Related papers: On the crystal field in the modern solid-state the…
We present an overview of recent studies of the charge transport in the field effect transistors on the surface of single crystals of organic low-molecular-weight materials. We first discuss in detail the technological progress that has…
We review our recent modeling of crystal nucleation and polycrystalline growth using a phase field theory. First, we consider the applicability of phase field theory for describing crystal nucleation in a model hard sphere fluid. It is…
We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…
Moir\'e materials, typically confined to stacking atomically thin, two - dimensional (2D) layers such as graphene or transition metal dichalcogenides, have transformed our understanding of strongly correlated and topological quantum…
We describe and discuss a solid state proposal for quantum computation with mobile spin qubits in one-dimensional systems, based on recent advances in spintronics. Static electric fields are used to implement a universal set of quantum…
This paper reviews the current progress on searching the Kitaev spin liquid state in 3d electron systems. Honeycomb cobaltates were recently proposed as promising candidates to realize the Kitaev spin liquid state, due to the more localized…
We report an approach for determination of zero-field splitting parameters from four-component relativistic calculations. Our approach involves neither perturbative treatment of spin-orbit interaction nor truncation of the spin-orbit…
Correlated electron systems are among the centerpieces of modern condensed matter sciences, where many interesting physical phenomena, such as metal-insulator transition and high-Tc superconductivity appear. Recent efforts have been focused…
Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…
Electron and nuclear spins are very promising candidates to serve as quantum bits (qubits) for proposed quantum computers, as the spin degrees of freedom are relatively isolated from their surroundings, and can be coherently manipulated…
In this chapter I discuss the impact of concepts of Quantum Field Theory in modern Condensed Physics. Although the interplay between these two areas is certainly not new, the impact and mutual cross-fertilization has certainly grown…
A combination of classical density-functional theory and thermodynamic perturbation theory is applied to a survey of finite-temperature trends in the relative stabilities of one-component crystals and quasicrystals interacting via effective…
Spin and valley are two fundamental properties of electrons in crystals. The similarity between them is well understood in valley-contrasting physics established decades ago in two-dimensional (2D) materials like graphene--with broken…
Using the Hubbard Hamiltonian for transition metal-3d and oxygen-2p states with perovskite geometry, we present a dynamical mean field theory which becomes exactin the limit of large coordination numbers or equivalently large spatial…
We study the symmetry-broken phases in two- and three-orbital Hubbard models with lifted orbital degeneracy using dynamical mean field theory. On the technical level, we explain how symmetry relations can be exploited to measure the…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (i) a rewriting of the Hamiltonian into positive semidefinite form, (ii) the construction of a many-electron ground…
Owing to their exceptional chemical and electronic tunability, metal-organic frameworks can be designed to develop magnetic ground states making a range of applications feasible, from magnetic gas separation to the implementation of…
Intense electrostatic fields, such as those able to break bonds and cause field-ion emission, can fundamentally alter the behaviour of atoms at and on the surface. Using density functional theory (DFT) calculations on the Li (110) surface…
A recent experiment has questioned the standard relative value of spin-orbit and crystal-field strengths in rare-earth $4f$ electron systems, according to which the first should be one order of magnitude larger that the second. We find it…