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Exploring the spin transport characteristics of magnetic tunnel junctions based on half-metallic Heusler holds significance, not only in unraveling the fundamental physics at play but also in advancing applications of spintronic devices. Here, density functional theory in conjunction with non-equilibrium Green's functions has been systematically employed to investigate two prominent Heusler alloys, Co2CrAl and CoFeCrAl, which are of direct interest to the candidates of magnetic tunnel junction. The electronic structures of two Hesler alloys reveal that both exhibit characteristics of half-metallic ferromagnets, featuring a substantial spin-down bandgap and achieving 100% spin polarization. The tunneling magnetoresistance ratios obtained for Co2CrAl/AlP/Co2CrAl and CoFeCrAl/AlP/CoFeCrAl magnetic tunnel junctions are determined to be 173% and 59%, respectively, with the former exhibiting superior device characteristics. Therefore, the Co2CrAl/AlP-based magnetic tunnel junction demonstrates ideal performance, providing new opportunities for two-dimensional spintronics. [ABSTRACT FROM AUTHOR]

Randomly mixing ferromagnetic (FM) and antiferromagnetic (AFM) elements in high-entropy alloys (HEAs) can create fluctuating local magnetic moments that influence the energetics of point defects. In this study, we employed first-principles calculations to investigate the influence of magnetic properties on vacancy migration energy in Fe49.5Mn29.4Co10.1Cr10.1C0.9, alongside equiatomic NiCoFeCrMn alloy. By examining structures with paramagnetism, ferromagnetism, and no spin polarization, our study reveals significant impacts of magnetic interactions on vacancy migration barriers, potentially altering the sequence of elemental migration energies if overlooked. In Fe49.5Mn29.4Co10.1Cr10.1C0.9, the order of vacancy migration barriers is Co > Fe > Mn > Cr across all magnetic states, suggesting the dominant roles of atomic properties and inherent chemical bonding. Conversely, the NiCoFeCrMn HEA exhibits a pronounced magnetic state-dependent elemental migration energy order, indicating that magnetic interactions significantly influence vacancy migration behavior in this alloy. In addition, while FM elements generally exhibit higher migration barriers, AFM elements display lower barriers in the investigated Cantor alloys, with notable variations between the studied compositions. These findings underscore the critical role of magnetism in accurate migration energy calculations, which is important for studying chemically biased diffusion and radiation-induced segregation in HEAs. [ABSTRACT FROM AUTHOR]

In the atomic cell of the spin exchange optical pumping system, the optical pumping inevitably introduces a magnetic field gradient, which affects the measurement result of the nuclear spin relaxation time a lot. To address this issue, our method achieves the measurement while excluding the influence of this magnetic field gradient. In this method, the pump laser is turned off after the spins of 87Rb and 129Xe have been effectively polarized, which results in the spin polarization of the 87Rb atoms being provided only by the spin exchange with 129Xe. Ultimately, the transverse and longitudinal components of the polarization of 129Xe are detected by the in situ87Rb atom magnetometer to obtain the T1 and T2 of 129Xe under different conditions. Using our method, since the influence of inhomogeneity caused by the pump laser is eliminated, the relaxation characteristic of atomic cells can be measured more quickly, essentially, and conveniently, which helps compare the performance of different atomic cells and find the best cell fabrication process further. [ABSTRACT FROM AUTHOR]

The Fe3GeTe2 monolayer, a ferromagnetic topological candidate with a high Curie temperature of 130 K, has recently garnered considerable interest. We investigated the impact of strain on the electronic, magnetic, and topological properties of the Fe3GeTe2 monolayer using density functional theory calculations. Our results showed that the Fe3GeTe2 monolayer was an itinerant ferromagnet with a high spin polarization of 69.93% and out-of-plane easy magnetization. Tensile strain had no profound impact on the anomalous Hall conductivity (AHC). However, when applying a compressive biaxial strain of −3%, the AHC at the Fermi level was dramatically enhanced to 1.62 e2/h, which is much larger than that of the bulk (0.7 e2/h) and bilayer (1.5 e2/h) material. The large AHC nearly coincided with the singularity of the energy bands near the M point. Our results highlight the potential of using strain engineering to control and optimize the properties of two-dimensional topological materials. [ABSTRACT FROM AUTHOR]

We have carried out joint theoretical and experimental investigations of three Heusler compounds CoMoFeAl, CoMo0.5Fe1.5Al, and Co1.5Mo0.5FeAl. Our first-principle calculations show that all three compounds show either ferro- or ferrimagnetic order with CoMoFeAl and CoMo0.5Fe1.5Al exhibiting high spin polarization of almost 80%. The investigated samples were prepared using arc melting and high vacuum annealing. All the samples show cubic crystal structure with disorder. The parent compound CoMoFeAl shows a small saturation magnetization of 12 emu/g, and a Curie temperature of 440 K. The other two compounds, namely, Co1.5Mo0.5FeAl and CoMo0.5Fe1.5Al, show much higher saturation magnetizations of 62 emu/g and 59 emu/g, and substantially higher Curie temperatures of 950 K and 780 K, respectively. [ABSTRACT FROM AUTHOR]

