Related papers: Zinc in a +III oxidation state
Structural behavior and equation of state of atomic and molecular crystal phases of dense hydrogen at pressures up to 3.5 TPa are systematically investigated with density functional theory. The results indicate that the Vinet EOS model that…
We report the first experimental evidence for a metallic phase in fluid molecular oxygen. Our electrical conductivity measurements of fluid oxygen under dynamic quasi-isentropic compression show that a non-metal/metal transition occurs at…
In transition-metal compounds, the transition-metal d electrons play an important role in their physical properties; however, the effects of the electron correlation between the ligand p electrons have not been clear yet. In this Letter,…
Level crossings in the ground state of ions occur when the nuclear charge Z and ion charge Z_ion are varied along an isoelectronic sequence until the two outermost shells are nearly degenerate. We examine all available level crossings in…
Using deep narrow-band (NB) imaging and optical spectroscopy from the Keck telescope and MMT, we identify a sample of 20 emission-line galaxies (ELGs) at z=0.065-0.90 where the weak auroral emission line, [OIII]4363, is detected at…
Zirconium alloys are used as nuclear fuel cladding material due to their mechanical and corrosion resistant properties together with their favorable cross-section for neutron scattering. At running conditions, however, there will be an…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…
Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…
In this paper, density functional theory calculations are used to explore the electronic and atomic reconstruction at interfaces between III-III/I-V oxides. In particular, at these interfaces, two dimensional electron gases (2DEGs) with…
We derived simple rules for the sign of superexchange interaction based on the multielectron calculations of the superexchange interaction in the transition metal oxides that are valid both below and above spin crossover under high…
The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matter physics. The high-pressure metallic phase is now predicted to be liquid atomic from T=0 K to very high temperatures. We have conducted…
Zn0.96Mn0.04O samples were synthesized by solid state reaction technique to explore their magnetic behavior. Structural, morphological and magnetic properties of the samples have been found to be modified by 50 MeV Li+3 ion beam…
A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a…
The heaviest iron-peak element, Zn has been used as an important tracer of cosmic chemical evolution. Spectroscopic observations of the metal-poor stars in Local Group galaxies show that an increasing trend of [Zn/Fe] ratios toward lower…
It is suggested that p-d hybridization contributes significantly to the hole binding energy E_b of Mn acceptors in III-V compounds, leading in an extreme case to the formation of Zhang-Rice-like small magnetic polarons. The model explains…
If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…
We have performed large-scale configuration interaction (CI) calculations using CIV3for the lowest (in energy) 155 fine-structure levels of aluminum-like germanium ion. We have calculated the energy levels, lifetimes, oscillator strengths,…
In recent years, Hagedorn states have been used to explain the equilibrium and transport properties of a hadron gas close to the QCD critical temperature. These massive resonances are shown to lower $\eta/s$ to near the AdS/CFT limit close…
We present detailed photoionization models of well aligned optically thin C III absorption components at $2.1 < z < 3.4$. Using our models we estimate density ($n_{\rm \tiny H}$), metallicity ($[C/H]$), total hydrogen column density and…
The Ag ion in the recently synthesized novel material Ag2NiO2 adopts an extremely unusual valency of 1/2, leaving the Ni ion as 3+, rather than the expected 2+. Using first principles calculations, we show that this mysterious subvalent…