Oxygen-vacancy-induced diffusive scattering in Fe/MgO/Fe magnetic tunnel junctions

By first principles analysis, we systematically investigate effects of oxygen vacancies (OV) in the MgO barrier of Fe/MgO/Fe magnetic tunnel junctions. The interchannel diffusive scattering by disordered OVs located at or near the Fe/MgO interface drastically reduces the tunnel magnetoresistance ratio (TMR) from the ideal theoretical limit to the presently observed much smaller experimental range. Interior OVs are far less important in influencing TMR, but they significantly increase the junction resistance. Filling OV with nitrogen atoms restores TMR to near the ideal theoretical limit.     

First principles modeling of tunnel magnetoresistance of Fe/MgO/Fe trilayers

We report ab initio calculations of nonequilibrium quantum transport properties of Fe/MgO/Fe trilayer structures. The zero bias tunnel magnetoresistance is found to be several thousand percent, and it is reduced to about 1000% when the Fe/MgO interface is oxidized. The tunnel magnetoresistance for devices without oxidization reduces monotonically to zero with a voltage scale of about 0.5-1 V, consistent with experimental observations. We present an understanding of the nonequilibrium transport by investigating microscopic details of the scattering states and the Bloch bands of the Fe leads.     

Effects of disorder on tunnel magnetoresistance in Fe/MgO/Fe junctions

Effects of lattice distortion and oxygen vacancy on tunnel magnetoresistance in Fe/MgO/Fe junctions are theoretically investigated. By treating the distortion in MgO as the random potential and performing numerical simulations based on the Kubo–Landauer formula, it is shown that the magnetoresistance ratio decreases with increasing randomness. Moreover, first-principles calculations within the density functional theory show that the defect states in the Fe/MgO cluster containing an oxygen vacancy induce no significant shift in the Fermi level.     

Oxygen-induced symmetrization and structural coherency in Fe/MgO/Fe(001) magnetic tunnel junctions

We present x-ray diffraction experiments and multiple-scattering calculations on the structure and transport properties of a Fe/MgO/Fe(001) magnetic tunnel junction (MTJ). Coherent growth of the top Fe electrode on the MgO spacer is observed only for Fe deposition in ambient oxygen atmosphere leading to a coherent and symmetric MTJ structure characterized by FeO layers at both interfaces. This goes in parallel with calculations indicating large positive tunnel magnetoresistance (TMR) values in such symmetric junctions. The results have important implications for achieving giant TMR values.     

Electric and thermo spin transfer torques in Fe/Vacuum/Fe tunnel junction

We present first-principle calculations of electric and thermo spin transfer torques (STT) in Fe/Vacuum(Vac)/Fe magnetic tunnel junctions (MTJs). Our quantitative studies demonstrate rich bias dependence of STT and tunnel magneto resistance (TMR) behaviors with respect to the interface roughness. Thermoelectric effects in Fe/Vac/Fe MTJs is remarkable. We observe larger ZT of 6.2 in 8 ML clean Vacuum barrier, where the heavily restrained thermal conductance should be responsible for. Thermo-STT in Fe/Vac/Fe MTJs show same order as that in Fe/MgO/Fe MTJs with similar barrier thickness.     

Interfacial resonance state probed by spin-polarized tunneling in epitaxial Fe/MgO/Fe tunnel junctions

The direct impact of the electronic structure on spin-polarized transport has been experimentally proven in high-quality Fe/MgO/Fe epitaxial magnetic tunnel junctions, with an extremely flat bottom Fe/MgO interface. The voltage variation of the conductance points out the signature of an interfacial resonance state located in the minority band of Fe(001). When coupled to a metallic bulk state, this spin-polarized interfacial state enhances the band matching at the interface and therefore increases strongly the conductivity in the antiparallel magnetization configuration. Consequently, the tunnel magnetoresistance is found to be positive below 0.2 V and negative above. On the other hand, when the interfacial state is either destroyed by roughness-related disorder or not coupled to the bulk, the magnetoresistance is almost independent on the bias voltage.     

