Related papers: On the crystal field in the modern solid-state the…
Quantum field theory (QFT) on non-stationary spacetimes is well understood from the side of the algebra of observables. The state space, however, is largely unexplored, due to the non-existence of distinguished states (vacuum, scattering…
In solids, crystal field splitting refers to the lifting of atomic orbital degeneracy by the surrounding ions through the static electric field. Similarly, we show that the degenerated $d$ orbitals, which were derived in the harmonic…
A new bosonic, excitonic method for interacting electrons is developed. For two-dimensional electron liquid, it reveals a noncompensated quantum crystal phase ranging from the high density, or vanishing Coulomb interaction, limit: $r_s=0$,…
Rare-earth (RE) atoms on top of 2D materials represent an interesting platform with the prospect of tailoring the magnetic anisotropy for practical applications. Here, we investigate the ground state and magnetic properties of selected…
We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…
The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular,…
The competition between antiferromagnetic and spin-singlet ground states within quantum spin models and the 1/2-filled band Hubbard model has received intense scrutiny. Here we demonstrate a frustration-induced transition from N\'{e}el…
Emergence of novel quantum ground states in correlated electron systems with strong spin-orbit coupling has been a recent subject of intensive studies. While it has been realized that spin-orbit coupling can provide non-trivial band…
Theory of $\tilde{J}$-pseudospin for $f$ element in cubic environment is developed. By fulfilling the symmetry requirements and the adiabatic connection to atomic limit, the crystal-field states are uniquely transformed into…
The crystal field splitting and d bandwidth of the 3d transition metal monoxides MnO, FeO, CoO and NiO are analyzed as a function of pressure within density functional theory. In all four cases the 3d bandwidth is significantly larger than…
Conditional probability distributions from exact diagonalization are used to investigate the crystalline or liquid character of the downward cusp states in parabolic quantum dots (QD's) at high magnetic fields. These states are crystalline…
Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the…
The orbital and spin moment of the Ni2+ ion in NiO has been calculated at 0 K to be 0.54mB and 1.99 mB respectively. Such large orbital moment, more than 20% of the total moment of 2.53 mB, proves the need for the ''unquenching'' of the…
We have performed calculations of the electronic structure of LaCoO3 from first principles, assuming the atomistic construction of matter and the electrostatic origin of the crystal-field splitting. In our atomic-like approach QUASST the d…
In this report we summarize a recent progress in exploration of correlated two-dimensional electron states in partially filled high Landau levels. At a mean-field Hartree-Fock level they can be described as charge-density waves, either…
This note aims to subsume several apparently unrelated models under a common framework. Several examples of well-known quantum field theories are listed which are connected via stochastic quantization. We highlight the fact that the…
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…
Systematically studying the crystal, magnetic, and electronic structures of PuGa3 with density functional theory (DFT) reveals the entanglement of the three types of structure. Magnetic structure affects the energy more strongly than…
Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and…
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in…