Temperature features of the EPR spectrum of GdMnO3: Single crystal and thin film GdMnO3/LaAlO3

Electron paramagnetic resonance (EPR) spectra of GdMnO₃ single crystal and GdMnO₃/LaAlO₃ thin film are measured at Q-band frequency in the temperature range of 4.2 to 300 K. The temperature dependence of parameters of the spin Hamiltonian corresponding to the monoclinic symmetry of such paramagnetic centers as Gd³⁺ ions in the GdMnO₃/LaAlO₃ film is determined.     

Electron paramagnetic resonance studies of GdMnO3 single crystal and thin film deposited onto a LaAlO3 substrate

Electronic paramagnetic resonance (EPR) spectra of a GdMnO₃ single crystal and GdMnO₃/LaAlO₃ thin film have been measured at X- and Q-band frequencies in the temperature range from 4.2 to 300 K. It is found that the EPR spectrum of a GdMnO₃ single crystal consists of only one broad exchange-narrowed line. Unusual magnetism is observed at the interface between the GdMnO₃ thin film and LaAlO₃ substrate, where it is possible to see the fine structure of the EPR spectrum for a Gd³⁺ ion. The parameters characterizing the fine structure related to the Gd³⁺ ion in the GdMnO₃ film deposited onto the LaAlO₃ substrate are determined.     

Proton radiation damage in SrTiO3 thin film by computer simulation

Perovskite ferroelectrics (FEs) have high endurance to radiation. Strontium titanate (STO) (SrTiO₃) is a kind of perovskite FE with a large dielectric constant, which has attracted a good deal of attention due to its excellent dielectric, photoelectric and optical properties. The proton radiation damage in STO thin films is investigated by computer simulations in this work. The threshold displacement energy is an important input parameter for Monte Carlo simulation based on a binary collision approximation model, so we first use molecular dynamics to calculate the averaged threshold displacement energy of Sr, O and Ti atom. The calculated values are 67, 50 and 136 eV, which are obviously larger than default value (25 eV) in the Stopping and Range of Ions in Matter (SRIM) code. The results of the SRIM simulation demonstrate the dependency of vacancy number and position distribution on the proton's energy and the angle of incidence.     

非均匀基底上三维薄膜生长的模拟研究

考虑原子在基底表面的扩散、沿岛周界的扩散和不同层间的扩散以及非均匀基底上表面吸附能分布的各向异性，建立起非均匀基底表面上原子扩散和三维薄膜生长的动力学蒙特卡罗模型.模拟得到在不同生长条件下出现的层状生长、岛状生长和混合生长三种生长模式和相应的多层薄膜生长形貌图.通过统计三维薄膜中原子在各层的分布，计算薄膜的表面粗糙度，得到薄膜生长模式与生长条件之间的关系. 关键词： 薄膜生长 非均匀基底 动力学蒙特卡罗模拟     

Magnetic characterization of Bi2FeMnO6 film grown on (100) SrTiO3 substrate

Single phase Bi₂FeMnO₆ films on (100) SrTiO₃ substrate were fabricated using a pulsed laser deposition method through optimization of the preparation conditions. The magnetic moment is 0.30μ_B at 5 K in the magnetic field of 1 T, indicating that B site cations of Fe and Mn are disordered in the sample. The zero‐field‐cooling (ZFC) and field‐cooling (FC) magnetization curves measured from 2 K to 400 K coincide at 360 K. This is consistent with the observation that hysteresis disappears at 360 K, revealing the antiferromagnetic transition at this temperature. A spin‐glass‐like behaviour was observed at low temperature (～100 K) with a cusp of 25 K. Mn shows multiple valence states in the film. It is possibly because Mn²⁺ and Mn⁴⁺ could decrease the Jahn–Teller effect from Mn³⁺ in the film which results in less lattice distortion. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Ultrawide frequency linewidth of the permeability spectra of FeCoN thin film sputtered on the flexible substrate

Analysis shows that it is possible to make use of dispersed magnetic ripple fields to obtain a wide frequency linewidth of permeability spectra of soft magnetic thin films. As-sputtered FeCoN thin film sputtered on flexible Kapton substrate is studied as an example. It has ultrawide frequency linewidths of its resonance peaks in the permeability spectra, compared to its counterpart deposited on Si substrate. The frequency linewidth of FeCoN on Kapton substrate decreases with external magnetic field, showing a different field dependence from that of FeCoN on Si substrate. The ultrawide frequency linewidth and its decrease with external magnetic field are ascribed to the dispersed magnetic ripple fields caused by the flexible substrate. This work shows that the flexible substrate is effective in obtaining a wide frequency linewidth of the permeability spectra of soft magnetic thin films.     

