Related papers: Crystal structures of dodecaborides: complexity in…
The theoretical studies of light absorption and scattering spectra of the plexcitonic two-layer triangular nanoprisms and three-layer nanospheres are reported. The optical properties of such metal-organic core--shell and core--double-shell…
It is shown that the d8 electron system occurring in the Ni2+ ion can have the non-magnetic ground state in the atomic scale formed by the Jahn-Teller effect. The tetragonal/trigonal off-cubic lattice distortion for the octahedral site…
The tetraboride HoB4 crystallizes in a tetragonal structure (space group P4/mbm), with the Ho atoms realizing a Shastry-Sutherland lattice. It orders antiferromagnetically at TN1 = 7.1 K and undergoes further magnetic transition at TN2 =…
This study details the conditions under which strong-coupling perturbation theory can be applied to the molecular crystal model, a fundamental theoretical tool for analysis of the polaron properties. I show that lattice dimensionality and…
The long-range and anisotropic nature of the dipolar interaction provides the so-called supersolid phases in Bose-Einstein condensates (BECs) in an optical lattice. However, in a certain area of dipole interaction parameters, BECs can form…
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…
Transition-metal compounds represent a fascinating playground for exploring the intricate relationship between structural distortions, electronic properties, and magnetic behaviour, holding significant promise for technological…
The lattice distortion parameter (the deviation of the c/a ratio from the ideal value 1.633), orientational order parameter, and crystal-field parameter in hexagonal close-packed (hcp) lattice of p-H2, o-D2 and n-H2 are calculated using the…
We study the structure and stability of vortex lattices in two-component rotating Bose-Einstein condensates with intrinsic dipole-dipole interactions (DDIs) and contact interactions. To address experimentally accessible coupled systems, we…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
Although metallic elements favor three-dimensional (3D) geometries due to their isotropic, metallic bonding, experiments have reported metals also with two-dimensional (2D) allotropes, the so-called metallenes. And while bulk metals'…
The crystal structure of a disordered form of Cr$_{1/3}$NbS$_2$ has been characterized using diffraction and inelastic scattering of synchrotron radiation. In contrast to the previously reported symmetry (P6$_3$22), the crystal can be…
A model interaction is proposed in which pairing is caused by a non-local Jahn-Teller (JT) -like instability due to the coupling between planar O states and knot equal to 0 phonons. Apart from pairing, the interaction is found to naturally…
The difficulty of description of the radiative transfer in disordered photonic crystals arises from the necessity to consider on the equal footing the wave scattering by periodic modulations of the dielectric function and by its random…
A combination of Scanning Tunneling Microscopy/Spectroscopy and Density Functional Theory (DFT+U) is used to characterize excess electrons in TiO$_2$ rutile and anatase, two prototypical materials with identical chemical composition but…
Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via…
Alkali-doped fullerides A$_n$C$_{60}$ show a remarkably wide range of electronic phases in function of A= Li, Na, K, Rb, Cs and the degree of doping, $n=1-5$. While the presence of strong electron correlations is well established, recent…
Johnson-Kendall-Roberts (JKR) theory is an accurate model for strong adhesion energies of soft slightly deformable material. Little is known about the validity of this theory on complex systems such as living cells. We have addressed this…
While the Heisenberg model for magnetic Mott insulators on planar lattice structures is comparatively well understood in the case of transition metal ions, the intrinsic spin-orbit entanglement of 4f magnetic ions on such lattices shows…
We examine the stability of quasi-two-dimensional dipolar Bose-Einstein condensates in the presence of weak optical lattices of various geometries. We find that when the condensate possesses a roton-maxon quasiparticle dispersion, the…