Related papers: Structural properties, defects and structural phas…
We investigate the crystal structure and the electronic properties of the trilayer nickelate La$_4$Ni$_3$O$_{10}$ by means of quantum mechanical calculations in the framework of the density functional theory. We find that, at low…
Powder X-ray diffraction experiments under pressure up to $\sim$10 GPa were performed on tetragonal CeFeSi-type $R$MnSi ($R$ = La, Ce, Pr, Nd). A structural phase transition was observed in CeMnSi at a critical pressure of $P_{\rm s}$…
Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests in the past few years for high-performance electronic and…
We report an ab initio molecular dynamics simulation study of several static and dynamic properties of the liquid 3d transition metals. The calculated static structure factors show qualitative agreement with the available experimental data,…
We report experimental studies of a series of BaFe$_2$S$_{3-x}$Se$_x$ ($0\leq x\leq3$) single crystals and powder specimens using x-ray diffraction, neutron diffraction, muon spin relaxation, and electrical transport measurements. A…
Ba(Fe$_{1/2}$Nb$_{1/2}$)O$_3$ (BFN) ceramics are considered to be promising for technological applications owing to their high dielectric constant over a wide range of temperatures. However, there exists considerable discrepancy over the…
Scanning transmission electron microscopy (STEM) is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric…
The new quaternary iron arsenide-fluoride SrFeAsF with the tetragonal ZrCuSiAs-type structure was synthesized and the crystal structure was determined by X-ray powder diffraction (P4/nmm, a = 399.30(1), c = 895.46(1) pm). SrFeAsF undergoes…
The association of scanning transmission electron microscopy (STEM) and the detection of a diffraction pattern at each probe position (so-called 4D-STEM) represents one of the most promising approaches to analyze structural properties of…
We demonstrate an atomic force microscopy based method for estimation of defect density by identification of threading dislocations on a non-flat surface resulting from metamorphic growth. The discussed technique can be applied as an…
Transmission electron microscopy (TEM) and scanning TEM (STEM) are indispensable tools for materials characterization. However, during a typical (S)TEM experiment, the sample is subject to a number of effects that can change its atomic…
We investigate atomic and electronic structures of the intriguing low temperature phase of IrTe2 using high-resolution scanning tunneling microscopy and spectroscopy. We confirm various stripe superstructures such as $\times$3, $\times$5,…
A new crystal growth technique for single-crystals of REFeAsO (RE = La, Ce, Pr, Nd, Sm, Gd, and Tb) using NaI/KI as flux is presented. Crystals with a size up to 300 $\mu$m were isolated for single-crystal X-ray diffraction measurements.…
We consider the behavior of classical and quantum oscillations in metals with complex Fermi surfaces near the directions of $\, {\bf B} \, $ corresponding to changes in the topological structure of the dynamical system describing the…
Measurements of magnetization, specific heat, electrical resistivity, Hall effect, and magnetoresistance on single crystalline samples of LaFeAsO grown in a NaAs flux are reported. While this material is known to be a semimetal, the…
The structural features of the charge ordering states in LuFe2O4 are characterized by in-situ cooling TEM observations from 300K down to 20K. Two distinctive structural modulations, a major q1= (1/3, 1/3, 2) and a weak q2=q1/10 + (0, 0,…
Neutron diffraction measurements of a high quality single crystal of CaFe2As2 are reported. A sharp transition was observed between the high temperature tetragonal and low temperature orthorhombic structures at TS = 172.5K (on cooling) and…
Defects in the atomic structure of crystalline materials may spawn electronic bound states, known as \emph{defect states}, which decay rapidly away from the defect. Simplified models of defect states typically assume the defect is…
The coherence of quantum dot qubits fabricated in semiconductors is often limited by charge noise from defects in gate dielectrics, which are material- and process-dependent. Characterizing these defects is an important step towards…
Raman scattering experiments have been carried out on single crystals of Nd$_{0.5}$Sr$_{0.5}$MnO$_3$ as a function of temperature in the range of 320-50 K, covering the paramagnetic insulator-ferromagnetc metal transition at 250 K and the…