Related papers: Re-determination of the Pseudobinary System Li2O-M…
Oxygen-containing yttrium hydride (YHO) and molybdenum trioxide (MoO$_3$) bilayer films (YHO/MoO$_3$) are produced using reactive magnetron sputtering, and their photochromic properties are investigated in relation to the thickness and…
We discuss the interplay between a slow continuous drift of temperature, which induces continuous phase separation, and the non-linear diffusion term in the $\phi^4$-model for phase separation of a binary mixture. This leads to a bound for…
We report the decomposition of La2-xSrxCuO4 into La2O3 and Cu nanoparticles in ultra-high vacuum, observed by in-situ heating experiments in a transmission electron microscope (TEM). The analysis of electron diffraction data reveals that…
A series of electronic and structural transitions are predicted in molten lithium from first principles. A new phase with tetrahedral local order characteristic of $sp^3$ bonded materials and poor electrical conductivity is found at…
Luminescence lifetimes of Ruthenium (II) polypyridine compounds is thought to be controlled by the barrier to conversion of triplet metal-ligand charge transfer ($^{3}$MLCT) state to a non-luminescent triplet metal-centered ($^{3}$MC)…
The transmission electron microscopy observations of the charge ordering (CO) which governs the electronic polarization in LuFe2O4-x clearly show the presence of a remarkable phase separation at low temperatures. Two CO ground states are…
Employing first principles parallel tempering molecular dynamics in the microcanonical ensemble, we report the presence of a clear solid-liquid-like melting transition in Al20+ clusters, not found in experiments. The phase transition…
Transition metal oxides such as vanadium dioxide (VO$_2$), niobium dioxide (NbO$_2$), and titanium sesquioxide (Ti$_2$O$_3$) are known to undergo a temperature-dependent metal-insulator transition (MIT) in conjunction with a structural…
The melting of a binary system of charged particles confined in a {\it quasi}-one-dimensional parabolic channel is studied through Monte Carlo simulations. At zero temperature the particles are ordered in parallel chains. The melting is…
We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlation energy. The melting curve of lithium was computed using…
The phase stability of the (Bi2)m(Bi2Te3)n natural superlattices has been investigated through the low temperature solid state synthesis of a number of new binary BixTe1-x compositions. Powder X-ray diffraction revealed that an infinitely…
We calculate nuclear matrix elements (NME) of neutrinoless double beta decay in four different candidate nuclei (Ge-76, Se-82, Mo-100, Te-130) within the quasiparticle random phase approximation (QRPA) and its uncertainties. We assume (up…
A first-principles-derived approach is used to study structural, piezoelectric and dielectric properties of Pb(Zr_{1-x}Ti_{x})O_{3} (PZT) solid solutions near the morphotropic phase boundary at low temperature. Three ferroelectric phases…
LiNi0.5Mn1.5O4, which has a spinel framework structure, is a promising candidate for the cathode material of next-generation lithium-ion batteries with high energy density. We investigate the structural transition in LixNi0.5Mn1.5O4 (0 <= x…
Unconventional superconductivity in the Chevrel phase offers a wide structural aspect to understand the superconducting ground state. A detailed investigation on the superconducting properties of Re based pseudobinary telluride Chevrel…
Our measured dielectric constant and mechanical response of multiferroic BiFeO3 indicate four phase transitions below room temperature. Features correlate with those reported at 50K (from a peak in the zero-field-cooled magnetic…
The eclipsing and double-lined spectroscopic binary system V453 Cygni consists of two early B-type stars, one of which is nearing the terminal age main sequence and one which is roughly halfway through its main sequence lifetime. Accurate…
Substitutions of the zirconium and tin ions along with the indium-niobium and iron-niobium complexes for titanium in the barium modified NBT solid solutions impact the formation of phases in the process of the solid state synthesis and the…
We present x-ray reflectivity measurements from the free surface of a liquid gallium-bismuth alloy (Ga-Bi) in the temperature range close to the bulk monotectic temperature $T_{mono} = 222$C. Our measurements indicate a continuous formation…
In an experiment with a 65 MeV/nucleon polarized deuteron beam on a liquid-deuterium target at KVI, several multi-body final states in deuteron-deuteron scattering were identified. For these measurements, a unique and advanced detection…