Tensile strain induced changes in the optical spectra of SrTiO3 epitaxial thin films

Effect of biaxial tensile strains on optical function and band edge transitions of ultra thin epitaxial films was studied using as an example a 13 nm thick SrTiO₃ films deposited on KTaO₃ (100) single-crystal substrates. Optical functions in the 200–1200 nm spectral range were determined by spectroscopic ellipsometry technique. It was found that tensile strains result in a shift of the low energy band gap optical transitions to higher energies and decrease the refractive index in the visible region. Comparison of the optical spectra for strained SrTiO₃ films and for homoepitaxial strain-free SrTiO₃: Cr (0.01 at %) films deposited on SrTiO₃ (100) single crystalline substrates showed that this “blue” shift of the band gap could not be related to technological imperfections or to reduced thickness. The observed effect is connected with changes in the lowest conduction and in the top valence bands that are due to increase of the in-plane lattice constant and/or onset of the polar phase in the tensile strain-induced ultra-thin epitaxial SrTiO₃ films.     

Energy storage properties of antiferroelectric 0.92NaNbO3-0.08SrZrO3 film on (001)SrTiO3 substrate

The present study demonstrates the fabrication of an antiferroelectric 0.92NaNbO₃-0.08SrZrO₃ film deposited on a SrRuO₃ coated (001)SrTiO₃ single crystal substrate by pulsed laser deposition. In the 0.92NaNbO₃-0.08SrZrO₃ film, the domain with its c-axis aligned with the out-of-plane direction contributed to the stabilization of an antiferroelectric phase under the high electric field. The film had an energy storage density of 2.9 J cm⁻³ and storage efficiency of 67% at room temperature, which kept at 2.5 J cm⁻³ and 50% at high temperature of 150 °C.     

Synthesis and electrical transport of SrHfO3 thin films grown on a SrTiO3 (001) substrate using a pulsed laser deposition

We report the deposition of epitaxial SrHfO₃ thin films on a SrTiO₃ (001) substrate in different substrate temperatures by using a pulsed laser deposition (PLD) method. We carried out X-ray diffraction (XRD), X-ray reflectivity (XRR), reciprocal space mapping (RSM), atomic force microscopy (AFM), resistivity, and Hall measurements to examine the crystallinity, morphology and electrical properties of these films. All films showed smooth and uniform morphology with small root mean square (RMS) roughness. While the SrHfO₃ sample grown at 750 °C is metallic, the films deposited at 600 °C, 650 °C, and 700 °C show an upturn at low temperatures. The temperature dependence of the metallic parts was analyzed based on the parallel resistor model that includes resistivity saturation. On the other hand, the low-temperature upturn was found to be well described by a weak localization mechanism. We also observed the possible emergence of non-Fermi liquid behavior when the upturn disappeared. All SrHfO₃ films have p-type charge carriers.     

SrTiO3薄膜氧缺陷的第一性原理研究

在广义梯度近似(GGA)下,利用超软赝势对真空条件下SrTiO3超晶胞的体系能量、原子间电子云重叠布局数和电子态密度等进行了自恰计算.结果显示,对有氧缺陷的超晶胞优化后,晶格参数的几何平均值增大了2.711%,这表明在高温条件下外延生长STO薄膜时,产生了氧缺陷,并且氧空位易处于薄膜表层;另外,表层氧缺陷使表层Ti原子明显的发生偏心位移,两个Ti原子的核间距由0.3905 nm增大至0.4234 nm,b轴上的氧原子则向中心靠近了0.0108 nm、并沿c轴方向上突了0.0027 nm,使STO晶体产生自发极化,氧缺陷还使STO的电子态密度的能隙增宽了1.75 eV,达到2.48 eV,从而使STO晶体由顺电相转向铁电相.     

