光电协同增强的场效应对LaAlO_3/SrTiO_3界面中持续光电导的调控

LaAlO_3/SrTiO_3异质结界面体系具有新奇的二维自由电子气现象、暂态光电导效应、持续光电导效应等丰富的光电性质,是近年来科学界研究的热点之一.本文研究了场效应对LaAlO_3/SrTiO_3界面光电导效应的调控,发现光电协同增强的场效应可以使得LaAlO_3/SrTiO_3界面产生显著的持续光电导效应,进一步研究发现:在光电协同效应的影响下,随着负的背栅门电压的增加,持续光电导的数值增大,在-70 V附近达到极值;随着负的背栅门电压处理时间的增加,持续光电导的数值单调增加.LaAlO_3/SrTiO_3异质结中这种场增强的持续光电导效应可为多参数可调的光电子记忆器件的研发提供参考依据.     

不同组分厚度比的LaMnO3/SrTiO3异质界面电子结构和磁性的第一性原理研究

基于密度泛函理论的第一性原理计算, 研究了(LaMnO₃)_n/(SrTiO₃)_m(LMO/STO)异质界面的离子弛豫、电子结构和磁性质. 研究表明, 不同组分厚度比及界面类型时, 离子弛豫程度各不相同, 并且界面处的电子性质受此影响较大. 对于n型界面, 当LMO的厚度达到6个单胞层后, 电子会从LMO转移到STO, 转移的电子占据界面层Ti原子的3d电子轨道, 界面处出现二维电子气. 对于n型界面(LMO)_n/(STO)₂, 随着LMO厚度数n的增加, 由离子弛豫造成的结构畸变减小, 而界面处Ti原子周围电子的态密度和自旋极化却增大, 表明高厚度比的n型界面有利于产生高迁移率的二维电子气和自旋极化. 而对于p型(LMO)₂/(STO)₈界面, 在STO一侧基本没有结构畸变, 界面处无电子转移和自旋极化现象. 通过计算平均静电势发现n型和p型界面处的势差大小相差2 eV, 解释了p型界面不容易发生电荷转移的原因.     

Sr掺杂对La_(1-x)Sr_xMnO_3/LaAlO_3/SrTiO_3界面电子结构的影响

采用基于密度泛函理论的第一性原理计算方法,系统地研究了La_(1-x)Sr_xMnO_3层中Sr的掺杂方式和掺杂量对4La_(1-x)Sr_xMnO_3/3LaAlO_3/4SrTiO_3(LSMO/LAO/STO)异质结构原子和电子结构的影响.结果表明:对于相同的Sr掺杂量,掺杂方式的差异对体系电子结构的影响微弱,不会导致体系发生金属-绝缘体转变;掺杂量的不同对体系电子结构有着显著的影响,当Sr的掺杂量较少时,LAO/STO界面处存在着准二维电子气,当Sr的掺杂量高于1/3时,LAO/STO界面处准二维电子气消失.我们相信,Sr的引入以及通过Sr掺杂量的改变可以对LSMO覆盖层极化进行调控,这也是导致体系LAO/STO界面处金属-绝缘体转变的可能原因,进一步为极化灾变机制导致的界面处电子重构提供了证据.     

应力下SmNiO_3钙钛矿氧化物薄膜材料的电导与红外光电导

稀土镍基钙钛矿氧化物RNiO_3(R为稀土元素)可以在温度触发下发生从电子游离态到局域态的金属绝缘体转变,这一特性在传感器,数据存储,调制开关等方面具有可观的应用价值.本文通过脉冲激光沉积法,在钛酸锶(SrTiO_3)、铝酸镧(LaAlO_3)单晶衬底上准外延生长热力学亚稳态镍酸钐(SmNiO_3)薄膜材料,利用薄膜与衬底间晶格失配引入界面应力,实现对SmNiO_3电子轨道结构与金属绝缘体相变温度的调节.结合电输运性质与红外透射实验的综合表征研究,论证了双向拉伸应变引起的晶格双向拉伸畸变,可以引起SmNiO_3的禁带宽度的展宽,从而稳定绝缘体相并提高金属-绝缘相转变温度.进一步结合近边吸收同步辐射实验表征,揭示了拉伸应变稳定SmNiO_3绝缘体相的本质在于Ni—O成键轨道在双向拉伸形变作用下的弱化,使得镍氧八面体中的价电子偏离镍原子从而稳定SmNiO_3的低镍价态绝缘体相.     