We have studied spin-orbit torque (SOT) magnetization switching in a (Ga,Mn)(As,P) film with vertically-graded magnetic anisotropy. The magnetization switching chirality during current scans reveals that strain-induced Dresselhaus-type spin-orbit field does the major role for spin polarization of carriers causing SOT in the system. The volume fraction of SOT magnetization switching significantly depends on the magnitude and direction of the applied bias field. This feature leads to the realization of stable multilevel magnetic states in composition-graded (Ga,Mn)(As,P) film. The experiment demonstrates that multiple magnetic state can be robustly set by using appropriate bias fields. This characteristic can be used to realize SOT-driven multi-state memories and/or memristor devices, which are key ingredients for neuromorphic computing. [ABSTRACT FROM AUTHOR]

We have carried out a combined theoretical and experimental investigation of both stoichiometric and nonstoichiometric CoFeVGe alloys. In particular, we have investigated CoFeVGe, Co1.25Fe0.75VGe, Co0.75Fe1.25VGe, and CoFe0.75VGe bulk alloys. Our first principles calculations suggest that all four alloys show ferromagnetic order, where CoFeVGe, Co1.25Fe0.75VGe, and Co0.75Fe1.25VGe are highly spin polarized with spin polarization values of over 80%. However, the spin polarization value of CoFe0.75VGe is only about 60%. We have synthesized all four samples using arc melting and high-vacuum annealing at 600 °C for 48 hours. The room temperature x-ray diffraction of these samples exhibits a cubic crystal structure with disorder. All the samples show single magnetic transitions at their Curie temperatures, where the Curie temperature and high field (3T) magnetization are 288 K and 42 emu/g; 305 K and 1.5 emu/g; 238 K and 39 emu/g; and 306 K and 35 emu/g for CoFeVGe, Co1.25Fe0.75VGe, Co0.75Fe1.25VGe, and CoFe0.75VGe, respectively. [ABSTRACT FROM AUTHOR]

Half-metallic ferromagnets with the character of making maximum use of spin polarization become the center of scientific research. Specifically, two-dimensional (2D) ferromagnetic materials, due to their 100% spin polarization at the Fermi level, are highly desirable for spintronic devices. Using first-principles calculations, we demonstrated that the NiSCl and NiSeCl monolayers are intrinsic 2D ferromagnetic half-metals. The predicted Curie temperatures of the NiSCl and NiSeCl monolayers are 311 and 180 K by Monte Carlo simulations, respectively. The calculated electronic structures using the Heyd–Scuseria–Ernzerhof hybrid functional showed that their half-metallic bandgaps are 1.06 and 0.53 eV, and 3.40 and 2.68 eV for NiSCl and NiSeCl monolayers, respectively. These results indicated that 2D NiSCl and NiSeCl are promising half-metallic materials. [ABSTRACT FROM AUTHOR]

Half-metallic Heusler alloys have attracted significant attention due to their potential application in spin-transport-based devices. We have synthesized one such alloy, CoFeV0.5Mn0.5Si, using arc melting and high-vacuum annealing at 600 °C for 24 hours. First principles calculation indicates that CoFeV0.5Mn0.5Si shows a nearly half-metallic band structure with a degree of spin polarization of about 93%. In addition, this value can be enhanced by the application of tensile strain. The room temperature x-ray diffraction patterns are indexed with the cubic crystal structure without secondary phases. The annealed sample shows ferromagnetic order with the Curie temperature well above room temperature (Tc = 657 K) and a saturation magnetization of about 92 emu/g. Our results indicate that CoFeV0.5Mn0.5Si has a potential for room temperature spin-transport-based devices. [ABSTRACT FROM AUTHOR]

Spin polarization and the Gilbert damping, as the two key parameters of the magnetic materials for spintronic applications, were suggested to be inversely proportional to each other in a series of Heusler alloys. Recently, large anisotropic Gilbert damping was found in Co2FeAl thin films, implying that spin polarization may be also anisotropic. Here, we report an isotropic spin polarization with a constant value of 60% in a 20-nm Co2FeAl thin film with a B2 structure, using spin- and angle-resolved photoemission spectroscopy and time-resolved magneto-optical Kerr effect. Furthermore, this result was also supported by the ab initio calculations that the difference of the spin polarization between all the orientations is less than 1% for the Co2FeAl thin film. This finding provides profound insight into the spin polarization in Co2FeAl alloys. [ABSTRACT FROM AUTHOR]

