相关论文: Electronegativity and chemical hardness of the ele…

Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…

At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - is altered dramatically. As pressure is applied, the…

The so-called negative electron compressibility refers to the lowering of the chemical potential of a metallic system when the carrier density increases. This effect has often been invoked in the past to explain the enhancement of the…

An overview of the behavior of materials at high pressure is presented, starting from the effects on single atoms driving electronic transitions and changes in periodic trends. A range of high-pressure-induced phenomena in the solid state…

In this work, we demonstrate a remarkable change of chemical trend of Iron under high pressure that is of great importance for understanding the distribution of elements in the Earth's mantle and core. Using first principles crystal…

Elemental calcium (Ca), a simple metal at ambient conditions, has attracted huge interest because of its unusual high-pressure behavior in structural, electrical, and melting properties whose origin remain unsolved. Here, using a…

We give a general thermodynamic analyzis of the behaviour of the chemical potential of electrons in metals at a second order phase transition, including in our analysis the effect of long range Coulomb forces. It is shown, that this…

Well-established textbook arguments suggest that static electric susceptibility must be positive in "all bodies" [1]. However, it has been pointed out that media that are not in thermodynamic equilibrium are not necessarily subject to this…

Atoms under pressure undergo a series of processes and modification of its electronic structure. Examples are the spontaneous ionization, stabilization of excited-state configurations that result in a level-crossing with the ground state of…

Results of experimental studies of electric explosion, in water, of foils made of extremely pure materials are presented. New chemical elements detected both by spectroscopic measurements during the electric discharge and by a…

This article reviews the static and dynamic properties of spontaneous superstructures formed by electrons. Representations of such electronic crystals are charge density waves and spin density waves in inorganic as well as organic low…

When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with…

The unusual properties of elemental plutonium have long been a puzzle. It has been suggested that these properties may be related to quantum criticality [G. Chapline, J. L. Smith LA Sci 26 (2000) 1]. In this talk we will describe some…

In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first…

Recent results from our on going experimental investigation of the influence of space dependant electric fields on the weight of test particles are reported. Test particles were gold coated metal spheres of same size but of different…

We predict that simple metals and early transition metals that become superconducting under high pressures will show a change in sign of their Hall coefficient from negative to positive under pressure. If verified, this will strongly…

Photoluminescence (PL) properties of materials containing transition-metal ions depend on a variety of structural factors such as electronic structure, site symmetry and neighbouring atoms. These factors play a crucial role for the…

The periodic changes in the physical and chemical properties of the chemical elements are caused by the periodic change of the ionization energies, which are constant for each element that manifested in the Periodic Table. However, as has…

Electron affinity, electronegativity and electrophilicity of several neutral atoms and their positive and negative ions are calculated at various levels of theory using different basis sets in the gas phase as well as in the presence of…

Electronegativity is a cornerstone of chemical intuition, essential for rationalizing bonding, reactivity, and material properties. However, prevailing scales remain empirically derived, often relying on parameterized models or composite…