Stable pH sensitivity of LaAlO3/SrTiO3 interfacial electronic gas

Probing pH value is essential for many applications. The request of developing stable and highly sensitive pH sensor with small size are increased recently, this is a challenge to the traditional glass pH sensors. This work investigated the pH sensing performance of the novel two-dimensional electronic gas (2DEG) at the LaAlO₃/SrTiO₃ heterostructure interface discovered recently. The experimental results demonstrated that the devices host excellent sensing ability to the pH value of aqueous solutions. Quite stable output current is realized for a given pH value, and the output current is linearly dependent on pH value as required by sensor applications. This work would prompt the application research of LaAlO₃/SrTiO₃ heterostructure and design of new generation of advanced pH sensors.     

LaAlO3/SrTiO3界面的电子结构及光学性质的第一性原理研究

采用基于密度泛函理论框架下的第一性原理平面波超软赝势方法,结合局域密度近似(LDA)研究了钙钛矿结构氧化物LaAlO3/SrTiO3界面的电子结构及光学性质.能带结构分析表明当形成(AlO2)-/(TiO2)0界面时其禁带宽度为1.888 eV,呈现绝缘体的性质,当形成(LaO)+/(SrO)0界面时其禁带宽度为0.021eV,呈现半导体或半金属性质.同时,对不同界面的光学性质也进行了研究,结果表明纯相的LaAlO3和SrTiO3的吸收系数、反射系数及能量损失谱强度明显高于由这两种单质形成不同界面的强度.     

LaAlO3/SrTiO3界面的电子结构及光学性质的第一性原理研究

采用基于密度泛函理论框架下的第一性原理平面波超软赝势方法,结合局域密度近似（LDA）研究了钙钛矿结构氧化物LaAlO3 /SrTiO3界面的电子结构及光学性质。能带结构分析表明当形成(AlO2)-/(TiO2)0界面时其禁带宽度为1.888 eV,呈现绝缘体的性质,当形成(LaO)+/(SrO)0界面时其禁带宽度为0.021 eV,呈现半导体或半金属性质。同时,对不同界面的光学性质也进行了研究,结果表明纯相的LaAlO3和SrTiO3的吸收系数、反射系数及能量损失谱强度明显高于由这两种单质形成不同界面的强度。     

Gate‐controlled metal–insulator transition in the LaAlO3/SrTiO3 system with sub‐critical LaAlO3 thickness

We studied the electrical conduction in the LaAlO₃/SrTiO₃ (LAO/STO) interface electron system with a sub‐critical LAO layer thickness of ～3.5 unit cells (uc). It was found that the true dividing point between metallic and insulating behaviour without gating lies near the LAO thickness of 3.5 uc. Our marginally metallic 3.5 uc sample showed a sharp transition to insulating state at temperatures which strongly depended on the applied negative back‐gate voltage. The superior gate‐controllability of the sample was attributed to its sheet carrier density which was an order of magnitude lower than those of conducting LAO/STO samples with 4 uc or more of LAO layers. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Tuning the electrons at the LaAlO_3/SrTiO_3 interface: From growth to beyond growth

Recently, the quasi-two-dimensional electron gas （q2DEG） confined at the interface between LaAlO3 and SrTiO3 has attracted significant attention. In this paper, we briefly review experimental methods that have been used to tune the carrier density and mobility of this q2DEG. These methods can be classified into two categories： growth-related tuning （i.e. substrate, growth temperature, oxygen pressure, post-annealing, LaAlO3 thickness, stoichiometry, and capping layers） and post-growth tuning （i.e. electrostatic field gating, conductive atomic force microscopy and surface adsorbates）. Taken together, these methods enable the broad tuning of the electronic properties of this interface.     

Stability and electronic structure studies of LaAlO_3/SrTiO_3 (110) heterostructures

The first-principles calculations are employed to investigate the stability, magnetic, and electrical properties of the oxide heterostructure of LaAlO3/SrTiO3(110). By comparing their interface energies, it is obtained that the buckled interface is more stable than the abrupt interface. This result is consistent with experimental observation. At the interface of LaAlO3/SrTiO3(110) heterostructure, the Ti–O octahedron distortions cause the Ti t2 gorbitals to split into the twofold degenerate dxz/dyz and nondegenerate dxy orbitals. The former has higher energy than the latter. The partly filled two-fold degenerate t2 gorbitals are the origin of two-dimensional electron gas, which is confined at the interface. Lattice mismatch between LaAlO3 and SrTiO3leads to ferroelectric-like lattice distortions at the interface, and this is the origin of spin-splitting of Ti 3d electrons. Hence the magnetism appears at the interface of LaAlO3/SrTiO3(110).     

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.     

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.     