Two-dimensional intrinsic magnetic materials with high Curie temperature (Tc) coexisting with 100% spin polarization are highly desirable for realizing promising spintronic devices. In the present work, the intrinsic magnetism of monolayer square CrBr2 is predicted by using first-principles calculations. The monolayer CrBr2 is an intrinsic ferromagnetic half-metal with the half-metallic gap of 1.58 eV. Monte Carlo simulations based on the Heisenberg model estimate Tc as 212 K. Furthermore, the large compressive strain makes CrBr2 undergo ferromagnetic–antiferromagnetic phase transition when the biaxial tensile strain larger than 9.3% leads to the emergence of semiconducting electronic structures. Our results show that the intrinsic half-metal with a high Tc and controllable magnetic properties endow monolayer square CrBr2 as a potential material for spintronic applications. [ABSTRACT FROM AUTHOR]

Two-dimensional intrinsic magnetic materials with high Curie temperature (Tc) coexisting with 100% spin polarization are highly desirable for realizing promising spintronic devices. In the present work, the intrinsic magnetism of monolayer square CrBr2 is predicted by using first-principles calculations. The monolayer CrBr2 is an intrinsic ferromagnetic half-metal with the half-metallic gap of 1.58 eV. Monte Carlo simulations based on the Heisenberg model estimate Tc as 212 K. Furthermore, the large compressive strain makes CrBr2 undergo ferromagnetic–antiferromagnetic phase transition when the biaxial tensile strain larger than 9.3% leads to the emergence of semiconducting electronic structures. Our results show that the intrinsic half-metal with a high Tc and controllable magnetic properties endow monolayer square CrBr2 as a potential material for spintronic applications. [ABSTRACT FROM AUTHOR]

Parameters of the energy gap and, consequently, electronic, magnetic and galvanomagnetic properties in different X2YZ Heusler alloys can vary quite strongly. In particular, half-metallic ferromagnets (HMFs) and spin gapless semiconductors (SGSs) with almost 100% spin polarization of charge carriers are promising materials for spintronics. The changes in the electrical, magnetic and galvanomagnetic properties of the Co2YSi (Y = Ti, V, Cr, Mn, Fe) and Co2MnZ Heusler alloys (Z = Al, Si, Ga, Ge) in possible HMF- and/or SGS-states were followed and their interconnection was established. Significant changes in the values of the magnetization and residual resistivity were found. At the same time, the correlations between the changes in these electronic and magnetic characteristics depending on the number of valence electrons and spin polarization are observed. [ABSTRACT FROM AUTHOR]

We report the effect of varying the Y element on the structural, electronic and magnetic properties of Co2YIn (Y = V, Nb, Ti) Heusler compounds using Density Functional Theory (DFT). The effect of the lattice parameter and total number of valence electrons on spin polarization and the magnetic properties of these Heusler compounds is compared. Co2VIn and Co2NbIn have the same number of valence electrons as Nb and V are from the same group in the periodic table. Co2VIn has almost the same lattice constant as Co2TiIn but they differ in the total number of valence electrons by one, as Ti and V are next neighbors in the same period of the periodic table. The optimized lattice parameters for Co2NbIn and Co2TiIn are found to be 6.20 Å and 6.05 Å respectively, while that of Co2VIn has been reported to be 6.00 Å. Co2NbIn is half metallic with an energy band gap of 0.1 eV in the minority states and has total magnetic moments of 2.02 µB/f.u. very close to the 2.00 µB/f.u. predicted by the Slater-Pauling rule, while Co2TiIn is not half metallic but has a highly spin polarized electronic structure having a spin polarization of 89.59% and total magnetic moments of 1.04µB/f.u. While reducing the number of the valence electrons by one in Co2TiIn has a significant effect on the magnetic moments and spin polarization, an increase in the lattice parameter while maintaining the same number of valence electrons in Co2NbIn does not result in the destruction of the half metallic gap. [ABSTRACT FROM AUTHOR]

First principles electronic structural calculation of full Heusler alloys Ir2YSi (Y= Sc to Ni) in the L21 (Cu2MnAl) and Xa (Hg2CuTi) structures have been studied using full-potential linearized augmented plane wave method (FP-LAPW) based on density functional theory (DFT). From the total energy calculations, it has been observed that all these alloys are stable in L21 structure than Xa structure and also it is found that the alloys Ir2YSi (Y =V to Co) are ferromagnetically stable whereas the Ir2YSi (Y = Sc, Ti, and Ni) alloys are non-magnetic in their stable L21 structure. Spin polarized band structure calculations reveal that in Ir2YSi (Y= V to Co) alloys there is spin splitting of energy states around the Fermi level (EF) indicating ferromagnetism and moreover in Ir2YSi (Y = V, Cr, and Mn) alloys majority electrons have metallic behavior while minority electrons have semiconducting nature exhibiting half metallic ferromagnetic (HMF) nature. HMF property in Ir2YSi (Y = V, Cr, and Mn) alloys have been further confirmed from the integer total magnetic moment value of 3.0 µB, 4.0 µB and 5.0 µB per formula unit respectively. Spin polarization mainly arises from the interaction between 3d electrons of V/Cr/Mn atom and 5d electrons of Ir atom. This strong d-d hybridization between the transition atoms like Ir and V/Cr/Mn composing Heusler alloys is essential for the formation of gap at the EF between the valence and conduction bands. Our results show that Ir2YSi (Y= V, Cr, and Mn) will be suitable for ferromagnetic and spintronics applications. [ABSTRACT FROM AUTHOR]

