In this contribution, we study the effects caused by rotation of an electron/hole in the presence of a screw dislocation confined in a quantum ring potential, within a quantum dynamics. The Tan-Inkson potential is used to model the confinement of the particle in two-dimensional quantum ring. We suppose that the quantum ring is placed in the presence of an external uniform magnetic field and an Aharonov-Bohm flux in the center of the system, and that the frame rotates around the z-axis. The Schrödinger equation is solved and the eigenfunctions and energy eigenvalues are exactly obtained for this configuration. The influence of the dislocation and the rotation on both the persistent current and magnetization is also studied.

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We present a theoretical study of the surface magnon-polaritons at an interface formed by vacuum and a gyromagnetic medium (that can be either ferromagnetic or antiferromagnetic), when there is a graphene layer deposited between the media at the interface and a magnetic field is applied perpendicular to the interface. The retarded-mode dispersion relations are calculated by considering a superposition of TM and TE electromagnetic waves in both media. Our results reveal the appearance of the surface magnon-polariton modes (with frequencies typically of a few GHz) that do not exist in the absence of graphene at the interface. Also, a typical magnon-polariton dispersion relation with damping is revealed, including a resonant frequency that depends on the applied magnetic field. The effects of varying the doping levels, which modify the Fermi energies in the graphene, and varying the perpendicular applied magnetic field are presented, revealing a strong influence exerted by the presence of graphene on the surface magnon-polariton modes. Other effects include the control of the slope of the dispersion curves (with respect to the in-plane wave vector) for the modes as the Fermi energies of the graphene sheet are changed and the distinctive localization properties for the emerging surface modes.

Mesoionics are neutral compounds that cannot be represented by a fully covalent or purely ionic structure. Among the possible mesomeric structures of these compounds are the diradical electronic configurations. Theoretical and experimental studies indicate that some mesoionic rings are unstable, which may be related to a significant diradical character, that until then is not quantified. In this work, we investigated the diradical character of four heterocycles: 1,3-oxazol-5-one, 1,3-oxazol-5-thione, 1,3-thiazole-5-one, and 1,3-thiazole-5-thione. The oxazoles are known to be significatively less stable than thiazoles. DFT and ab initio single (B3LYP, MP2, CCSD, and QCISD) and ab initio multi-reference (MR-CISD) methods with three basis sets (6-311+G(d), aug-cc-pVDZ, and aug-cc-pVTZ) were employed to assess the diradical character of the investigated systems, in gas phase and DMSO solvent, from three criteria: (i) HOMO-LUMO energy gap, (ii) determination of energy difference between singlet and triplet wave functions, and (iii) quantification of the most significant diradical character (y0, determined in the unrestricted formalism). All of the results showed that the diradical character of the investigated systems is very small. However, the calculated electronic structures made it possible to identify the possible origin of the oxazoles instability, which can help the design of mesoionic systems with the desired properties.