相关论文: Zinc in a +III oxidation state
A number of group III-metal oxides are studied via density functional theory in order to establish a possibility of nonthermal transition of these materials into a superionic state. Atomic and electronic properties of the materials are…
The oxidation state of titanium in titanium dioxide is commonly assumed to be +4. This assumption is used ubiquitously to rationalize phenomena observed with TiO2. We present a comprehensive electronic structure investigation of Ti ions,…
The major chemical feature of an element is the number of electrons available for forming chemical bonds. A doctrine rooted in the atomic shell model states that the atoms will maintain a complete inner shell while interacting with other…
Transitional metal ions widely exist in biological environments and are crucial to many life-sustaining physiological processes. Recently, transition metal ion such as Cu$^{2+}$, Zn$^{2+}$, Ni$^{2+}$, have been shown can increase the…
The appropriateness of including Hg among the transition metals has been debated for a long time. Although the synthesis of HgF$_{4}$ molecules in gas phase was reported before, the molecules show strong instabilities and dissociate.…
The enthalpies of solution of H in Zr binary intermetallic compounds formed with Cu, Cr, Fe, Mo, Ni, Nb, Sn and V were calculated by means of density functional theory simulations and compared to that of H in {\alpha}-Zr. It is predicted…
Nonlinear optical phenomena are at the heart of various technological domains such as high-speed data transfer, optical logic applications, and emerging fields such as non-reciprocal optics and photonic time crystal design. However,…
We investigate the evolution of the ionization state of metal-enriched gas in and around galaxies near the epoch of reionization using a sample of 488 metal absorption systems at 4.3<z<6.3 from the E-XQR-30 survey. We classify the…
We have performed chemical probing spectroscopy of H3+ ions trapped in a cryogenic 22-pole ion trap. The ions were buffer-gas cooled to 55K by collisions with helium and argon. Excitation to states above the barrier to linearity was…
Heavy Fermion physics deals with the ground state formation and interactions in f-electron materials where the electron effective masses are extremely large, more than 100 times the rest mass of an electron. The details of how the…
Matter under irradiation may enter unusual transient states, outside of its equilibrium phase diagram. One of such states is a superionic-like state, in which one sublattice of a compound liquifies, whereas another one remains solid. Here,…
We calculate the spectra, electric dipole transition rates and isotope shifts of the super heavy elements Ds (Z=110), Rg (Z=111) and Cn (Z=112) and their ions. These calculations were performed using a recently developed, efficient version…
The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with $111 \leq Z \leq 114$, namely, Rg, Cn, Nh, and Fl are reexamined using the relativistic Fock-space coupled-cluster method with…
Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…
Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a…
Hydrogen in its metallic form is the most common material in our solar system, found under the extreme pressure and temperature conditions found in giant planets. Such conditions are inaccessible to experiment and consequently, theoretical…
We calculate the evolution of heavy element abundances from C to Zn in the solar neighborhood adopting our new nucleosynthesis yields. Our yields are calculated for wide ranges of metallicity (Z=0-Z_\odot) and the explosion energy (normal…
The recent discoveries of the long-lived high spin super- and hyperdeformed isomeric states and their unusual radioactive decay properties are described. Based on their existence a consistent interpretation is given to the production of the…
The electrical resistivity of liquid hydrogen has been measured at the high dynamic pressures, densities and temperatures that can be achieved with a reverberating shock wave. The resulting data are most naturally interpreted in terms of a…
Light radions constitute one of the few surviving possibilities for observable new particle states at the sub-TeV level which arise in models with extra spacetime dimensions. It is already known that the 125 GeV state discovered at CERN is…