Magnetic topological semimetals offer higher mobility due to massless fermion, promising applications in spintronics, anomalous Hall effect at significantly higher temperature, and applications in topological Weyl superconductivity. However, the number of known magnetic topological semimetals is quite limited to explore different applications experimentally. In this paper, a total of 257 magnetic topological semimetals are identified from two materials databases. Using the information about topological semimetals and their magnetic properties, magnetic topological semimetals are identified considering the spin polarization of the unit cell at the Fermi level, magnetization per atom, and magnetization per cell. Besides classifying, a machine learning model is also used by utilizing a large number of material properties to identify some more magnetic topological semimetals. A large number of magnetic topological semimetals will help experimentalists to explore different interesting phenomena of this emerging frontier at room temperature. [ABSTRACT FROM AUTHOR]

The effect of thermal annealing on spin accumulation signals in silicon (Si)-based lateral spin devices is investigated. The annealing is carried out after fabrication of the spin devices, which allows us to directly compare the spin-related phenomena before and after annealing. The magnitude of non-local four-terminal signals (ΔVnl) at room temperature is increased more than two-fold after annealing at 300 °C for 1 h. The channel length dependence of ΔVnl and the Hanle signals reveal that the spin polarization of the ferromagnetic contact is increased by the annealing. In contrast, the spin diffusion length and spin lifetime in the Si channel do not change. [ABSTRACT FROM AUTHOR]

Spin transport was studied in a two-dimensional electron gas hosted in a wide GaAs quantum well occupying two subbands. Using space and time Kerr rotation microscopy to image drifting spin packets under an in-plane accelerating electric field, optical injection and detection of spin polarization were achieved in a pump–probe configuration. The experimental data exhibited high spin mobility and long spin lifetimes allowing us to obtain the spin–orbit fields as a function of the spin velocities. Surprisingly, above moderate electric fields of 0.4 V/cm with velocities higher than 2 µm/ns, we observed a dependence of both bulk and structure-related spin–orbit interactions on the velocity magnitude. A remarkable feature is the increase in the cubic Dresselhaus term to approximately half of the linear coupling when the velocity is raised to 10 µm/ns. In contrast, the Rashba coupling for both subbands decreases to about half of its value in the same range. These results yield new information on the application of drift models in spin–orbit fields and about limitations for the operation of spin transistors. [ABSTRACT FROM AUTHOR]

In this paper, we experimentally study the saturation effect of rubidium atomic magnetic resonance. A pump beam is applied to create atomic spin polarization, a radio frequency (RF) magnetic field is used to drive the spin precession about a static magnetic field, and an off-resonant linearly polarized probe beam is applied to detect the spin dynamics based on the Faraday-rotation effect. When the RF magnetic field intensity becomes strong, a saturation effect is observed. We measure the resonant peak under strong RF magnetic field driving and obtain a saturation dip as an indication of the saturation effect. Furthermore, we show that the line-width of the saturation dip is much smaller than that of magnetic resonance. Accordingly, the sensitivity of the precision measurement based on the saturation dip can be significantly improved. The relations between the saturation dip in the resonant peak and the driving RF magnetic field intensity, as well as pumping intensity, are also studied in our experiment. [ABSTRACT FROM AUTHOR]

All magnetometers using alkali atoms rely on the monochromatic light driving the optical pumping process in the D1 or D2 line to create spin-polarized atoms. In the study of a sodium (Na) magnetometer, we find that 23Na exhibits the same hyperfine structure as exhibited by the 87Rb atom but differs from Rb in terms of level splitting. The narrowly split hyperfine levels of the 23Na 3P3/2 excited state are comparable to its natural broadening (9.8 MHz). We have modeled the nearly unresolved hyperfine structure as a partially resolved multilevel system in which the absorption at each photon detuning will induce adjacent allowed transition pathways simultaneously. Thus, the corresponding optical pumping processes of 23Na and 87Rb are governed by similar rate equations but result in different redistributed populations. By numerically solving the rate equations, we demonstrate that optically pumped 23Na has a much smaller spin polarization than that of 87Rb because the population imbalances between the ground state Zeeman levels of 23Na are very small. The inefficient optical pumping can explain why Na magnetometers are not studied extensively. The investigation into the optical pumping process of 23Na is helpful in preparing a highly spin-polarized atomic medium and optimizing the sensitivity of Na magnetometers. [ABSTRACT FROM AUTHOR]

