Laboratoire de Chimie Quantique, Universit� de Strasbourg, Department of Chemistry, 4 rue Blaise Pascal, 67000, Strasbourg, FRANCE.
Published: December 2024
AI Article Synopsis
Article Abstract
Recent, theoretical studies have shown that placing a spin-crossover ion in a field of radical ligands can induce local superpositions of local spin states (see Ref.[1,2]). This phenomenon, termed spinmerism, raises questions about its stability when spin-orbit coupling is included. Thus, we investigate the competition between spin-orbit coupling and spinmerism in a d2 metal ion with two radical ligands. Our results show that competing spinmerism and spin-orbit coupling can induce distinct states which may potentially open new avenues for quantum technologies.
Recent, theoretical studies have shown that placing a spin-crossover ion in a field of radical ligands can induce local superpositions of local spin states (see Ref.[1,2]). This phenomenon, termed spinmerism, raises questions about its stability when spin-orbit coupling is included.
The formalism to calculate excited state properties from the GW-Bethe-Salpeter equation (BSE) method is introduced, providing convenient access to excited state absorption, excited state circular dichroism, and excited state optical rotation in the framework of the GW-BSE method. This is achieved using the second-order transition density, which can be obtained by solving a set of auxiliary equations similar to time-dependent density functional theory (TD-DFT). The proposed formulation therefore leads to no increase in the formal computational complexity when compared to the corresponding ground state properties.
Inorganic lead-free metal halide perovskites have garnered much attention as low-toxicity alternatives to lead halide perovskites for luminescence and photovoltaic applications. However, the electronic structure and properties of these materials, including the composition dependence of the band structure, spin-orbit coupling, and Zeeman effects, remain poorly understood. Here, we investigated vacancy-ordered CsBiX (X= Cl, Br) perovskite nanocrystals using magnetic circular dichroism spectroscopy.
The orbital Hall effect originating from light materials with weak spin-orbit coupling, has attracted considerable interest in spintronic applications. Recent studies demonstrate that orbital currents can be generated from charge currents through the orbital Hall effect in ferromagnetic materials. However, the generation of orbital currents in antiferromagnets has so far been elusive.
Optical spin and orbital angular momenta are intrinsic characteristics of light determined by its polarization and spatial degrees of freedom, respectively. At the nanoscale, sharply focused structured light carries coupled spin-orbital angular momenta with complex 3D nearfield structures, crucial for manipulating multidimensional information of light in nanophotonics. However, characterizing these interactions faces challenges with conventional farfield-based methods, which typically lack the essential accuracy and resolution to interrogate the structured nearfield with high fidelity.