迁移率对单层有机发光器件中电场与载流子分布的影响

有机发光器件的宏观特性与有机层中的电场和载流子浓度分布密切相关。建立的有机电致发光器件模型是由两个金属电极中间夹一层有机发光薄膜材料组成的单层器件,金属与有机发光层之间为欧姆接触。模型以载流子运动的扩散-漂移理论为基础,利用数值方法研究了有机发光层中双极载流子注入时的电势、电场、载流子浓度和复合密度分布。分析结果表明:当两种载流子的迁移率相同时,电场强度、载流子浓度、复合密度的分布呈对称形式。而当电子和空穴的迁移率μn和μp相差比较大时,高迁移率的载流子不仅仅分布在注入端附近而且还有一小部分能够传输到另一端,而低迁移率的载流子只分布在其注入端附近;当μn、μp的大小相差不大时,载流子传输情况就介于两者之间。当μn/μp的比值变化时,电场强度的极大值向载流子迁移率小的注入端偏移。     

Sign reversal of anisotropic magnetoresistance and anomalous thickness-dependent resistivity in Sr2CrWO6/SrTiO3 films

High-quality Sr₂CrWO₆ (SCWO) films have been grown on SrTiO₃ (STO) substrate by pulsed laser deposition under low oxygen pressure. With decrease of the film thickness, a drastic conductivity increase is observed. The Hall measurements show that the thicker the film, the lower the carrier density. An extrinsic mechanism of charge doping due to the dominance of oxygen vacancies at SCWO/STO interfaces is proposed. The distribution and gradient of carrier concentration in SCWO films are considered to be related to this phenomenon. Resistivity behavior observed in these films is found to follow the variable range hopping model. It is revealed that with increase of the film thickness, the extent of disorder in the lattice increases, which gives a clear evidence of disorder-induced localization charge carriers in these films. Magnetoresistance measurements show that there is a negative magnetoresistance in SCWO films, which is considered to be caused by the magnetic scattering of magnetic elements Cr³⁺ and W⁵⁺. In addition, a sign reversal of anisotropic magnetoresistance (AMR) in SCWO film is observed for the first time, when the temperature varies across a characteristic value, T_M. Magnetization—temperature measurements demonstrate that this AMR sign reversal is caused by the direction transition of easy axis of magnetization from the in-plane ferromagnetic order at T > T_M to the out-of-plane at T < T_M.     

Mg2+、Al3+离子增强SrTiO3:Pr3+荧光体发光性能的研究

采用溶胶凝胶法成功制备了SrTiO3:Pr3+、SrTiO3:Pr3+, Mg2+及SrTiO3:Pr3+,Al3+荧光粉.通过XRD、PL谱及第一性原理计算对样品的晶体结构、光谱特性及发光增强机制进行了研究.研究结果表明:共掺杂后,SrTiO3:Pr3+荧光粉为单一组成的SrTiO3立方相,主发射锋位于617 nm,对应于Pr3+离子的1D2→3H4跃迁发射.SrTiO3:Pr3+,Mg2+ 及SrTiO3:Pr3+, Al3+荧光粉的发光强度分别是SrTiO3:Pr3+荧光粉发光强度的7倍和2倍,但主要发光机制没有改变.Mulliken布局分析表明,Mg2+、Al3+离子的掺入使SrTiO3:Pr3+荧光粉中Ti-O及Pr-O键的化学键增强、键长变短,SrTiO3:Pr3+基质向Pr3+离子发光中心的能量传递效率提高,导致SrTiO3:Pr3+,Mg2+ 及SrTiO3:Pr3+,Al3+荧光粉的发光效率提高.     

LaAlO3: Cr3+低温常压下的能谱和顺磁 g 因子的统一解释

利用配位场理论,在强场方案下,建立了包括立方晶场、库仑相互作用、自旋-轨道耦合、低对称场的d³完全能量矩阵,对LaAlO₃：Cr³⁺在低温常压下的能谱进行了拟合,确定了相应的参量,得到了与实验值比较相符的能谱,并利用所得的波函数计算了LaAlO₃：Cr³⁺基态的 g 因子,与实验结果相吻合. 根据所得参量分析了Cr³⁺与配位体之间相互作用的特性.     