We have studied the spin relaxation dynamics in both n- and p-type layered bulk WSe2 under a perpendicular electric field by employing time-resolved Kerr rotation and helicity-resolved transient reflection measurements. The experimental results reveal the efficient tuning of spin relaxation time from 3 ps to 46 ps by the external electric field at 10 K. The dependence of spin relaxation time on the external electric field is understood based on active interlayer hopping. These studies demonstrate the gate-tunable spin polarization and relaxation in bulk transition metal dichalcogenides (TMDCs), which are fundamentally important for understanding spin dynamics and the practical design of spintronic devices based on bulk TMDCs. [ABSTRACT FROM AUTHOR]

We investigate stability of the spin exclusive or (XOR) gate operation in silicon(Si) -based lateral spin devices whose spin transport properties have large variations. The optimum charge current, I0, for the spin XOR gate operation is calculated by using the one dimensional spin-drift-diffusion model with variable spin polarization, interface resistance of the ferromagnetic contact, channel length and channel conductivity. I0 is strongly modulated by changing the spin transport parameters particularly under the condition with small spin polarization and short channel length. In contrast, I0 shows constant value irrespective of the interface resistance of one ferromagnetic contact under spin extraction condition. Our results provide a device design guideline for the robust spin XOR gate operation. [ABSTRACT FROM AUTHOR]

We theoretically present an anomalous zero bias conductance peak (ZBCP) in graphene junctions with proximity-induced ferromagnetism and d-wave anisotropic superconducting pair symmetry (ASPS) herein. It is revealed that in the thin insulator limit, the ZBCP can be periodically recovered by adjusting the sandwiched insulating barrier strength χ regardless of exchange field h and the phase of the periodical behaviours for h larger than its Fermi energy EF (h > EF) is exactly opposite to that for h < EF. Most interestingly, in the context of h > EF, the periodic oscillation of the nonzero bias conductance located in the ZBCP versus χ, is accompanied by an explicit splitting peak. Moreover, under the situation of the insulator with finite width, the conductance exhibits a stronger damping oscillation with bias voltage eV for any h, which is also accompanied by a splitting ZBCP at h > EF. These singular features originate from ferromagnetic-modulated midgap states characteristic by the relativistic nodal fermions, which confirms the spin polarization and ASPS of the graphene, and thus will be of great interest in the designing and fabrication of graphene superconducting spintronic devices. [ABSTRACT FROM AUTHOR]

Ultra-sensitive measurement of the magneto-optical rotation, due to interaction of linearly-polarized light passing through room-temperature Rb85 atoms, in response to change in longitudinal magnetic field (δBz) is demonstrated using the weak measurement method. The polarization rotation angle measurement sensitivity (δϕ) of 16 μrad and hence of the magnetometer of 1 nT, achieved using the weak measurement method is better than the balanced optical polarimetry results by a factor of three. The improvement in the measurement sensitivity is realized via optical amplification of the polarization rotation angle via spin-orbit coupled light beam-field. The method is devoid of external rf(/ac) modulation, allows for optimal tunability of sensitivity depending on the dynamic range of the applied magnetic field and the sensitivity can be further enhanced by operating in the spin exchange relaxation free regime of alkali spin polarization. [ABSTRACT FROM AUTHOR]

We simulated the optical pumping rate of 87Rb atoms with Xe and high-pressure buffer gas in a cubic cell. We calculated absorption cross-section as a function of pumping laser frequency by considering a pressure and Doppler broadening as gas temperature varies from 364 K to 414 K. In a steady state the spin polarization and the atomic population of 87Rb atoms were obtained by optical pumping in each ground state. We calculated the optimum beam waist, linewidth and detuning of pumping beam to achieve higher population of polarized atoms at cell parameters such as temperature, size. We simulated that the optimum beam waist is 0.3 times of cubic cell length at 250 Torr of di-nitrogen and 50 Torr of Xe gas pressure. The optimum laser beam linewidth parabolically increases with increasing the temperature in range of few ten kelvin and it exponentially decrease with increasing the cubic cell length. We also observed that few ten GHz detuned laser frequency increases the optical pumping rate. These numerical results show appropriate experimental parameter as a function of cell temperature and size to get maximum population of spin polarized atoms in given temperature range. [ABSTRACT FROM AUTHOR]

