Related papers: A fundamental requirement for crystal-field parame…
The organic metal \theta$-(BETS)$_4$HgBr$_4$(C$_6$H$_5$Cl) is known to undergo a phase transition as the temperature is lowered down to about 240 K. X-ray data obtained at 200 K indicate a corresponding modification of the crystal…
The atomic transitions employed in the best of today's optical clocks are a strong foundation for the upcoming redefinition of the SI second. Including multiple transitions in the definition offers increased accuracy, a robust diversity of…
In a recent class of phase field crystal (PFC) models, the density order parameter is coupled to powers of its mean field. This effectively introduces a phenomenology of higher-order direct correlation functions acting on long wavelengths,…
Using factorization we determine the allowed domains of the ratios of form factors, $x = A_2(0)/A_1(0)$ and $y = V(0)/A_1(0)$, from the experimentally measured ratio $R_h \equiv \Gamma(D_s^+ \ra \phi \rho^+)/\Gamma(D_s^+ \ra \phi \pi^+)$…
Erbium ions in crystals show considerable promise for the technologies that will form the backbone of future networked quantum information technology. Despite advances in leveraging erbium's fibre-compatible infrared transition for…
We investigate pairing and quantum phase transitions in the one-dimensional two-component Fermi atomic gas in an external field. The phase diagram, critical fields, magnetization and local pairing correlation are obtained analytically via…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
The Casimir force is calculated analytically for configurations of two parallel plates and a spherical lens (sphere) above a plate with account of nonzero temperature, finite conductivity of the boundary metal and surface roughness. The…
It has been shown that to calculate the parameters of the electrostatic field of the ion crystal lattice it sufficient to take into account ions located at a distance of 1-2 lattice spacings. More distant ions make insignificant…
The crystal field parameters of 13 trivalent lanthanide ions substituted for La in LaF$_3$ were calculated using the combination of the band structure and Wannier function calculations. Performing an atomic exact diagonalization with thus…
The correct description of the ionic interaction and stable equilibrium of the simulations of biomolecular structure, dynamics, folding, catalysis, and function, an accurate model of the monovalent ions is very important. The force field…
The spectrum of excited states observed in the finite volume of lattice QCD is governed by the discrete symmetries of the cubic group. This finite group permits the mixing of orbital angular momentum quanta in the finite volume. As…
The effective crystal field in multi-orbital correlated materials can be either enhanced or reduced by electronic correlations with crucial consequences for the topology of the Fermi surface and, hence, on the physical properties of these…
We report on the development and application of a parametrized crystal-field model for both C$_{1}$ symmetry centers in trivalent erbium-doped Y$_{2}$SiO$_{5}$. High resolution Zeeman and temperature dependent absorption spectroscopy was…
Odd-parity superconductivity is a fundamentally interesting but rare state of matter with a potential for applications in topological quantum computing. Crystals with staggered locally noncentrosymmetric structures have been proposed as…
Phase transition of decay rate from quantum tunneling to thermal activity regimes is investigated in (3+1)-dimensional field theories with symmetry breaking term $f\phi$. By applying the two independent criteria for the sharp first-order…
By judicious use of extrapolations to the 1-particle basis set limit and $n$-particle calibration techniques, total atomization energies of molecules with up to four heavy atoms can be obtained with calibration accuracy (1 kJ/mol or better,…
We consider the dynamics of a field coupled to a harmonic crystal with $n$ components in dimension $d$, $d,n\ge 1$. The crystal and the dynamics are translation-invariant with respect to the subgroup $\Z^d$ of $\R^d$. The initial data is a…
Using a recently developed method combining a nonspherical self-interaction corrected LDA+$U$ scheme and an on-site multi-body Hamiltonian [Phys.\ Rev.\ B 83, 085106 (2011)], we calculate the crystal field parameters and crystal field (CF)…
The ratio of the sigma mass to the pion mass at finite temperatures and densities provides for a quantitative signal of chiral symmetry breaking. We calculate this ratio by using an extension to finite chemical potential of the field…