Modified gap states in Fe/MgO/SrTiO3 interfaces studied with scanning tunneling microscopy

The geometric and electronic structures of Fe islands on MgO film layers were studied with scanning tunneling microscopy and spectroscopy. The MgO layers were grown on a Nb-doped single crystal SrTiO₃ (100) surface. Deposited Fe atoms aggregate into islands, the height and diameter of which are about 2.5 and 9.4 nm respectively. Fe islands modify the electronic structure of MgO surface; a ring type depression in the scanning tunneling microscope topography appears by lowered local electron density of states around Fe islands. We find that adsorbed Fe atoms reduce the gap states of MgO layers around Fe islands, which is attributed to the reason for the depletion of the electronic density of states.     

Strong anti-strain capacity of CoFeB/MgO interface on electronic structure and state coupling

Electronic structure and spin-related state coupling at ferromagnetic material(FM)/MgO(FM = Fe, CoFe, CoFeB)interfaces under biaxial strain are evaluated using the first-principles calculations. The CoFeB/MgO interface, which is superior to the Fe/MgO and CoFe/MgO interfaces, can markedly maintain stable and effective coupling channels for majorityspin ?_1 state under large biaxial strain. Bonding interactions between Fe, Co, and B atoms and the electron transfer between Bloch states are responsible for the redistribution of the majority-spin ?_1 state, directly influencing the coupling effect for the strained interfaces. Layer-projected wave function of the majority-spin ?_1 state suggests slower decay rate and more stable transport property in the CoFeB/MgO interface, which is expected to maintain a higher tunneling magnetoresistance(TMR) value under large biaxial strain. This work reveals the internal mechanism for the state coupling at strained FM/MgO interfaces. This study may provide some references to the design and manufacturing of magnetic tunnel junctions with high tunneling magnetoresistance effect.     

Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: first-principles calculations

A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with the voltage bias of electrons transmitted across this interface. Using a Green's function approach within the local spin-density approximation, we calculate the spin-dependent current in a Fe/GaAs/Cu tunnel junction as a function of the applied bias voltage. We find a change in sign of the spin polarization of tunneling electrons with bias voltage due to the interface minority-spin resonance. This result explains recent experimental data on spin injection in Fe/GaAs contacts and on tunneling magnetoresistance in Fe/GaAs/Fe magnetic tunnel junctions.     

First-principle study on the electronic structure and magnetic properties in Fe/MgO/Fe magnetic tunnel junction with Mg insertion layer

The effect of a Mg insertion layer between the Fe electrode and the MgO barrier layer on the electronic structure and magnetic properties of Fe/MgO/Fe magnetic tunnel junction has been studied by first-principle method. Two models of (a) Fe(1 0 0)/MgO(1 0 0)/Fe(1 0 0) and (b) Fe(1 0 0)/Mg/MgO(1 0 0)/Mg/Fe(1 0 0) were established. Our calculation results show that the Mg insertion layer has enhanced both the spin polarization and the magnetic moment of its adjacent Fe layer. The results have been discussed in terms of the variation in the DOS features and charge transfer with the Mg insertion layer.     

Spin-dependent tunneling characteristics in Fe/MgO/Fe trilayers: First-principles calculations

Spin-dependent transport properties are investigated in a single-crystal magnetic tunnel junction (MTJ) which consists of two Fe electrodes separated by an MgO insulating barrier. Our calculations are based on the first-principle density functional theory including the metal–oxide interface. Modifications are observed in the electronic and magnetic structure of the interface as a result of oxidation. Spin polarizations (SPs) more than 80% and ?86% are obtained at zero temperature for clean interfaces in the parallel and anti-parallel alignments of the ferromagnetic electrodes, respectively, when a 7 monolayer MgO is used as the barrier. In the parallel alignment, the zero-bias SP is observed to be positive throughout the barrier reaching to a maximum at the central point. On the other hand, in the anti-parallel alignment, the SP of the electrodes is seen to penetrate deep into the barrier. The effects of interface oxidation on the band structure of the electrode surfaces are simulated using the fixed-spin-moment calculations. Also, we study dependence of the tunneling magnetoresistance on the barrier thickness and applied voltage in the trilayer within the effective mass approximation. It is shown that the TMR ratio decreases rapidly with increasing the barrier thickness and applied voltage. Our calculations explain qualitatively the main features of the recent experimental observations. Our results may be useful for the development of spintronic devices.     