The crystal structure and magnetic properties of NiFeMnGaxSn1-x (x = 0, 0.25, 0.50, 0.75 and 1.00) Heusler compounds have been investigated experimentally and theoretically. The computational results suggest that NiFeMnGa0.75Sn0.25 is nearly half-metallic with a spin polarization P of 87%. The bulk samples prepared using arc-melting and annealing exhibit a high degree of Y-type order. All the investigated samples show ferromagnetic spin order with the Curie temperatures ranging from 284 K for NiFeMnGa to 408 K for NiFeMnSn. The intermediate composition NiFeMnGa0.75Sn0.25, which is predicted to be nearly half metallic, has a saturation magnetization of 66.50 emu/g and Curie temperature of 326 K. These results indicate that the NiFeMnGa0.75Sn0.25 alloy has potential for spin-transport-based devices. [ABSTRACT FROM AUTHOR]

Fe4N is one of the attractive materials for spintronic devices due to its large spin asymmetric conductance and negative spin polarization at the Fermi level. We have successfully deposited Fe4N thin film with (001) out-of-plane orientation using a DC facing-target-sputtering system. A Fe(001)/Ag(001) composite buffer layer is selected to improve the (001) orientation of the Fe4N thin film. The N2 partial pressure during sputtering is optimized to promote the formation of Fe4N phase. Moreover, we have measured the ferromagnetic resonance (FMR) of the (001) oriented Fe4N thin film using coplanar waveguides and microwave excitation. The resonant fields are tested under different microwave excitation frequencies, and the experimental results match well with the Kittel formula. The Gilbert damping constant of Fe4N is determined to be α = 0.021±0.02. We have also fabricated and characterized the current-perpendicular-to- plane (CPP) giant magnetoresistance (GMR) device with Fe4N/Ag/Fe sandwich. Inverse giant magnetoresistance is observed in the CPP GMR device, which suggests that the spin polarization of Fe4N and Fe4N/Ag interface is negative. [ABSTRACT FROM AUTHOR]

First-principles calculations have been performed to study the chemically doped platinum diselenide (PtSe2) monolayers.We examine the stability of different doping sites by calculating the formation energy. The different electronic and magnetic characters originate from hybridization between the dopants and nearest local atoms. Exceptional electronic and magnetic characters are observed in the B-, P-, Li-, and Ca-doped cases because of doping site independence. The magnetic behavior of the dopant atoms is found to be complex because of interplay between strong structural relaxation, spin lattice coupling, and crystal field splitting. More interestingly, the ferromagnetic half metallic character obtained in B- and N-doped cases, expected to be very useful because of large half metallic energy bandgap. The interaction between dopants is analyzed as a function of their separation, showing that substitution typically counteracts spin polarization. The long range ferromagnetic behavior can be established with improved stability which suggest the high magnetic transition temperatures, found for the B-, F-, N-, P-, and Li-doped at Pt sites which make them potential candidate for applications in electronic devices as well as in spintronics. [ABSTRACT FROM AUTHOR]

We propose an average Rb polarization model to analyze the influence of temperature on the spin polarization of Rb and 129Xe in a Nuclear Magnetic Resonance Gyroscope (NMRG) with low pump power. This model is essentially based on summing the Rb spin polarization along the direction of the pump beam and dividing the result by the cell length. We experimentally study the spin polarization of Rb and 129Xe atoms as a function of the cell temperature at low values of the pump power. The experimental results and the values calculated with the average Rb polarization model are in good agreement for both Rb and 129Xe. The spin polarization of Rb atoms decreases with increasing cell temperature, with a decreasing trend which is rapid at temperatures below 110 °C, and slower at temperatures above 110 °C. The experimental values of the 129Xe polarization, obtained with a pump power of 1 mW, first increase to a maximum P129Xe-a3e = 0.66 % at 118 °C, and then decreases as the temperature increases. Increasing the power of the pump beam shifts the temperature maximum to a higher value. Our model is suitable for the analysis of Rb and 129Xe polarization at high temperature and low pump power, i.e. when the power of the pump beam is completely absorbed within a few millimeters of the front window of the cell. Therefore, the present model can provide theoretical support for the improvement of the Signal-to-Noise-Ratio (SNR) of the NMRG, and to determine its optimal working temperature. [ABSTRACT FROM AUTHOR]

We have successfully deposited Fe4N thin films with (111) out-of-plane orientation on thermally oxidized Si substrates using a facing-target-sputtering system. A Ta/Ru composite buffer layer was adopted to improve the (111) orientation of the Fe4N thin films. The N2 partial pressure and substrate temperature during sputtering were optimized to promote the formation of the Fe4N phase. Furthermore, we measured the transport spin polarization of (111) oriented Fe4N by the point contact Andreev reflection (PCAR) technique. The spin polarization ratio was determined to be 0.50 using a modified BTK model. The film thickness dependence of the spin polarization was also investigated. The spin polarization of Fe4N measured by PCAR does not show degradation as the sample thickness was reduced to 10nm. [ABSTRACT FROM AUTHOR]

