Observation of room temperature photoluminescence in proton irradiated SrTiO3 single crystal

We have irradiated SrTiO₃ single crystal with 3 MeV-proton (H⁺) beam and found that blue -, green - and infrared - frequency photoluminescence (PL) are induced simultaneously at room temperature. TEM and EELS analyses show that an oxygen-deficient amorphous layer is formed at the crystal surface by the proton irradiation. Possible origin of the PL-effect is discussed.     

Evidence of the primary-color photoluminescence in ion (H,H,C) irradiated and thermal annealed SrTiO3

We have measured photoluminescence (PL) spectrum of (1) thermal-annealed SrTiO₃/Si thin film and undoped SrTiO₃ single crystal; (2) SrTiO₃ single crystal irradiated by high energy (3 MeV) proton, deuterium, and He ion beams and (3) SrTiO₃ single crystal irradiated by low energy (60 keV) H⁺ and C⁻ ions. Two PL emissions are induced in (1) and (2) at visible frequencies 3 and 2.45 eV, while another PL peak is induced at 2 eV in (3). When compared with our previous PL experiments on high-temperature annealed SrTiO₃/SiO₂/Si thin film and 3 MeV proton (H⁺) irradiated STO single crystal, these results confirm that the three PL emissions with blue (3 eV), green (2.45 eV), and red-orange (2 eV) frequencies originate indeed from SrTiO₃. These primary-color PL effect induced at room-temperature makes STO a strong candidate material for future oxide-based optoelectronic application.     

Blue and infrared cathodoluminescence induced by carbon-irradiation in SrTiO3 single crystal

We show that blue-CL can be induced in SrTiO₃ single crystal at room temperature by irradiating it with 60 KeV carbon ion (C⁻) beam. An infrared CL-emission is induced simultaneously. Transmission electron microscopy (TEM) measurement exhibits an 200 nm thick surface layer formed by the C⁻ irradiation. We show that the emitting region can be patterned into any desired shape by fabricating the STO surface using Pt-based micro-lithography technique.     

Large enhancement of photoluminescence in SrTiO3:Pr powders by fluorhydric acid treatment

We have investigated the effect of fluorhydric acid (HF) treatment on the photoluminescence (PL) properties of SrTiO₃:Pr³⁺ powders prepared by sol-gel method. The red emission intensity increased significantly up to 18 times when the powders were subjected into a water-diluted 5% HF solution for 10 min. The origin of the PL enhancement was ascribed to the increase of oxygen vacancies in HF-treated SrTiO₃:Pr³⁺ powders. This study also manifested that HF etching is more effective to improve the red PL intensity than vacuum-annealing for the sol-gel made SrTiO₃:Pr³⁺ powders.     

Growth and photoluminescence properties of inclined ZnO and ZnCoO thin films on SrTiO_3（110） substrates

ZnO thin film growth prefers different orientations on the etched and unetched SrTiO 3（STO）（110） substrates.Inclined ZnO and cobalt-doped ZnO（ZnCoO） thin films are grown on unetched STO（110） substrates using oxygen plasma assisted molecular beam epitaxy,with the c-axis 42 inclined from the normal STO（110） surface.The growth geometries are ZnCoO[100]//STO[110] and ZnCoO[111]//STO[001].The low temperature photoluminescence spectra of the inclined ZnO and ZnCoO films are dominated by D 0 X emissions associated with A 0 X emissions,and the characteristic emissions for the 2 E（2G）→ 4A2（4F） transition of Co 2＋ dopants and the relevant phonon-participated emissions are observed in the ZnCoO film,indicating the incorporation of Co 2＋ ions at the lattice positions of the Zn 2＋ ions.The c-axis inclined ZnCoO film shows ferromagnetic properties at room temperature.     