Spin-dependent resonant tunneling through quantum-well states in magnetic metallic thin films

Quantum-well (QW) states in nonmagnetic metal films between magnetic layers are known to be important in spin-dependent transport, but QW states in magnetic films remains elusive. Here we identify the conditions for resonant tunneling through QW states in magnetic films and report first principles calculations of Fe/MgO/FeO/Fe/Cr and Co/MgO/Fe/Cr. We show that, at resonance, the current increases by 1 to 2 orders of magnitude. The tunneling magnetoresistance ratio is much larger than in simple spin tunnel junctions and is positive (negative) for majority- (minority-) spin resonances, with a large asymmetry between positive and negative biases. The results can serve as a basis for novel spintronic devices.     

TMR与GMR传感器1/f噪声的研究进展

隧道结磁阻(TMR) 传感器及巨磁阻(GMR) 传感器的1/f噪声在低频段噪声功率密度较大, 是影响其低频下分辨率和灵敏度的主要噪声形式. 本文详细介绍了近年来TMR传感器及GMR传感器1/f噪声的特点、来源、理论模型、检测方法及降噪措施等方面的研究进展, 并就隧道结磁阻传感器1/f噪声的物理模型进行了详细解释. 通过纳米模拟软件Virtual NanoLab对不同MgO厚度的Fe/MgO/Fe型磁性隧道结(MTJ) 进行了隧穿概率和TMR变化率的模拟计算, 得到保守估计与乐观估计的TMR变化率, 分别为98.1%与10324.55%, 同时通过MTJ的噪声模型分析了MgO厚度对TMR传感器噪声的影响. 制备了磁屏蔽系数大于10000的磁屏蔽筒并搭建了磁阻传感器1/f噪声的测试平台, 通过测试验证了磁屏蔽系统对环境磁场具有较好的屏蔽效果, 为噪声检测提供了稳定的磁场空间. 最后分析了TMR与GMR中各种因素对传感器噪声的影响, 提出了影响MTJ传感器1/f噪声的因素及一些降噪措施.     

MgO单晶势垒磁性隧道结的第一性原理计算和实验研究

在MgO单晶势垒磁性隧道结中发现的室温高隧穿磁电阻现象,是近些年自旋电子学以及磁性隧道结磁电阻材料研究中的又一重大突破.本文主要评述和介绍2001年以来MgO单晶势垒磁性隧道结第一性原理计算和实验上的重要进展,以及介绍利用Layer-KKR第一性原理计算方法研究的Fe(001)/MgO/Fe、Fe(001)/FeO/MgO/Fe、Fe(001)/Mg/MgO/Fe、Fe(001)/Co/MgO/Co/Fe和Fe(001)[MgO/Fe/MgO/Fe等基于单晶MgO(001)单势垒及双势垒磁性隧道结材料的电子结构和自旋相关输运性质研究的最新进展.这些第一性原理定量计算的结果,不仅从物理上增强了对MgO单晶势垒磁性隧道结的电子结构和自旋相关输运特性的了解,而且对于研究新型室温磁电阻隧道结材料及其在自旋电子学器件中的广泛应用,具有一定的参考价值.     

Quantum oscillation of the tunneling conductance in fully epitaxial double barrier magnetic tunnel junctions

We investigated spin-dependent tunneling conductance properties in fully epitaxial double MgO barrier magnetic tunnel junctions with layered nanoscale Fe islands as a middle layer. Clear oscillations of the tunneling conductance were observed as a function of the bias voltage. The oscillation, which depends on the middle layer thickness and the magnetization configuration, is interpreted by the modulation of tunneling conductance due to the spin-polarized quantum well states created in the middle Fe layer. This first observation of the quantum size effect in the fully epitaxial double barrier magnetic tunnel junction indicates great potential for the development of the spin-dependent resonant tunneling effect in coherent tunneling regime.     