An unconventional iron superconductor, SmO0.7F0.3FeAs, has been utilized to determine the spin polarization and temperature dependence of a highly spin-polarized material, La0.67Sr0.33MnO3, with Andreev reflection spectroscopy. The polarization value obtained is the same as that determined using a conventional superconductor Pb but the temperature dependence of the spin polarization can be measured up to 52 K, a temperature range, which is several times wider than that using a typical conventional superconductor. The result excludes spin-parallel triplet pairing in the iron superconductor. [ABSTRACT FROM AUTHOR]

In order to polarize 87Rb vapor effectively with ultranarrow linewidth diode laser, we studied the polarization as a function of some parameters including buffer gas pressure and laser power. Moreover, we also discussed the methods which split or modulate the diode laser frequency so as to pump the two ground hyperfine levels efficiently. We obtained some useful results through numerical simulation. If the buffer gas pressure is so high that the hyperfine structure is unresolved, the polarization is insensitive to laser frequency at peak absorption point so frequency splitting and frequency modulation methods do not show improvement. At low pressure and laser power large enough, where the hyperfine structure is clearly resolved, frequency splitting and frequency modulation methods can increase polarization effectively. For laser diodes, frequency modulation is easily realized with current modulation, so this method is attractive since it does not add any other components in the pumping laser system. [ABSTRACT FROM AUTHOR]

The post annealing temperature dependence of spin accumulation and transport signals in Co2FeSi/MgO/n+-Si on insulator were investigated. The spin signals were detected using 3- and 4-terminal Hanle, 2-terminal local and 4-terminal nonlocal magnetoresistance measurements. The post annealing temperature (TA) dependence of the magnitude in 3-terminal narrow Hanle signals is nearly constant up to TA < 400°C, however a slight decrease above TA ≥ 400°C is observed. This behavior is consistent with the TA dependence of the magnitude of 4-terminal nonlocal magnetoresistance (MR) signals. The spin polarization estimated from the 3-terminal narrow Hanle signals and the magnitude of 2-terminal local MR signals show a slight improvement with increasing post annealing temperature with a peak at around 325°C and then start reducing slowly. The slight increase in the spin signal would be due to high spin polarization of Co2FeSi as a result of structural ordering. The 2-terminal local MR signals do not vary significantly by annealing between as-deposited and TA = 400°C, indicating the robustness of our device. This result would be useful for future Si spintronics devices. [ABSTRACT FROM AUTHOR]

Using the density functional theory and the nonequilibrium Green's function method, we study the spin transport behaviors in zigzag boron-nitrogen-carbon nanoribbons (ZBNCNRs) by modulating the edge hydrogenation and the position of B-N nanoribbons (BNNRs) chain. The different edge hydrogenations of the ZBNCNRs and the different position relationships of the BNNRs have been considered systematically. Our results show that the metallic, semimetallic and semiconductive properties of the ZBNCNRs can be modulated by the different edge hydrogenations and different position relationships of BN chains. And our proposaled ZBNCNRs devices act as perfect spin-filters with nearly 100% spin polarization. These effects would have potential applications for boron-nitrogen-carbon-based nanomaterials in spintronics nano-devices. [ABSTRACT FROM AUTHOR]

By performing first-principle quantum transport calculation, the spin-dependent transport properties of zigzag-edged bilayer graphene nanoribbon based devices are investigated. There are four kinds of structures with different stacking sequences and treatment of dangling bonds considered in our work. It is shown that the devices are perfect spin-filters with extremely large spin polarization as well as substantial negative differential resistance effects, which are affected by the stacking sequences and edge structures. All these phenomena can be explained by the spinresolved local density of states and the tranmission spectra. [ABSTRACT FROM AUTHOR]

Spin-polarized DFT has been used to perform a comparative study of the geometric structures and electronic properties for isolated M4X4 nano clusters between their two stable isomers - a planar rhombus-like 2D structure and a cubane-like 3D structure with M = Mn, Fe, Co, Ni, Cu ; X = O, S. These two structural patterns of the M4X4 clusters are commonly found as building blocks in several poly-nuclear transition metal complexes in inorganic chemistry. The effects of the van der Waals corrections to the physical properties have been considered in the electronic structure calculations employing the empirical Grimme's correction (DFT+D2). We report here an interesting trend in their relative structural stability - the isolated M4O4 clusters prefer to stabilize more in the planar structure, while the cubane-like 3D structure is more favorable for most of the isolated M4S4 clusters than their planar 2D counterparts. Our study reveals that this contrasting trend in the relative structural stability is expected to be driven by an interesting interplay between the s-d and p-d hybridization effects of the constituents' valence electrons. [ABSTRACT FROM AUTHOR]

We report a novel method of measuring the spin polarization of alkali-metal atoms by detecting the NMR frequency shifts of noble gases. We calculated the profile of 87Rb D1 line absorption cross sections. We then measured the absorption profile of the sample cell, from which we calculated the 87Rb number densities at different temperatures. Then we measured the frequency shifts resulted from the spin polarization of the 87Rb atoms and calculated its polarization degrees at different temperatures. The behavior of frequency shifts versus temperature in experiment was consistent with theoretical calculation, which may be used as compensative signal for the NMRG closed-loop control system. [ABSTRACT FROM AUTHOR]

