相关论文: Metastability effects in strained and stressed SrT…
Using density-functional-theory (DFT) calculations with the HSE06 hybrid functional, we accurately evaluate the critical thickness of LaAlO3 film for the intrinsic doping in LaAlO3/SrTiO3 (LAO/STO) heterstructures. The calculated critical…
Heteroepitaxial growth of BaSnO$_3$ (BSO) and Ba$_{1-x}$La$_x$SnO$_3$ (x = 7 %) (LBSO) thin films on different perovskite single crystal (SrTiO$_3$ (001) and SmScO$_3$ (110)) substrates has been achieved by Pulsed Laser Deposition (PLD)…
Interface effects on the ferroelectric behavior of PbTiO$_3$ ultrathin films deposited on SrTiO$_3$ substrate are investigated using an interatomic potential approach with parameters fitted to first-principles calculations. We find that the…
The recent emergence of topological insulators (TI) has spurred intensive efforts to grow TI thin films on various substrates. However, little is known about how robust the topological surface states (TSS) are against disorders and other…
We perform first-principles density functional calculations to explore the role of substrate proximity effects on the octahedral rotation patterns in perovskite oxide superlattices. With cubic perovskite SrFeO$_3$ as our model film and…
Highly oriented polycrystalline SSMO thin films deposited on single crystal substrates by ultrasonic nebulized spray pyrolysis have been studied. The film on LAO is under compressive strain while LSAT and STO are under tensile strain. The…
BiFeO3 thin films with various thicknesses were grown epitaxially on (001) LaSrAlO4 single crystal substrates using pulsed laser deposition. High resolution x-ray diffraction measurements revealed that a tetragonal-like phase with c-lattice…
We have investigated heteroepitaxial films of Sm-doped BiFeO3 with a Sm-concentration near a morphotropic phase boundary. Our high-resolution synchrotron X-ray diffraction, carried out in a temperature range of 25C to 700C, reveals…
Elastic strain is potentially an important approach in tuning the properties of the improperly multiferroic hexagonal ferrites, the details of which have however been elusive due to the experimental difficulties. Employing the method of…
The structure and microstrucutre of fully-strained BiCrO3 thin films have been investigated by X-rays diffraction and transmission electron microscopy, at room temperature. Interestingly, three structural variants are simultaneously…
We report a first-principles study of (BaTiO${_3}$)$_m$/(BaO)$_n$ superlattices for a wide range of periodicities $m/n$. We show that such a system develops a polar zone-center instability for sufficiently large \textit{m}/\textit{n} ratio,…
We present an extensive study on the effect of substrate orientation, strain, stoichiometry and defects on spin ice physics in Ho$_2$Ti$_2$O$_7$ thin films grown onto yttria-stabilized-zirconia substrates. We find that growth in different…
Strained coherent heteroepitaxy of III-V semiconductor films such as In$_x$Ga$_{1-x}$As/GaAs has potential for electronic and optoelectronic applications such as high density logic, quantum computing architectures, laser diodes, and other…
Reversible topotactic transitions between oxygen-vacancy-ordered structures in transition metal oxides provide a promising strategy for active manipulation of material properties. While transformations between various oxygen-deficient…
It has been well established that both in bulk at ambient pressure and for films under modest strains, cubic SrCoO$_{3-\delta}$ ($\delta < 0.2$) is a ferromagnetic metal. Recent theoretical work, however, indicates that a magnetic phase…
The effect of high tensile strain and low dimensionality on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ substrates, are experimentally studied and theoretically analyzed. By means of…
The authors investigated the structure and properties of GdBaCo$_{2}$O$_{5.5+\delta}$ thin films epitaxially grown on SrTiO$_{3}$ (001) single crystal substrates. The thin films were found to have a notable remnant magnetization above room…
Doped HfO2 and HfO2-ZrO2 compounds are gaining significant interest thanks to their ferroelectric properties in ultrathin films. Here, we show that ZrO2 could be a playground for doping and strain engineering to increase the thickness in…
We discuss instabilities of fluid films of nanoscale thickness, with a particular focus on films where the destabilising mechanism allows for linear instability, metastability, and absolute stability. Our study is motivated by nematic…
Motivated by an experimental report of iridate superlattices, we performed first-principle electronic structure calculations for SrIrO$_3$/SrTiO$_3$. Heterostructuring causes SrIrO$_3$ to become Sr$_2$IrO$_4$-like, and the system has the…