X-ray diffraction studies of epitaxy in orthorhombic- DyMnO3/Er1Ba2Cu3O7-δ thin film heterostructures on LaAlO3 (100) substrates

The heteroepitaxy in DyMnO₃/Er₁Ba₂Cu₃O_7-δ bilayer thin films on LaAlO₃ (100) substates was characterized by four-circle X-ray diffractometry. The Er₁Ba₂Cu₃O_7-δ thin films on LaAlO₃ (100) substrates were prepared by molecular-beam deposition (MBD) and post-growth annealing in wet and dry O₂ at 880°C, whereas the DyMnO₃ thin films on the Er₁Ba₂Cu₃O_7-δ/LaAlO₃ (100) heterostructure were deposited by MBD and post-growth annealing in dry O₂ at 750°C. The conventional X-ray diffraction (XRD) patterns as well as pole figures (φ-scans) for specific (hkl) reflections were acquired. The Er₁Ba₂Cu₃O_7-δ thin film in the DyMnO₃/Er₁Ba₂Cu₃O_7-δ/LaAlO₃ (100) heterostructure showed [001] oriented epitaxial growth, as expected. The DyMnO₃ thin film on the Er₁Ba₂Cu₃O_7-δ epilayer in the heterostructure grew with (110) epitaxy in its metastable orthorhombic phase (lattice constants: a_o=5.272 Å, b_o=5.795 Å and c_o=7.38 Å). The heteroepitaxial relationships at the orthorhombic-DyMnO O₃ (110) /Er₁Ba₂Cu₃O_7-δ (001) interface was determined as the following: DyMnO₃ (110) Er₁Ba₂Cu₃O_7-δ (001), DyMnO₃ [1 0] ¶r; Er₁Ba₂Cu₃O_7-δ[100] or Er₁Ba₂Cu₃O_7-δ[010], and DyMnO₃ [001] ¶r; Er₁Ba₂Cu₃O _7-δ[010] or Er₁Ba₂Cu₃O_7-δ [100].     

In-plane anisotropy in two-dimensional electron gas at LaAlO_3/SrTiO_3(110) interface

A systematic study of the two-dimensional electron gas at La AlO_3/SrTiO_3(110) interface reveals an anisotropy along two specific directions, [001] and 1ī0. The anisotropy becomes distinct for the interface prepared under high oxygen pressure with low carrier density. Angular dependence of magnetoresistance shows that the electron confinement is stronger along the 1ī0 direction. Gate-tunable magnetoresistance reveals a clear in-plane anisotropy of the spin–orbit coupling,and the spin relaxation mechanism along both directions belongs to D'yakonov–Perel'(DP) scenario. Moreover, in-plane anisotropic superconductivity is observed for the sample with high carrier density, the superconducting transition temperature is lower but the upper critical field is higher along the 1ī0 direction. This in-plane anisotropy could be ascribed to the anisotropic band structure along the two crystallographic directions.     

顺磁性La2/3Sr1/3MnO3层对Bi0.8Ba0.2FeO3薄膜多铁性能的影响

界面效应在提升异质结构材料的多铁性能方面有着重要的作用. 本文采用脉冲激光沉积技术在SrTiO₃(STO)基片上制备了Bi_0.8Ba_0.2FeO₃(BBFO)/La_2/3Sr_1/3MnO₃(LSMO)异质结. X-射线衍射图谱表明异质结呈现单相外延生长, 利用高分辨透射电镜进一步证实了BBFO为四方相结构. X-射线光电子能谱证实异质结中只存在Fe³⁺ 离子, 没有产生价态的变化, 揭示了异质结铁电和铁磁性的增强与BBFO/LSMO的界面有关. 同时, 测试了磁电阻(MR)和磁介电(MD), 当磁场强度为0.8 T, 温度为70 K时, MR约为-42.2%, MD约为21.2%. 并且发现在180 K时出现磁相的转变. 实验结果揭示出异质界面效应在提升材料的多铁性和磁电耦合效应方面具有超常的优点, 是加快多铁材料实际应用的有效途径.     

