相关论文: Temperature-induced atomic-structure modifications…

In this work we investigate the dissociation of CO$_2$ on Cu(110) by performing density functional theory calculations using the vdW-DF2 exchange-correlation functional, with a potential energy surface parameterized using artificial neural…

Room-temperature and low-temperature (77 K) scanning tunneling spectroscopy (STS) and voltage-dependent scanning tunneling microscopy (STM) data are used to study the local electronic properties of the quasi-one-dimensional Si(557)-Au…

By means of high resolution neutron powder diffraction at low temperature we have characterized the structural details of $\rm La_{x}Sr_{2-x}FeMoO_6$ ($0\leq {\rm x}\leq 0.5$) and $\rm Ca_{x}Sr_{2-x}FeMoO_6$ ($0\leq {\rm x}\leq 0.6$) series…

Variable temperature scanning tunneling microscopy/spectroscopy studies on (110) oriented epitaxial thin films of La$_{0.350}$Pr$_{0.275}$Ca$_{0.375}$MnO$_3$ are reported in the temperature range of 77 to 340 K. The films, grown on lattice…

Synchrotron X-ray diffraction (XRD) experiments were performed on the network compounds Ba1-xSrxAl2O4 at temperatures between 15 and 800 K. The ferroelectric phase of the parent BaAl2O4 is largely suppressed by the Sr-substitution and…

Combining a precise ab initio electron band structure calculation of the TiO2 rutile structure with the temperature evolution of the Ti mean-square displacements, we reproduce a puzzling temperature increase of the electric field gradient…

The temperature dependence of the pre-edge features in x-ray absorption spectroscopy is reviewed. Then, the temperature dependence of the pre-edge structure at the K-edge of titanium in rutile TiO2 is measured at low and room temperature.…

The ab-plane optical spectra of two single crystals of underdoped La_(2-x)Sr_xCuO_4 were investigated. The reflectivity of La_(1.87)Sr_(0.13)CuO_4 has been measured in the frequency range 30- 9,000 cm-1 (0.004 -- 1 eV) both parallel and…

We investigate the thermal properties of the $Y(4500)$ state within the framework of thermal QCD sum rules, assuming a $D_s \bar{D}_{s1}$ molecular configuration with $J^{PC}=1^{--}$. The analysis is performed at both zero and finite…

The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…

The temperature dependence of the linear thermal expansion coefficients (LTEC) of a single crystal of a-(BEDT-TTF)2NH4Hg(SCN)4 where BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene was studied by the method of precision capacitive…

In stellar environments nuclei appear at finite temperatures, becoming extremely hot in core-collapse supernovae and neutron star mergers. However, due to theoretical and computational complexity, most model calculations of nuclear…

A powder X-ray diffraction study, combined with the magnetic susceptibility and electric transport measurements, was performed on a series of LnCoO3 perovskites (Ln = Y, Dy, Gd, Sm, Nd, Pr and La) over a temperature range 100 - 1000 K. A…

We present calculations for the temperature-dependent electronic structure and magnetic properties of thin ferromagnetic EuO films. The treatment is based on a combination of a multiband-Kondo lattice model with first-principles TB-LMTO…

The formalism of electronic density-functional-theory, with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of U_{1-x} Ce_x O_2 mixtures. The computational approach makes use of a procedure which…

Neutron diffraction technique was used to study distribution of Co and Cr atoms over different lattice sites as well as lattice paramaters in sigma-phase Co100-xCrx compounds with x = 57.0, 62.7 and 65.8. From the diffractograms recorded in…

Magnetization measurements and time-of-flight neutron powder-diffraction studies on the high-temperature (300--980 K) magnetism and crystal structure (321--1200 K) of a pulverized YCrO$_3$ single crystal have been performed.…

Organic charge transfer salts exhibit thermal expansion anomalies similar to those found in other strongly correlated electron systems. The thermal expansion can be anisotropic and have a non-monotonic temperature dependence. We show how…

The prototypical phase change material GeTe shows an enigmatic phase transition at Tc ca. 650 K from rhombohedral (R3m) to cubic (Fm-3m) symmetry. While local probes see little change in bonding, in contrast, average structure probes imply…

The electrical and structural characteristics of 50 nm zinc oxide (ZnO) metal-semiconductor-metal (MSM) ultraviolet (UV) photodetectors subjected to proton irradiation at different temperatures are reported and compared. We irradiated the…