Related papers: On the Nature of the Bonding in Metal-Silane sigma…
Comprehensive neutron-powder diffraction and Rietveld analyses were carried out to clarify the relation between the crystal and magnetic structures of La2-2xSr1+2xMn2O7 (0.30 =< x =< 0.50). The Jahn-Teller (JT) distortion of Mn-O6…
We used neutron powder diffraction to obtain the local and long-range structure of La0.5Ca0.5MnO3 at room temperature and 20K. By combining Rietveld and pair distribution function analysis of the total neutron scattering data, we have…
New structure data for the high-temperature diluted magnetic semiconductor Si:Mn, synthesized by laser method are presented. The higher resolution transmission electron microscopy and diffraction was applied in two crystal directions of…
New equiatomic nickel germanides MgNiGe, SrNiGe, and BaNiGe have been synthesized from the elements in sealed tantalum tubes using a high-frequency furnace. The compounds were investigated by X-ray diffraction both on powders and single…
We explore the possibility and potential benefit of rolling a Si2BN sheet into single-walled nanotubes (NTs). Using density functional theory (DFT), we consider both structural stability and the impact on the nature of chemical bonding and…
We report on a combined measurement of high-resolution x-ray diffraction on powder and Raman scattering on single crystalline NiS2-xSex samples that exhibit the insulator-metal transition with Se doping. Via x-rays, an abrupt change in the…
In order to study the magnetic and crystal structures in the Nd{1-x}Sr{x}MnO{3} system, we have peformed neutron diffraction measurements on melt-grown polycrystalline samples with 0.49 < x < 0.75. As a function of hole concentration x, the…
The accurate charge density of MgB2 was observed at room temperature(R.T.) and 15K by the MEM(Maximum Entropy Method)/Rietveld analysis using synchrotron radiation powder data. The obtained charge density clearly revealed the covalent…
The magnetoresistance (MR) effect in metallic atomic-sized contacts is studied theoretically by means of first-principle electronic structure calculations. We consider three-atom chains formed from Co, Cu, Si, and Al atoms suspended between…
Electronic structure of NiS_{2-x}Se_x system has been investigated for various compositions (x) using x-ray photoemission spectroscopy. An analysis of the core level as well as the valence band spectra of NiS_2 in conjunction with many-body…
The purpose of this work is to study the change in the structure of the Ge-Se network upon doping with Ag. The total structure factor S(Q) for two samples has been measured by neutron diffraction using the two-axis diffractometer dedicated…
Density functional theory calculations are used to investigate a-MnO2, a structure containing a framework of corner and edge sharing MnO6 octahedra with tunnels in between. Placing K+ ions into the tunnels stabilizes a-MnO2 with respect to…
Two-dimensional materials (2DM) have attracted much interest due to their distinct optical, electronic, and catalytic properties. These properties can be by tuned a range of methods including substitutional doping or, as recently…
First-principles molecular dynamics is employed to describe the atomic structure of amorphous SiN, a non-stoichiometric compound belonging to the Si$_x$N$_{y}$ family. To produce the amorphous state via the cooling of the liquid, both the…
The variation in local atomic structure and chemical bonding of ZrHx (x=0.15, 0.30, 1.16) magnetron sputtered thin films are investigated by Zr K-edge (1s) X-ray absorption near-edge structure and extended X-ray absorption fine structure…
Experiments on a sufficiently disordered two-dimensional (2D) electron system in silicon reveal a new and unexpected kind of metallic behavior, where the conductivity decreases as \sigma (n_s,T)=\sigma (n_s,T=0)+A(n_s)T^2 (n_s-carrier…
We have investigated the influence of Ca ions substitution on the structural and superconducting properties of (Nd1-xCax)(Ba1.6La0.4)Cu3Oz system. Magnetization, X-ray diffraction and neutron diffraction studies have been carried out on a…
The coupling of electrons and phonons is governed wisely by the symmetry properties of the crystal structures. In particular, for two-dimensional (2D) systems, it has been suggested that the electrons do not couple to phonons with pure…
$\Sigma$ is a new correlation measure, quite recently introduced to heavy-ion physics. This measure, defined in the independent source model as a strongly intensive quantity, is expected to be free of the effects of system volume and volume…
We report a first-principle theoretical study of a monolayer-thick lateral heterostructure (LH) joining two different transition metal dichalcogenides (TMDC): NbS2 and WSe2. The NbS2//WSe2 LH can be considered a prototypical example of a…