Related papers: Symmetry breaking in vanadium trihalides
Metal-insulator transitions driven by magnetic fields have been extensively studied in 2D, but a 3D theory is still lacking. Motivated by recent experiments, we develop a scaling theory for the metal-insulator transitions in the…
Systems with dipole moment conservation have been of recent interest, as they realize both novel quantum dynamics and exotic ground state phases. In this work, we study some generic properties of 1-D and 2-D dipole-conserving fermionic…
Theoretically, various physical properties of AV$_{2}$O$_{4}$ (A=Zn, Cd and Mg) spinels have been extensively studied for last 15 years. Besides of this, no systematic comparative study has been done for these compounds, where the material…
The effect of disorder on a class of transition metal oxides described by a single orbital Hubbard model at half filling is investigated. The phases are characterized by the nature of the electronic and spin excitations. The frequency and…
Motivated by the potential for cuprate-like superconductivity in monolayer rare-earth nickelate superlattices, we study the effects of crystal field splitting, lattice distortions and strain on the charge, magnetic, and orbital order in…
Studying the influence of breaking time-reversal symmetry on topological insulator surface states is an important problem of current interest in condensed matter physics and could provide a route toward proof-of-concept spintronic devices…
Quantum ground states which arise at atomically controlled oxide interfaces provide an opportunity to address key questions in condensed matter physics, including the nature of two-dimensional (2D) metallic behaviour often observed adjacent…
We investigate in this paper the ground state and the nature of the transition from an orientational ordered phase at low temperature to the disordered state at high temperature in a molecular crystal. Our model is a Potts model which takes…
We present a detailed analysis of the broken-symmetry mean-field solutions using a four-electron rectangular quantum dot as a model system. Comparisons of the density-functional theory predictions with the exact ones show that the symmetry…
The electronic structure of lanthanide and actinide compounds is often characterized by orbital ordering of localized $f$-electrons. Density-functional theory (DFT) studies of such systems using the currently available LDA+$U$ method are…
Vanadium dioxide, an archetypal correlated-electron material, undergoes an insulator-metal transition near room temperature that exhibits electron-correlation-driven and structurally-driven physics. Using ultrafast optical spectroscopy and…
Inversion symmetry breaking is critical for many quantum effects and fundamental for spin-orbit torque, which is crucial for next-generation spintronics. Recently, a novel type of gigantic intrinsic spin-orbit torque has been established in…
Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density…
First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density approximation underestimates the band gap, misplaces the…
Transition metal dichalcogenides (TMDs) constitute an intriguing platform for studying charge-ordered states including conventional and generalized Wigner crystals as well as Mott insulating states. In this work, we combine a phonon mode…
Here we study the single-particle, electronic transport and optical properties of a gapped system described by a simple two-band Hamiltonian with inverted valence bands. We analyze its properties in the three-dimensional (3D) and the…
Topological properties of quantum materials are intimately related to symmetry. Here, we tune the magnetic order of the axion insulator candidate EuIn$_2$As$_2$ from its broken-helix ground state to the field-polarized phase by applying an…
We explore the electronic band structure of free standing monolayers of chromium trihalides, CrX\textsubscript{3}{, X= Cl, Br, I}, within an advanced \emph{ab-initio} theoretical approach based in the use of Green's function functionals. We…
The magnetic properties of CrI$_3$ monolayers, which were recently measured, have been investigated considering electronic repulsion and localization effects in Cr 3d orbitals. In this study, we propose a DFT approach using Hubbard U…
We investigate the ground state of a balanced electron-hole system in the quantum Hall regime using mean-field theory and obtain a rich phase diagram as a function of interlayer distance d and the filling factor within a layer. We identify…