金属有机分解法制备的SrTiO3薄膜的光学特性

采用金属有机分解法（MOD）在石英衬底上沉积了SrTiO3薄膜。所制备的薄膜是晶格常数为a=b=c=3.90?的多晶结构。通过测量190—1100nm波段内的透射光谱，采用包络方法计算了薄膜的光学常数（折射率n和消光系数k）。结果表明，采用MOD方法制备的薄膜的折射率大于采用射频磁控溅射、溶胶—凝胶和化学气相沉积方法制备的薄膜的折射率；薄膜的折射率色散关系满足单振子模型，其中振子强度S0为0.88′1014m-2，振子能量E0为6.40eV；薄膜的禁带宽度为3.68eV。     

Combinatorial discovery of anomalous substrate effect on the photochemical properties of transition metal-doped epitaxial SrTiO3 heterostructures

Epitaxial Sr(V_xCr_yTi_1−x−y)O₃ (0≤x+y≤0.05) ternary composition spreads were grown on two different single crystal substrates, LaAlO₃ and Nb-doped SrTiO₃, by use of combinatorial laser molecular beam epitaxy with a specially patterned slide masking plate. The photocatalytic activity on the composition spreads was evaluated by the photo-reduction of Ag⁺ in an AgNO₃ aqueous solution to deposit Ag metal on the spreads. The V-doping effect was found to depend greatly on the substrate: the photodeposition of Ag was much enhanced in the composition region of SrV_0.05Ti_0.95O₃ only on the Nb-doped SrTiO₃, but not on the LaAlO₃ and non-doped SrTiO₃.     

First-principle study of strain-driven phase transition in incipient ferroelectric SrTiO3

First-principle calculations were carried out to investigate the epitaxial strain dependence of the structural stability and related properties of SrTiO₃. The P4mm-to-P4/mmm-to-Amm2 phase transitions in SrTiO₃ with the epitaxial strain changing from compressive to expansive have been identified by analysis of the soft-mode eigendisplacement. The zero-temperature critical strains for the P4mm-to-P4/mmm and P4/mmm-to-Amm2 phase transitions are −0.72% and 0.83%, respectively, which is consistent with the previous predictions based on the phenomenological thermodynamic model and the parameterized total-energy model. The influences of the epitaxial strain on the dielectric tensor and spontaneous polarization along the phase transition path are discussed in terms of charge transfer. Further investigations on the vibration modes show unusual softening behaviors of the A₁ and B₂ modes in the Amm2 phase, which may be associated with the soft phonon modes away from Γ point and possibly result in other phase transitions unreported by any previous studies.     

Characterization of the Landau expansion equation for SrTiO3 under pressure

This work focuses on the characterization of the expansion of Landau's main equation for Pm3?m structures, which are transformed with symmetry subgroups, associated with M+3 and R+4 special points of the Brillouin zone, under hydrostatic pressure. This solution has been adapted to include the general influence of hydrostatic pressure and the evolution of the order parameter. We present a simple scheme in order to search systematically the ground state of all perovskite structures derivable from octahedral rotations under high pressure. We have applied this adaptation to SrTiO₃ perovskite. Results of the characterization of Landau′s equation for the cubic-tetragonal phase transition under pressure are discussed here.     

Y掺杂SrTiO3晶体材料的电子结构计算

采用基于第一性原理的密度泛函理论平面波超软赝势法, 研究了Y掺杂SrTiO₃体系的空间结构和电子结构性质, 得到了优化后体系的结构参数, 掺杂形成能, 能带结构和电子态密度. 对比掺杂浓度为0125, 025, 033时,Sr_1-xY_xTiO₃和SrTi_1-xY_xO₃的掺杂形成能,发现Y替代Sr能形成更稳定的结构. 对Sr_1-xY_xTiO₃（x=0, 0125, 025, 033） 的结构进行了优化,结果表明Y替代Sr后, 随着掺杂浓度增大, 体系的晶格常数逐渐减小, 稳定性逐渐增强. 对不同掺杂浓度的Sr_1-xY_xTiO₃能带结构的计算结果表明：纯净的SrTiO₃是绝缘体, 价带顶在R点, 导带底在Γ点, 费米能级处于价带顶; 掺杂Y后, 费米能级进入到导带底中, 体系呈金属性;掺杂浓度越大,费米能级进入导带的位置越深,禁带宽度也近似变宽. 关键词： 3')" href="#">SrTiO₃ 电子结构 掺杂 VASP     