Phenomenological description of thin SrTiO3 films

The constants of the phenomenological potential of SrTiO₃ are calculated allowing for recent experimental data. The α₁₁, α₁₂, and t ₄₄ constants are refined by more than one order of magnitude as compared to the earlier values. The T-P phase diagrams for the case of the uniaxial [001] and [110] loading are calculated. The temperature vs. misfit-strain phase diagram for a thin SrTiO₃ film is constructed, in which pure ferroelectric phases exist at low temperatures.

     

A computer simulation of an amorphous thin film on a crystalline substrate

We employ the Monte Carlo simulation method of classical statistical mechanics to study the structure and energetics of the crystal/amorphous interface. The interface is found to be approximately four atomic layers thick and provides good bonding between the amorphous and crystalline phases.     

Evaporation of a thin film coated on a substrate induced by a pulsed laser

The two-dimensional Laplace integral transform technique has been applied to get the spatial and temporal temperature distributions in both the molten layer thickness of a thin film coated on a substrate, the still solid part of the thin film of the target and the temperature distribution in the substrate. Also a formula for the time dependence of the evaporated part of the thin film of the target as well as the molten layer thickness of the thin film were obtained. Calculations of the obtained relations were carried out during the irradiation with a pulsed laser. The derivation has taken into account the temperature-dependent absorption coefficient of the irradiated surface and the chemical reaction in the vapor of the thin film. As an illustrative example, computations were carried out on an aluminum thin film coated on a glass substrate.     

CsCu2I3薄膜的制备及其吸收谱的研究

本文介绍了用热蒸发技术制备ＣｓＣｕ２Ｉ３薄膜的方法，根据ＣｓＣｕ２Ｉ３的低温吸收谱计算出其激子参数；谱分析表明，ＣｓＣｕ２Ｉ３的电子和激子激发定域在ＣｕＩ４＾２－组成的双链结构之中是导致其光谱复杂性的主要原因。     

Local ferroelectricity in SrTiO3 thin films

The temperature-dependent polarization of SrTiO3 thin films is investigated using confocal scanning optical microscopy. A homogeneous out-of-plane and an inhomogeneous in-plane ferroelectric phase are identified from images of the linear electro-optic response. Both hysteretic and nonhysteretic behavior are observed under a dc bias field. Unlike classical transitions in bulk ferroelectrics, local ferroelectricity is observed at temperatures far above the dielectric permittivity maximum. The results demonstrate the utility of local probe experiments in understanding inhomogeneous ferroelectrics.     

The third-order optical nonlinearity of the stainless steel doped SrTiO_3 thin film grown by L-MBE

Stainless steel-doped SrTiO3 thin films were fabricated by laser molecular beam epitaxy (L-MBE). Nonlinear optical property of the thin film was measured by the single beam Z-scan technique at the wavelength of 532 nm. Two two-phonon absorption coefficient and nonlinear refractive index were determined to be 9.37 x 10-7 m/W and 1.55 x 10-6 esu, respectively. The merit figure T was calculated to be 1.8, satisfying condition T < 1 for an optical switch. The thin film has a very promising prospect for the applications in optical device.     

Buckling of a stiff thin film on a compliant substrate under anisotropic biaxial prestrain

The structure of stretchable electronics is based on the buckling of a thin film on a compliant substrate. Under anisotropic biaxial prestrains, this structure may buckle into several patterns, including cylindrical, checkerboard, and undulating patterns. The displacement and energy of each pattern are deduced analytically. By comparing their minimum potential energies, the critical buckling condition of each pattern is determined. After secondary bifurcation, the checkerboard pattern occurs just above the critical prestrains, but the undulating pattern dominates other regions. The buckling amplitude and wavenumber of the undulating pattern are shown under biaxial prestrains. Even if the structure is under equi-biaxial prestrains, it may buckle into an asymmetric undulating pattern.     

EPR in SrTiO3: Dynamical or dirt effect?

The inhomogeneous broadening of the EPR line due to imperfections is shown to have a critical anomaly in the vicinity of structural phase transitions. On the basis of the result, conclusions about the nature and the width of the central peak are drawn and a new experimental test is proposed to decide between the different explanations of the central peak.