Related papers: Orbital Entanglement and The Double $d$-Shell Effe…
Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently…
Monolayers of transition metal dichalcogenides (TMDs) in the 2H structural phase have been recently classified as higher-order topological insulators (HOTI), protected by $C_3$ rotation symmetry. In addition, theoretical calculations show…
Theory of Rashba spin-orbit coupling in magnetic metals is worked out from microscopic Hamiltonian describing d-orbitals. When structural inversion symmetry is broken, electron hopping between $d$-orbitals generates chiral ordering of…
We consider the localization of independent electron orbitals in double-layer two-dimensional electron systems in the strong magnetic field limit. Our study is based on numerical Thouless number calculations for realistic microscopic models…
The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some…
Low-dimensional electron systems, as realized naturally in graphene or created artificially at the interfaces of heterostructures, exhibit a variety of fascinating quantum phenomena with great prospects for future applications. Once…
Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact…
The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the…
The occupation of d-orbitals controls the magnitude and anisotropy of the inter-atomic electron transfer in transition metal oxides and hence exerts a key influence on their chemical bonding and physical properties. Atomic-scale modulations…
Recent nuclear magnetic resonance measurements on isotope engineered double walled carbon nanotubes (DWCNTs) surprisingly suggest a uniformly metallic character of all nanotubes, which can only be explained by the interaction between the…
The basic concepts of orbital entanglement and its application to chemistry are briefly reviewed. The calculation of orbital entanglement measures from correlated wavefunctions is discussed in terms of reduced $n$-particle density matrices.…
We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines Density Functional and Dynamical Mean Field Theory using a multi-orbital perturbative solver for the many-body problem. Our…
We investigate a generalized multi-orbital tight-binding model on a triangular lattice, a system prevalent in a wide range of two-dimensional materials, and particularly relevant for simulating transition metal dichalcogenide monolayers. We…
Recent investigations suggest that both spin-orbit coupling and electron correlation play very crucial roles in the $5d$ transition metal oxides. By using the generalized Gutzwiller variational method and dynamical mean-field theory with…
Two-dimensional transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as $1T$ and $1H$, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead…
We have investigated spin Hall effects in 4$d$ and 5$d$ transition metals, Nb, Ta, Mo, Pd and Pt, by incorporating the spin absorption method in the lateral spin valve structure; where large spin current preferably relaxes into the…
We study the artificial molecular states formed in laterally coupled double semiconductor nanorings by systems containing one, two and three electrons. An interplay of the interring tunneling and the electron-electron interaction is…
Electronic correlations could have significant impact on the material properties. They are typically pronounced for localized orbitals and enhanced in low-dimensional systems, so two-dimensional (2D) transition metal compounds could be a…
We explore multiband effects on d-wave superconducting instabilities driven by electron-electron interactions. Our models on the two-dimensional square lattice consist of a main band with an extended Fermi surface and predominant weight…
Two phenomena have been recently observed in high-mobility Si MOS structures: (1) strong enhancement of the metallic conduction at low temperatures, T < 2K, and (2) the scaling behavior of the temperature and electric field dependences of…