Effect of polar distortion on electronic structures of (001) LaGaO3/SrTiO3 interface

First-principles calculations of electronic structures of (001) epitaxial LaGaO₃/SrTiO₃ heterostructures were performed in the framework of density functional theory. The effects of atomic relaxation on electronic characteristics of both n-type (LaO)⁺/(TiO₂)⁰ and p-type (GaO₂)⁻/(SrO)⁰ interfaces are investigated. It is found that the n-type interface remains metallic, whereas the p-type interface becomes insulating after atomic relaxation. Polar distortion in the LaGaO₃ layers associated with the atomic relaxation strongly screens the intrinsic electric field induced by periodically stacking (LaO)⁺ and (GaO₂)⁻ charged atomic layers on SrTiO₃ with charge neutral (001) atomic layers. This relieves the trend to a polar catastrophe and reduces the carrier charge density on the interface.     

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.     

Study on Mn-doped SrTiO3 with first principle calculation

The defect formation energies and electronic structures of Mn doped strontium titanate have been studied using CRYSTAL-09 code. The defect formation energies for Mn_Sr and Mn_Ti, under different chemical potential conditions, have been obtained to determine the way Mn prefers to occupy in the Mn doped SrTiO₃ crystal. From the electronic structures of Mn doped SrTiO₃, it is shown that Mn_Sr cannot change the band gap of SrTiO₃. However, Mn_Ti can effectively reduce the band gap of SrTiO₃ and improve the photocatalysis.     

Atomic and electronic structures of Mg-doped perfect SrTiO3 and crystals containing oxygen vacancies from first principles

The electronic properties of Mg-doped perfect SrTiO₃ and crystals containing oxygen vacancies systems are investigated by first principles calculation. Dopant formation energy results show that the Mg atoms preferentially enter the Sr site in SrTiO₃. Substitution of Ti by Mg brings some acceptor levels, which introduces the p-type conductivity of SrTiO₃. Creation of oxygen vacancies in SrTiO₃ introduces donor levels, which can contribute to the n-type conductivity. In SrTiO₃ containing oxygen vacancies system, a self-compensation effect will occur when Ti is substituted by Mg, and the system undergoes n-type to p-type transition.     

Morphology and growth modes of metal-oxides deposited on SrTiO3

Classical molecular dynamics simulations are used to examine the growth of SrO and TiO₂ thin films on SrTiO₃ (STO). In particular, the simulations consider the deposition of SrO and TiO₂ molecules at incident energies of 0.1, 0.5, and 1.0 eV/atom onto the (0 0 1) surface of STO. The role of surface termination layer (SrO vs. TiO₂) is analyzed. In the case of SrO deposition, smooth, ordered films are produced for all incident energies considered and for both surface terminations. By contrast, in the case of TiO₂ deposition, three-dimensional islands are formed under all conditions. These predictions are in good agreement with experimental data. Importantly, the simulations explain why these differing morphologies are produced for SrO and TiO₂ deposition.     

Improved photoluminescence and afterglow in CaTiO3:Pr with addition of nanosized SiO2

Enhancement of the ¹D₂-³H₄ red emission in CaTiO₃:Pr³⁺ with addition of nanosized SiO₂ fabricated by a solid state reaction method is reported. The dynamical processes for the improvement of red emission were systematically investigated using photoluminescence (PL) and PL excitation spectra, and diffused reflectance spectra as well as time decay patterns of PL and persistent afterglow. Higher efficiency of energy transfer from CaTiO₃ host to the activator Pr³⁺ due to the improvement of crystallinity by SiO₂ addition was discussed in comparison with that of the SiO₂ free sample. The enhancement of persistent afterglow after the cessation of excitation in SiO₂ added CaTiO₃:Pr³⁺ was also analyzed by theoretically fitted results.     