Spin dependent transport in one-dimensional (1D) three-terminal rings is investigated in the presence of the Rashba spin-orbit coupling (RSOC). We focus on the spin dependent conductances and the components of the spin polarization vectors of the currents in the outgoing terminals. For this purpose, the transmission coefficients with respect to the σx, σy and σz basis are obtained, and the three components of the spin polarization vectors are evaluated analytically. The total conductances, the spin dependent conductances and the polarization components are obtained as functions of the incident electron energy, as well as the RSOC strength, for the totally symmetric, partially symmetric and asymmetric cases. It is found that the spin polarizations corresponding to the σy basis are zero, and that there is a symmetry in the total conductances, the spin dependent conductances and the polarization components for symmetric cases, i.e., G1 = G2, g1τ = g2-τ, and P1i = -P2i (i = x, z). This symmetry is attributed to the rotational symmetry in the symmetrically coupled rings. For asymmetric cases, however, it is broken by the asymmetric lead-ring configuration. [ABSTRACT FROM AUTHOR]

Based on the first-principles calculations, quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In) including its phase stability, band gap, the electronic structures and magnetic properties has been studied systematically. We have found that, in terms of the equilibrium lattice constants, FeMnScZ (Z=Al, Ga, In) are half-metallic ferrimagnets, which can sustain the high spin polarization under a very large amount of lattice distortions. The half-metallic band gap in FeMnScZ (Z=Al, Ga, In) alloys originates from the t1u-t2g splitting instead of the eu-t1u splitting. The total magnetic moments are 3μB per unit cell for FeMnScZ (Z=Al, Ga, In) alloys following the Slater-Pauling rule with the total number of valence electrons minus 18 rather than 24. According to the study, the conclusion can be drawn that all of these compounds which have a negative formation energy are possible to be synthesized experimentally. [ABSTRACT FROM AUTHOR]

Using the first-principles methods, we investigate the thermospin properties of a two-probe model based on zigzag-edge silicene nanoribbons (ZSiNRs). Compared with the odd-width ZSiNRs, the spin Seebeck coefficient of the even-width ZSiNRs is obviously enhanced at room temperature. This fact is attributed to a nearly perfect symmetry of the linear conductance gap with the different spin index with respect to the Fermi level induced by the different parity of the wave functions. More interestingly, the corresponding charge Seebeck coefficient is near zero. Therefore, when a thermal bias is presented in the even-width ZSiNRs, a nearly pure spin current is achieved. Meanwhile, the spin polarization of the current approaches infinite. [ABSTRACT FROM AUTHOR]

The dephasing time of spin-polarized atoms in an atomic vapor cell plays an important role in determining the stability of vapor-cell clocks as well as the sensitivity of optically-pumped magnetometers. The presence of a buffer gas can extend the lifetime of these atoms. Many vapor cell systems operate at a fixed (often elevated) temperature. For ambient temperature operation with no temperature control, it is necessary to characterize the temperature dependence as well. We present a spin-polarization lifetime study of Cesium vapor cells with different buffer gas pressures, and find good agreement with expectations based on the combined effects of wall collisions, spin exchange, and spin destruction. For our (7.5 mm diameter) vapor cells, the lifetime can be increased by two orders of magnitude by introducing Ne buffer gas up to 100 Torr. Additionally, the dependence of the lifetime on temperature is measured (25 - 47 oC) and simulated for the first time to our knowledge with reasonable agreement. [ABSTRACT FROM AUTHOR]

We study theoretically spin transport through a single-molecule magnet (SMM) in the sequential and cotunneling regimes, where the SMM is weakly coupled to one ferromagnetic and one normal-metallic leads. By a master-equation approach, it is found that the spin polarization injected from the ferromagnetic lead is amplified and highly polarized spin-current can be generated, due to the exchange coupling between the transport electron and the anisotropic spin of the SMM. Moreover, the spin-current polarization can be tuned by the gate or bias voltage, and thus an efficient spin injection device based on the SMM is proposed in molecular spintronics. [ABSTRACT FROM AUTHOR]

We investigate the nonlinear regime of temperature-driven spin-related currents through a single molecular magnet (SMM), which is connected with two metal electrodes. Under a large spin approximation, the SMM is simplified to a natural two-channel model possessing spin-opposite configuration and Coulomb interaction. We find that in temperature-driven case the system can generate spin-polarized currents. More interestingly, at electron-hole symmetry point, the competition of the two channels induces a temperature-driven pure spin current. This device demonstrates that temperature-driven SMM junction shows some results different from the usual quantum dot model, which may be useful in the future design of thermal-based molecular spintronic devices. [ABSTRACT FROM AUTHOR]