Effects of donor density and temperature on electron systems in AlGaN/AlN/GaN and AlGaN/GaN structures

It was reported by Shen et al that the two-dimensional electron gas (2DEG) in an AlGaN/AlN/GaN structure showed high density and improved mobility compared with an AlGaN/GaN structure, but the potential of the AlGaN/AlN/GaN structure needs further exploration. By the self-consistent solving of one-dimensional Schr\"{o}dinger--Poisson equations, theoretical investigation is carried out about the effects of donor density (0--1\times 10¹⁹cm^-3 and temperature (50--500K) on the electron systems in the AlGaN/AlN/GaN and AlGaN/GaN structures. It is found that in the former structure, since the effective \Delta E_c is larger, the efficiency with which the 2DEG absorbs the electrons originating from donor ionization is higher, the resistance to parallel conduction is stronger, and the deterioration of 2DEG mobility is slower as the donor density rises. When temperature rises, the three-dimensional properties of the whole electron system become prominent for both of the structures, but the stability of 2DEG is higher in the former structure, which is also ascribed to the larger effective \Delta E_c. The Capacitance--Voltage (C-V) carrier density profiles at different temperatures are measured for two Schottky diodes on the considered heterostructure samples separately, showing obviously different 2DEG densities. And the temperature-dependent tendency of the experimental curves agrees well with our calculations.     

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.     

Impedance-based interfacial analysis of the LaAlO3/SrTiO3 oxide heterostructure involving a 2-dimensional electron gas layer

The 2-dimensional electron gas (2DEG) at the LaAlO₃/SrTiO₃ heterointerface was analyzed using frequency-dependent impedance spectroscopy. The electrical conduction of 2DEG significantly influences the high-frequency impedance and induces dielectric amplification at low frequency regimes. The impedance responses obtained from the LaAlO₃/SrTiO₃ oxide was modeled using an equivalent circuit model. The frequency-dependent characterization used here does not necessitate the formation of ohmic contacts between the 2DEG layer and the adjacent electrodes. Through thermal bias-stress tests, the 2DEG conduction mechanism is proposed to partially originate from the oxygen vacancy-controlled defect concepts, indicating the controllability of 2DEG transport.     

晶格匹配InAlN/GaN和InAlN/AlN/GaN材料二维电子气输运特性研究

文章研究了InAlN/GaN和引入AlN界面插入层形成的InAlN/AlN/GaN材料的输运性质. 样品均在蓝宝石上以脉冲金属有机物化学气相淀积法生长,霍尔迁移率变温特性具有典型的二维电子气(2DEG)特征. 综合各种散射机理包括声学形变势散射、压电散射、极性光学声子散射、位错散射、合金无序散射和界面粗糙度散射,理论分析了温度对迁移率的影响,发现室温下两种材料中2DEG支配性的散射机理都是极性光学波散射和界面粗糙度散射;AlN插入层对InAlN/GaN材料迁移率的改善作用一方面是免除2DEG的合金无序散射,另外还显著改善异质界面,抑制了界面粗糙度散射. 考虑到2DEG密度也是影响其迁移率的重要因素,结合实验数据给出了晶格匹配InAlN/GaN和InAlN/AlN/GaN材料的2DEG迁移率随电子密度变化的理论上限. 关键词： InAlN/GaN 二维电子气 迁移率     

The ferroelectric field effect on the two-dimensional electron gas at LaAlO3/SrTiO3 (001) interface: Insights from first principle simulations

We perform first-principles calculations to explore the possibility of tuning the two-dimensional electron gas at the LaAlO₃/SrTiO₃ (001) interface through BaTiO₃ substrate. A metal-to-insulator transition is found at the interface as the polarization of BaTiO₃ reverses. Through the potential analysis of the LaAlO₃/SrTiO₃/BaTiO₃ superstructure, we find that the intrinsic electric field of LaAlO₃ is significantly suppressed as the polarization points away from the LaAlO₃/SrTiO₃ interface, while it is enhanced with the polarization pointing to the interface. The ferroelectric field control of the intrinsic electric field, and therefore the electronic reconstructions at the interface, originating from the screening of polarization charges, opens the way to the development of novel nanoscale electronic devices.     

Breakdown voltage analysis of Al0.25Ga0.75N/GaN high electron mobility transistors with partial silicon doping in the AlGaN layer

In this paper,two-dimensional electron gas（2DEG） regions in AlGaN/GaN high electron mobility transistors（HEMTs） are realized by doping partial silicon into the AlGaN layer for the first time.A new electric field peak is introduced along the interface between the AlGaN and GaN buffer by the electric field modulation effect due to partial silicon positive charge.The high electric field near the gate for the complete silicon doping structure is effectively decreased,which makes the surface electric field uniform.The high electric field peak near the drain results from the potential difference between the surface and the depletion regions.Simulated breakdown curves that are the same as the test results are obtained for the first time by introducing an acceptor-like trap into the N-type GaN buffer.The proposed structure with partial silicon doping is better than the structure with complete silicon doping and conventional structures with the electric field plate near the drain.The breakdown voltage is improved from 296 V for the conventional structure to 400 V for the proposed one resulting from the uniform surface electric field.