SUPERCONDUCTING PROPERTIES AND STRUCTURAL PERFECTION OF EPITAXIAL YBa2Cu3O7-x THIN FILMS

High quality epitaxial YBa₂Cu₃O_7-x thin films have been succcessfully prepared by dc magnetron sputtering deposition, on (100) and (110) aligned SrTiO₃, LaAlO₃ and yttria-stabilized zirconia (YSZ) substrates. The films showed zero resistance around 90 K and had a J_c (at 77 K, H=0) over 10⁶A/cm². It was found that superconducting properties and structures of the films were strongly dependent on oxygen pressure and substrate temperature. The epitaxial structure of the films have been studied by X-ray diffraction. Rutherford backscattering and channeling spectroscopy, X-ray double-crystal diffraction and transmission election microscopy. The experimental results demonstrated that the epitaxial YBa₂Cu₃O_7-x films had excellent superconducting properties and quite perfect structure.     

Anomalous anisotropic magnetoresistance in single-crystalline Co/SrTiO3(001) heterostructures

The anisotropic magnetoresistances (AMRs) in single crystalline Co(6 nm)/SrTiO₃(001) heterostructures from 5 K to 300 K with the current direction setting along either Co[100] or Co[110] are investigated in this work. The anomalous (normal) AMR is observed below (above) 100 K. With the current along Co[100] direction, the AMR shows negative longitudinal and positive transverse magnetoresistances at T< 100 K, while the AMR is inverse with the current along Co[110]. Meanwhile, the amplitude ratio between Co[110] and Co[100] is observed to be as large as 29 at 100 K. A crystal symmetry-adapted model of AMR demonstrates that interplay between the non-crystalline component and crossed AMR component results in the anomalous AMR. Our results may reveal more intriguing magneto-transport behaviors of film on SrTiO₃ or other perovskite oxides.     

单层FeSe薄膜/氧化物界面高温超导

单层FeSe/SrTiO₃界面增强超导的发现为理解高温超导机理提供了一个新的途径,也为实现新的高温超导体开拓了新思路.本文通过在SrTiO₃（001）表面高温沉积Mg进而沉积单层FeSe薄膜,制备出了FeSe/MgO双层/SrTiO₃异质结.利用扫描隧道显微镜研究了异质结的电学及超导特性,观测到约14–15 meV的超导能隙,比体相FeSe超导能隙值增大了5–6倍,与K掺杂双层FeSe/SrTiO₃的超导能隙值相当.这一结果可理解为能带弯曲造成的界面电荷转移和界面处电声耦合共同作用导致的超导增强.FeSe/MgO界面是继FeSe/TiO₂之后的一个新界面超导体系,为研究界面高温超导机理提供了新载体.     

Magnetic properties of oxides and silicon single crystals

The magnetic properties of single crystals Si, SrTiO₃, LaAlO₃, MgO, and (La,Sr)(Al,Ta)O₃ were investigated systematically. Three origins of the magnetizations of these crystals, namely, an intrinsic diamagnetic, a paramagnetic, and a ferromagnetic contribution, have been found to influence the magnetic signals measured on the crystals, in some important application scenarios such crystals being served as substrates with the magnetic thin film epitaxially grown on. Quantitative analyses methodologies were developed and thorough investigations were performed on the crystals with the intrinsic materials parameters thus revealed, especially that the intrinsic diamagnetic susceptibility differential dχ_dia/dT were identified quantitatively for the first time in SrTiO₃, LaAlO₃, MgO, and (La,Sr)(Al,Ta)O₃. The paramagnetic contribution is found to be the key in terms of the magnetic properties of the crystals, which in turn is in fact a consequence of the 3d impurities doping inside the crystal. All the intrinsic materials parameters are given in this paper as datasets, the datasets are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00028.     