Geometrical and compositional structure at metal-oxide interfaces: MgO on Fe(001)

The geometric structure of MgO deposited on Fe(001) in ultrahigh vacuum by electron evaporation was determined in detail by using surface x-ray diffraction. In contrast to the common belief that MgO grows in direct contact on the Fe(001) substrate, we find an FeO interface layer between the substrate and the growing MgO structure which has not been considered thus far. This result opens new perspectives for the understanding of the Fe/MgO/Fe(001) interface and the tunneling magnetoresistance effect in general.     

Growth and morphology of the epitaxial Fe(1 1 0)/MgO(1 1 1)/Fe(1 1 0) Trilayers

Growth and surface morphology of epitaxial Fe(1 1 0)/MgO(1 1 1)/Fe(1 1 0) trilayers constituting a magnetic tunnel junction were investigated by low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). STM reveals a grain-like growth mode of MgO on Fe(1 1 0) resulting in dense MgO(1 1 1) films at room temperature as well as at 250 °C. As observed by STM, initial deposition of MgO leads to a partial oxidation of the Fe(1 1 0) surface which is confirmed by Auger electron spectroscopy. The top Fe layer deposited on MgO(1 1 1) at room temperature is relatively rough consisting of clusters which can be transformed by annealing to an atomically flat epitaxial Fe(1 1 0) film.     

Spin-resolved photoelectron spectroscopy of the MgO/Fe(110) system

The surface structure and electronic properties of ultrathin MgO layers grown on epitaxial Fe(110) films were investigated at room temperature by means of electron diffraction, Auger electron spectroscopy, scanning tunneling microscopy, and spin-resolved photoelectron spectroscopy. The spin polarization at the Fermi level (E_F) of the Fe(110) film decreases sharply with increasing thickness of the MgO layer. This behavior arises from the formation of a thin FeO layer at the MgO(111)/Fe(110) interface, as revealed by structural and spectroscopic investigations. The strong attenuation of the intrinsic spin polarization is qualitatively attributed to the scattering of spin-polarized electrons at the unoccupied d-orbitals of Fe²⁺. PACS 68.35.-p; 68.55.-a; 73.20.r; 75.70.Cn; 79.60.-I     

Tunneling magnetoresistance on the subnanometer scale

The influence of the finite thickness and structure, amorphous or crystalline, of Fe electrodes on the tunneling magnetoresistance (TMR) ratio is investigated by ab initio calculations in Fe/MgO/Fe tunnel junctions. An amorphous Fe layer in direct contact with the MgO barrier causes a low TMR ratio of only 44%. By inserting crystalline Fe monolayers between the barrier and the amorphous Fe the TMR ratio increases rapidly and reaches the same level as for semi-infinite Fe electrodes. Even one crystalline Fe monolayer is sufficient to achieve a giant TMR ratio exceeding 500%. Omitting the amorphous Fe has nearly no influence on the results if there are more than two monolayers of crystalline Fe next to the barrier. The results demonstrate that the reservoirs can even be nonmagnetic. The TMR emerges from the interplay of symmetry selection in the barrier and spin filtering at the electrode-barrier interface.     

Interlayer magnetic coupling interactions of two ferromagnetic layers by spin polarized tunneling

Magnetic interactions involving ferromagnetic layers separated by an insulating barrier have been studied experimentally on a fully epitaxial hard-soft magnetic tunnel junction: Fe/MgO/Fe/Co. For a barrier thickness below 1 nm, a clear antiferromagnetic interaction is observed. Moreover, when reducing the MgO thickness from 1 to 0.5 nm, the coupling strength increases up to J=-0.26 erg.cm(-2). This behavior, well fitted by theoretical models, provides an unambiguous signature of the interlayer exchange coupling by spin-polarized quantum tunneling.