orbitals, particularly in Mn atoms. Our study of the Janus MXene MnCrNO2 monolayer indicates its potential as a promising candidate for innovative electronic and spintronic devices; this potential is expected to create interest in its synthesis. Full article
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11 pages, 2872 KiB  
Article
First-Principles Study of Ti-Doping Effects on Hard Magnetic Properties of RFe11Ti Magnets
by Chengyuan Xu, Lin Wen, Anjian Pan, Lizhong Zhao, Yuansen Liu, Xuefeng Liao, Yu Pan and Xuefeng Zhang
Crystals 2024, 14(6), 507; https://doi.org/10.3390/cryst14060507 - 27 May 2024
Cited by 2 | Viewed by 1296
Abstract
Due to the rare earth supply shortage, ThMn12-type RFe12-based (R is the rare earth element) magnets with lean rare earth content are gaining more concern. Most ThMn12-type RFe12 structures are thermodynamically metastable and require doping of [...] Read more.
Due to the rare earth supply shortage, ThMn12-type RFe12-based (R is the rare earth element) magnets with lean rare earth content are gaining more concern. Most ThMn12-type RFe12 structures are thermodynamically metastable and require doping of the stabilizing element Ti. However, the Ti-doping effects on the hard magnetic properties of RFe11Ti have not been thoroughly investigated. Herein, based on density functional theory calculations, we report the Ti-doping effects on the phase stability, intrinsic hard magnetic properties and electronic structures of RFe11Ti (R = La, Ce, Pr, Nd, Sm, Y, Zr). Our results indicate that Ti-doping not only increases their phase stability, but also enhances the magnetic hardness of ground-state RFe12 phases. Particularly, it leads to the transition of CeFe11Ti and PrFe11Ti from easy-plane to easy-axis anisotropy. Charge density distributions demonstrate that Ti-doping breaks the original symmetry of the R-site crystal field, which alters the magnetic anisotropy of RFe11Ti. Projected densities of states reveal that the addition of Ti results in the shift of occupied and unoccupied f-electron energy levels of rare earth elements, affecting their magnetic exchange. This study provides an insight into regulating the hard magnetic properties of RFe12-based magnets by Ti-doping. Full article
(This article belongs to the Special Issue The Synthesis and Prospects of Magnetic Materials)
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