Related papers: Studies of Vibrational Properties in Ga Stabilized…

Amorphous Fe-gluconate was studied by means of the X-ray diffraction and M\"ossbauer spectroscopy. Spectra measured in the temperature range between 78 and 295 K were analysed in terms of three doublets using a thin absorber approximation…

Extended X-ray absorption fine structure (EXAFS) spectra are sensitive to thermal disorder and are often used to probe local lattice dynamics. Variations in interatomic distances induced by atomic vibrations are described by the…

We study the growth of the Fe films on GaAs(100) at a low temperature, 140 K, by $in$-$situ$ UHV x-ray reflectivity using synchrotron radiation. We find rough surface with the growth exponent, $\beta_S$ = 0.51$\pm$0.04. This indicates that…

We report the experimental results of temperature dependent polarized As K-edge extended x-ray absorption fine structure (EXAFS) of LaFe1-xCoxAsO (x=0.0 and 0.11) single-crystals. By aligning the Fe-As bond direction in the direction of the…

A series of sigma-phase Fe_{100-x}V_x samples with 34.4 < x < 59.0 were investigated by neutron and X-ray diffraction and Mossbauer spectroscopy (MS) techniques. The first two methods were used for verification of the transformation from…

We studied the surface properties of Ga-Cu based liquid metal alloys, a promising material system for supported catalytically active liquid metal solutions (SCALMS). The impact of Cu dilution in the (liquid) Ga matrix is in-detail…

Spin susceptibility of stabilized \delta phase in the Pu-Ga alloy is studied by measuring {69,71}^Ga NMR spectra and nuclear spin-lattice relaxation rate {69}T_{1}^{-1} in the temperature range 5 - 350 K. The shift ({69}^K) of the…

Debye temperature, $\Theta_D$, of Fe-rich Fe$_{100-x}$Cr$_x$ disordered alloys with $0\le x \le 22.3$ was determined from the temperature dependence of the central shift of M\"ossbauer spectra recorded in the temperature range of 60 -- 300…

The low temperature heat capacity C_{p} of Fe_{1-x}Ga_{x} alloys with large magnetostriction has been investigated. The data were analyzed in the standard way using electron ($\gamma T$) and phonon ($\beta T^{3}$) contributions. The Debye…

Lattice thermal conductivity of Cu$_2$O was studied using ab initio density functional methods. The performance of generalized gradient approximation, GGA-PBE, and PBE0 exchange-correlation functionals was compared for various electronic…

Vibrational and elastic properties of the $R$Fe$_{4}$Sb$_{12}$ skutterudites are investigated by, respectively, temperature $(T)$ dependent extended X-ray absorption fine structure (EXAFS) and pressure $(P)$ dependent x-ray diffraction…

Sigma-phase Fe65.9V34.1 alloy was investigated with the M\"ossbauer spectroscopy. M\"ossbauer spectra were recorded in the temperature interval of 80-300 K. Their analysis in terms of the hyperfine distribution protocol yielded the average…

Finite-temperature effects can be included by calculating the vibrations properties and this can greatly improve the fidelity of computational screening. An important challenge for DFT-based screening is the sensitivity of the predictions…

Normally, understanding the temperature dependent transport properties of strongly correlated electron systems remains challenging task due to complex electronic structure and its variations (around E$_{F}$) with temperature. Here, we…

Extended X-ray Absorption Fine Structure (EXAFS) experiments have been carried out on PrRu$_4$P$_{12}$ and PrOs$_4$P$_{12}$ to study the metal-to-insulator (MI) phase transition in PrRu$_4$P$_{12}$. No Pr displacement was observed across…

Rutile Sn$_{1-x}$Ge$_x$O$_{2}$ alloys are promising materials for high-power electronic applications due to their dopability and tunable ultra-wide band gaps. We use first-principles density functional theory and statistical mechanics to…

Heat capacity measurements of the delta-phase stabilized alloy Pu-Al suggest that strong electron-phonon coupling is required to explain the moderate renormalization of the electronic density of states near the Fermi energy. We calculate…

Time-dependent and constituent-specific spectral changes in soft near edge X-ray spectroscopy (XAS) of an [Fe/MgO]$_8$ metal/insulator heterostructure upon laser excitation are analyzed at the O K-edge with picosecond time resolution. The…

Experimental investigation as well as theoretical calculations, of the Fe-partial phonon density-of-states (DOS) for nominally Fe_52.5Cr_47.5 alloy having (a) alpha- and (b) sigma-phase structure were carried out. The former at sector 3-ID…

The local lattice structure in newly discovered LaFeAsO1-xFx superconductors is studied by extended x-ray absorption fine structure measurements. An anomalous upturn of the mean-square relative displacement of the Fe-As bond is detected…