(Sr_(1-1.5x)Y_x)TiO_3模拟固化~(90)Y的稳定性研究

为了研究钙钛矿结构的SrTiO_3固化Y~(3+)(~(90)Y的模拟物)的化学稳定性,以Sr(NO_3)_2,TiO_2及Y_2O_3粉体作为原料,按照化学计量比Sr_(1-1.5x)Y_xTiO_3(0≤x≤0.12)设计配方,采用高温固相法制备一系列固化体.利用X射线衍射、扫描电镜和Raman对制备固化体的物相、结构和微观形貌进行分析表征,并对其抗浸出性能进行了研究.结果表明:当x0.08时,固化体为单一物相,当x≥0.08时,固化体中出现部分烧绿石相;固化体中的Sr~(2+),Y~(3+)的浸出浓度随浸泡时间延长而增大,在浸泡42d时,Sr~(2+)的最大浸出浓度为0.004μg·mL~(-1),Y~(3+)的最大浸出浓度为0.02μg·mL~(-1).     

Orientation-dependent ferroelectricity of strained PbTiO3 films

PbTiO₃ is a simple but very important ferroelectric oxide that has been extensively studied and widely used in various technological applications. However, most previous studies and applications were based on the bulk material or the conventional [001]-orientated films. There are few studies on PbTiO₃ films grown along other crystalline axes. In this study, a first-principles calculation was performed to compute the polarization of PbTiO₃ films strained by SrTiO₃ and LaAlO₃ substrates. Our results show that the polarization of PbTiO₃ films strongly depends on the growth orientation as well as the monoclinic angles. Further, it is suggested that the ferroelectricity of PbTiO₃ mainly depends on the tetragonality of the lattice, instead of the simple strain.     

First-principles study of electronic structure and magnetic properties of SrTi1−xMxO3 (M= Cr,Mn, Fe,Co, or Ni)

We used first-principles calculations to conduct a comparative study of the structure and the electronic and magnetic properties of SrTiO₃ doped with a transition metal (TM), namely, Cr, Mn, Fe, Co, or Ni. The calculated formation energies indicate that compared with Sr, Ti can be substituted more easily by the TM ions. The band structures show that SrTi_0.875Cr_0.125O₃ and SrTi_0.875Co_0.125O₃ are half metals, SrTi_0.875Fe_0.125O₃ is a metal, and SrTi_0.875Mn_0.125O₃ is a semiconductor. The 3d TM-doped SrTiO₃ exhibits various magnetic properties, ranging from ferromagnetism (Cr-, Fe-, and Co-doped SrTiO₃) to antiferromagnetism (Mn-doped SrTiO₃) and nonmagnetism (Ni-doped SrTiO₃). The total magnetic moments are 4.0_μB, 6.23_μB, and 2.0_μB for SrTi_0.75Cr_0.25O₃, SrTi_0.75Fe_0.25O₃, and SrTi_0.75Co_0.25O₃, respectively. Room-temperature ferromagnetism can be expected in Cr-, Fe-, and Co-doped SrTiO₃, which agrees with the experimental observations. The electronic structure calculations show that the spin polarizations of the 3d states of the TM atoms are responsible for the ferromagnetism in these compounds. The magnetism of TM-doped SrTiO₃ is explained by the hybridization between the TM-3d states and the O-2p states.     

LaTiO3(110)薄膜分子束外延生长的精确控制和表面截止层的研究

LaTiO₃ 是一种典型的强关联电子材料, 其(110) 薄膜为通过晶格对称性、应变等的设计调控外延结构的物理性质提供了新的机会. 本文研究了SrTiO₃(110) 衬底表面金属La 和Ti 沉积所引起的微观结构变化, 进而利用电子衍射信号对分子束外延薄膜生长表面阳离子浓度的灵敏响应, 发展了原位、实时、精确控制金属蒸发源沉积速率的方法, 实现了高质量LaTiO₃(110) 薄膜的生长和对阳离子化学配比的精确控制. 由于LaTiO₃中Ti³⁺ 3d 电子的库仑排斥作用, 氧原子层截止的(110) 表面更容易实现极性补偿, 因此生长得到的薄膜表面暴露出单一类型的氧截止面.     

