Related papers: Why is BeGeN$_2$ different? A computational bondin…
The crystal structure, mechanical properties and electronic structure of ground state BeH$_{2}$ are calculated employing the first-principles methods based on the density functional theory. Our calculated structural parameters at…
We report on Raman experiments performed on a single crystal MoTe$_2$ sample. The system belongs to the wide family of Transition Metal Dichalcogenides which includes several of the most interesting two dimensional materials for both basic…
A true understanding of the properties of pnictide superconductors require the development of high-quality materials and performing measurements designed to unravel their intrinsic properties and short-range nematic correlations which are…
Neutron scattering techniques are used to investigate the crystalline and magnetic structure of LuFe$_{0.75}$Mn$_{0.25}$O$_{3}$ in bulk polycrystalline form. We find that the crystalline structure is described by the hexagonal P6$_{3}$cm…
Nanotubular materials inspired by crystalline diborides such as AlB_2 are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated…
Charge ordering behavior is observed in the crystal prepared through the immersion of the $Na_{0.41}CoO_2$ crystal in distilled water. Discovery of the charge ordering in the crystal with Na content less than 0.5 indicates that the…
Through comprehensive density functional calculations, the crystallographic, magnetic and electronic properties of $Na_xCoO_2$ ($x$ = 1, 0.875, 0.75, 0.625 and 0.50) were investigated. We found that all Na ions in $NaCoO_2$ and…
Phase separation of sequence-disordered liquid crystalline polymers, a promising class of technological and biological relevance, is studied by field theory, and thermodynamic mechanisms responsible for orientational ordering observed in…
A series of CaxCoO2 (0.15 <= x <= 0.40) materials have been prepared by means of ion exchange reaction from NaxCoO2. Transmission electron microscopy (TEM) measurements revealed a rich variety of structural phenomena resulting from cation…
The magnetic, thermodynamic and dielectric properties of the $\gamma$ - Fe${_2}$WO${_6}$ system is reported. Crystallizing in the centrosymmetric $Pbcn$ space group, this particular polymorph exhibits a number of different magnetic…
Large-spin two-dimensional magnets are generally expected to develop conventional long-range order once the dominant exchange scale becomes appreciable. The layered spin-$3/2$ maple-leaf compound Na$_2$Mn$_3$O$_7$ defies this expectation:…
We present neutron diffraction analysis of BaFe$_2$(As$_{1-x}$P$_x$)$_2$ over a wide temperature (10 to 300 K) and compositional ($0.11 \leq x \leq 0.79$) range, including the normal state, the magnetically ordered state, and the…
The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…
We present stellar parameters of 19 K-type giants and their abundances of 13 chemical elements (Al, Ba, Ca, Fe, K, Mg, Mn, Na, Ni, Sc, Si, Ti and V), selected from two moving groups, covering the metallicity range of -0.6 < [Fe/H] < 0.2,…
The structural and electronic properties of Rutherfordium, the newest group IV B element, have been evaluated by first principles density functional theory in scalar relativistic formalism with and without spin-orbit coupling and compared…
The molecule 2-decyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene has gained a lot of attention, since high charge carrier mobility was observed in thin film transistors. Its thermotropic liquid crystalline states may play an important…
Through rational chemical design, and thanks to the hybrid nature of metal-organic frameworks (MOFs), it is possible to prepare molecule-based 2D magnetic materials stable at ambient conditions. Here, we illustrate the versatility of this…
Structural, magnetization, phonon behavior, and dielectric response of nano-crystalline Gd$_2$CoMnO$_6$ have been presented in this paper. The study shows that the material crystallizes in $\textit{P2$_1$/n}$ phase group of the monoclinic…
We report details of single crystal growth of stoichiometric bismuthide PtBi$_2$ whose structure consists of alternate stacking of Pt layer sandwiched by Bi bilayer along the $c$-axis. The compound crystallizes in space group P-3 with a…
The origin of magnetic frustration was stated and the ions whose shift is accompanied by emerging magnetic ordering and ferroelectricity in TbMn2O5 and BiMn2O5 were determined on the basis of calculation of magnetic coupling parameters by…