Related papers: Low-Energy Linear Structures in Dense Oxygen: Impl…
The binding-energy pattern along the neutron-rich oxygen chain, governed by an interplay between shell effects and many-body correlations impacted by strong couplings to one- and two-neutron continuum, make these isotopes a unique testing…
Oxygen is in many ways a unique element: the only known diatomic molecular magnet and the capability of stabilization of the hitherto unexpected O8 cluster structure in its solid form at high pressure. Molecular dissociations upon…
We calculate the power spectrum of electric-field-driven ion transport through cylindrical nanometer-scale pores using both linearized mean-field theory and Langevin dynamics simulations. With the atom-sized cutoff radius as the only…
A novel type of exciton-phonon bound state -- interlayer polaron -- in a double-layer two-dimensional semiconductor with transition metal dichalcogenides as an example, is predicted. In these systems the interaction of the interlayer…
The lowest bound states of the hydrogen negative ion and negative donor systems in a homogeneous magnetic field are investigated theoretically via a full configuration interaction approach with an anisotropic Gaussian basis set. The broad…
SrTiO$_3$ (STO) is the substrate of choice to grow oxide thin-films and oxide heterojunctions, which can form quasi-two-dimensional electronic phases that exhibit a wealth of phenomena, and, thus, a workhorse in the emerging field of…
Oxide heterostructures are a new class of materials by design, that open the possibility for engineering challenging electronic properties, in particular correlation effects beyond an effective single-particle description. This short review…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane…
The transition metal dichalcogenide TiSe$_2$ has received significant research attention over the past four decades. Different studies have presented ways to suppress the 200~K charge density wave transition, vary low temperature…
Based on a symmetry argument, we study the ground-state properties of halogen-bridged binuclear metal chain complexes. We systematically derive commensurate density-wave solutions from a relevant two-band Peierls-Hubbard model and…
Atom controlled sub-nanometer MoS$_2$ pores have been recently fabricated. Oxidative environments are of particular interest for MoS$_2$ applications in electronics, sensing and energy storage. In this work we carried out first-principles…
In this article we present a comprehensive theoretical investigation of phonon lasing with mixed-species trapped ions, as demonstrated in [T. Behrle, Phys. Rev. Lett. 131 (2023)], employing both a semi-classical mean-field description and a…
Dipolar-octupolar pyrochlore magnets in a strong external magnet field applied in the [110] direction are known to form a `chain' state, with subextensive degeneracy. Magnetic moments are correlated along one-dimensional chains carrying…
The present article is concerned with the use of approximations in the calculation of the many-body density of states (MBDS) of a system with total energy E, composed by N bosons. In the mean-field framework, an integral expression for…
Ions in ionic liquids and concentrated electrolytes reside in a crowded, strongly-interacting environment, leading to the formation of discrete layers of charges at interfaces. Here, we propose a continuum theory that captures the…
The closed analytical expression for the electron density of states function in a rectangular lattice is derived in an elementary way in terms of complete elliptic integrals of the first kind. The lattice can be treated as a deformed square…
Using density-functional theory in combination with a thermodynamic formalism we calculate the relative stability of various structural models of the polar O-terminated (000-1)-O surface of ZnO. Model surfaces with different concentrations…
We set up a field theory model to describe the longitudinal low energy modes in high density matter present in white dwarf stars. At the relevant scales, ions -- the nuclei of oxygen, carbon and helium -- are treated as heavy point-like…
Phase transformations induced by short optical pulses are mainstream in studies on the dynamics of cooperative electronic states. We present a semi-phenomenological modeling of spacio-temporal effects expected when optical excitons are…