TEM investigation of YBa2Cu3O7 thin films on SrTiO3 bicrystals

YBa₂Cu₃O₇ films in c-axis orientation on bicrystalline SrTiO₃ substrates are investigated by TEM. The films and the substrates are examined in cross-section and in plane view. The grain boundary of the bicrystal substrate contains (110) faceted voids, but is otherwise straight on a nanometer scale. Contrary to this, the film grain boundary is not straight grain boundary can be up to 100 nm for a 100 nm thick film. The deviation from the intended position of the YBCO grain boundary can already occur at the film/substrate interface where it can be as much as ±50 nm.     

杂质S对Fe/Al_2O_3界面结合影响的第一性原理研究

采用基于密度泛函理论的第一性原理平面波赝势方法,研究了杂质S对Fe/Al_2O_3界面结合的影响.计算结果表明:S在界面上Fe3原子处的界面偏析能最小,因此S易于向Fe3原子处偏析.Fe/Al_2O_3界面的结合主要受界面两侧Fe和O原子间相互作用控制.态密度、键重叠布居数和电子密度的计算结果均表明:S在界面处的偏析减弱了界面处Fe原子和O原子之间的相互作用,而且S的存在会引起Fe和O原子之间较强的静电排斥,这些导致了界面结合力的下降.研究结果可以使我们深入理解S在Fe-Cr-Al合金界面处的偏析造成氧化膜与合金基体结合减弱及氧化膜在S偏聚处剥离的机理.     

Energy Spectra,g Factors and Their Pressure—Induced and ／or Thermal Shifts of SrTiO3：Cr^3＋ and SrTiO3：Mn^4＋ I：energy Spectra and g Factors at Normal Pressure

With the strong-field scheme and cubic bases,the complete d^3 energy matrix in a tetragonally distorted cubic-field has been constructed.By diagonalizing this matrix,the energy spectra of SrTiO3:Cr^3 and SrTiO3:Mn^4 at normal pressure and various temperatures have been calculated.Correspondingly,the FORTRAN program calculating the g factor of the ground state has been worked out.By using the program and the wavefunction obtained from diagonalizing the complete energy matrix,the g factors of the ground state of SrTiO3:Cr^3 and SrTiO3:Mn^4 at normal pressure and room temperature have been evaluated.The calculated results are in good agreement with the optical-spectral and EPR experimental data.The comparison and analysis of the results of two crystals have been made.It is demonstrated that the covalency of the bonding between Mn^4 and ligands(O^2-) in SrTiO3:Mn^4 is stronger than the one of the bonding between Cr^3 and ligands(O^2-)in SrTiO3:Cr^3 .It is shown that the obtained wavefunctions and values of parameters are reasonable.     

Gate tunable Rashba spin-orbit coupling at CaZrO3/SrTiO3 heterointerface

High mobility quasi two-dimensional electron gas (2DEG) found at the CaZrO₃/SrTiO₃ nonpolar heterointerface is attractive and provides a platform for the development of functional devices and nanoelectronics. Here we report that the carrier density and mobility at low temperature can be tuned by gate voltage at the CaZrO₃/SrTiO₃ interface. Furthermore, the magnitude of Rashba spin-orbit interaction can be modulated and increases with the gate voltage. Remarkably, the diffusion constant and the spin-orbit relaxation time can be strongly tuned by gate voltage. The diffusion constant increases by a factor of ～ 19.98 and the relaxation time is reduced by a factor of over three orders of magnitude while the gate voltage is swept from -50 V to 100 V. These findings not only lay a foundation for further understanding the underlying mechanism of Rashba spin-orbit coupling, but also have great significance in developing various oxide functional devices.