Ab Initio Study of the Influence of Spin and Orbital Magnetic Moments on the Stability of Magnetic and Charge Distribution in Co:ZnO Monolayer.

The development of ultrathin magnets with tunable magnetic properties is essential for advancing quantum computing technologies. In this study, density functional theory (DFT) calculations were employed to investigate the atomic and electronic structures of a ZnO monolayer embedded with cobalt atoms. The impact of spin dynamics on charge transfer within the Co:ZnO system was thoroughly examined.

Photoprocesses in Bis-Diethylamino Derivatives of 1,4- and 1,3-Distyrylbenzene.

The photoprocesses of diethylamino derivatives of 1,4- and 1,3-distyrylbenzenes in MeCN were studied using absorption, luminescence, H NMR, and laser kinetic spectroscopy. Compounds and undergo intersystem crossing to the triplet state and exhibit delayed fluorescence. It was concluded that dye radical anions and radical cations are formed upon dismutation of the triplet state in the presence of an electron donor or acceptor.

Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations.

Using density functional theory in the noncollinear approximation, the behavior of quantum states of hole qubits in a Ge/Co:ZnO system was studied in this work. A detailed analysis of the electronic structure and the distribution of total charge density and hole states was carried out. It was shown that in the presence of holes, the energetically more favorable quantum state is the state |0˃, in contrast to the state |1˃ when there is no hole in the system.

Photoprocesses in Derivatives of 1,4- and 1,3-Diazadistyryldibenzenes.

Photoprocesses in 1,4-diazadistyrylbenzene () and 1,3-diazadistyrylbenzene derivative () diperchlorates in MeCN were studied by absorption, luminescence, and kinetic laser spectroscopies. For compound , -photoisomerization and intersystem crossing to a triplet state are observed. For compound , photoelectrocyclization is suggested.

DFT Analysis of Hole Qubits Spin State in Germanium Thin Layer.

Due to the presence of a strong spin-orbit interaction, hole qubits in germanium are increasingly being considered as candidates for quantum computing. These objects make it possible to create electrically controlled logic gates with the basic properties of scalability, a reasonable quantum error correction, and the necessary speed of operation. In this paper, using the methods of quantum-mechanical calculations and considering the non-collinear magnetic interactions, the quantum states of the system 2D structure of Ge in the presence of even and odd numbers of holes were investigated.