钛酸锶纳米颗粒界面层特性的光谱学研究

利用拉曼光谱和紫外—可见光漫反射吸收光谱研究了颗粒度为10—80 nm的钛酸锶纳米颗粒的界面层特性.研究发现,当样品颗粒度从80 nm减小至10 nm时,一阶极化TO₂模的拉曼强度有显著增加,表明在样品边界层中存在由增强表面缺陷偶极子造成的微极化区.相反,一阶非极化TO₃模的拉曼强度随颗粒度的减小而降低.同时,发现TO₂和TO₃模的频率随着颗粒度的减小而发生软化,表明Ti—O 键的键长随颗粒度减小而增加,与XRD观察到 关键词： 纳米钛酸锶颗粒 微极化区 晶格扩张 表面缺陷态     

Preparation and luminescence properties of SrTiO3:Pr,Al phosphor from the glycolate method

Spherical SrTiO₃:Pr³⁺,Al³⁺ phosphor with high crystallinity and uniform particle size distribution was formed from the glycolate precursor. The glycolate precursor was obtained by heating the mixed solution of metallic nitrates and titanium oxychloride in ethylene glycol up to 200 °C. The thermal decomposition of the glycolate precursor proceeded through three major stages, i.e., (i) evolution of glycols (∼200 °C), (ii) decomposition of glycolate precursor, and (iii) decomposition of strontium carbonate and crystallization of SrTiO₃:Pr³⁺,Al³⁺ phosphor.SrTiO₃:Pr³⁺,Al³⁺ phosphor exhibited a strong red emission, peaking at about 617 nm. SrTiO₃:Pr³⁺,Al³⁺ phosphor obtained from the glycolate complex has higher luminescent properties than the conventional solid state reaction and the Pechini method in terms of photoluminescence (PL) and cathodoluminescence (CL). High crystallinity, low residual carbon content and small grain size with uniform shape would enhance the luminescence intensity of phosphor by the glycolate method due to high surface area per unit volume and low organic content compared with the Pechini method. Also, Al³⁺ ion is more effective than Ga³⁺ ion to enhance PL intensity of SrTiO₃:Pr³⁺,Al³⁺ phosphor because of smaller Al³⁺ ion radius. Therefore, the glycolate method has been demonstrated to be a convenient and unique process for the production of muticomponent oxide with smaller grain size and higher crystallinity compared with the conventional mixed oxide reaction and the polymer precursor method.     

LaCaMnO3 thin film laser energy/power meter

A prototype laser energy/power meter was designed based on the anisotropic Seebeck effect of LaCaMnO₃ thin film grown on vicinal cut LaAlO₃ substrate. The optical response of this device to the pulsed laser and the chopped CW laser was measured from infrared to ultraviolet. The peak voltage of the measured signal shows a good linear relation to the laser energy and power in the measured range. It was shown that at 1064 nm wavelength, this prototype device demonstrates higher sensitivity than that of commercial device.     

Spectroscopic and photoluminescence properties of Ho doped Ba0.65Sr0.35TiO3 nanocrystals

Ho³⁺ doped Ba_0.65Sr_0.35TiO₃ (BST) nanocrystals was prepared by sol-gel method. The structural and morphological properties of the nanocrystals were characterized using X-ray diffraction (XRD) and transmission electron microscopy (TEM). The absorption spectrum, photoluminescence spectrum and fluorescence time decay curve were measured at room temperature. Based on the Judd-Ofelt (J-O) theory, the J-O intensity parameters Ω_t (t=2, 4, 6) of Ho³⁺ doped BST nanocrystals were calculated to be 0.67×10⁻²⁰ cm², 1.11×10⁻²⁰ cm² and 1.09×10⁻²⁰ cm², respectively. The emission probabilities, radiative lifetimes and branching ratios of the different Ho³⁺ transitions were also determined. The emission cross sections of the important intermanifold transitions ⁵F₄,⁵S₂→⁵I₈, ⁵F₅→⁵I₈ and ⁵F₄→⁵I₇ have been calculated from the luminescence spectrum. The room temperature fluorescence lifetime of the ⁵S₂→⁵I₈ transition for Ho³⁺ in BST nanocrystals was measured and the radiative quantum efficiency was estimated to be 61.9%.