Spectroscopic constants and anharmonic force field of dithioformic acid and its isomers: a theoretical study.

The potential astronomical interest dithioformic acid (trans-HC(= S)SH) exists five isomers and has received considerable attention of astronomical observation in recent years. The different positions of H atoms of five isomers lead to diverse point groups, dipole moments, and spectroscopic constants. The anharmonic force field and spectroscopic constants of them are calculated using CCSD(T) and B3LYP employing correlation consistent basis sets. Molecular structures, dipole moments, rotational constants, and fundamental frequencies of trans-HC(= S)SH are compared with the available experimental data. The B3LYP/Gen = 5 and CCSD(T)/Gen = Q results can reproduce them well. Molecular structures, dipole moments, relative energies, spectroscopic constants of cis-HC(= S)SH, and dithiohydroxy carbene (DTHC) are also calculated. The new data obtained in this study are expected to guide the future high resolution experimental work and to assist astronomical search for CH2S2.

Magnetic phase diagram of CrPS4 and its exchange interaction in contact with NiFe.

The magnetic phase diagram of the two-dimensional van der Waals magnet CrPS4 and the exchange bias effect of CrPS4 in contact with NiFe film have been investigated. Based on the magnetic measurements, we figure out the relatively low spin-flop field and spin-flip field for CrPS4, both of the spin transition phenomena are strongly affected by the temperature. The perpendicular exchange bias effect is studied in CrPS4 single-crystal flake covered with 5 nm NiFe. Meanwhile, the variation of the cooling field has a great influence on the exchange bias field and coercivity, which is mainly attributed to the competition between the Zeeman energy and the exchange coupling at the interface as well as the formation of the multi-domain state.

Spin switching temperature modulated by the magnetic field and spontaneous exchange bias effect in single crystal SmFeO3.

The spin switching and exchange bias effect were investigated in the rare earth orthoferrite SmFeO3 composed of two antiferromagnetically coupled sublattices Sm3+ and Fe3+ with canted ferromagnetic moments and a temperature induced spin switching in single crystal SmFeO3 was observed. The spin switching temperature was found to be modulated by exerting different magnetic fields below the compensation temperature ([Formula: see text]). This effect could be explained as the changes of energy barrier related to the magnetization direction under different magnetic fields. In the meantime, the coercivity displayed strong dependence on the maximum applied magnetic fields in the hysteresis measurement. In addition, spontaneous exchange bias effect (EB) was observed with the largest EB field value of 1.2 T, and the EB field changed its sign across the compensation point. Our results indicate that the magnetic properties of SmFeO3 can be strongly affected and controlled by the temperature or the applied magnetic field during the measurement process, and it might lead to novel applications in magneto-optics, ultrafast switching, and magnetic sensing devices.