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[en] Highlights: • The interfacial spin polarization are modulated by the interfacial angle. • Spin polarization is determined by pz-d hybridization and sp3-d hybridization. • Angle dependence of pz-d hybridization and sp3-d hybridization is revealed. Based on ab initio theory, we theoretically investigated the interfacial spin polarization by adsorbing a benzene-dithiolate molecule onto a nickel surface with different interfacial angles. A variable magnitude and even an inversion of the interfacial spin polarization are observed with the increase of the interfacial angle. The orbital analysis shows that the interfacial spin polarization is codetermined by two kinds of orbital hybridization between the molecule and the ferromagnet, the pz-d hybridization and the sp3-d hybridization, which show different dependence on the angle. These results indicate a new way to manipulate the spin polarization at organic spinterface.
[en] A review of the thermodynamic properties of macroscopic quantum systems is given from the unified point of view provided by the Quantum Theorem of Corresponding States. These results are used to predict and discuss the thermodynamic properties of spin-polarized quantum systems
[en] It is shown that the Rashba spin–orbit coupling induces the spatially nonuniform spin state in the square-shaped 1D wire. The electron states of this type are characterized with spin orientation changing according to the harmonic motion along the square side. The period of the oscillation is determined only by the spin–orbital coupling and the hopping parameters ratio. The modulation of spin orientation is caused by step-like changing of Rashba field direction. The obtained results were generalized on the case of polygon-shaped wire.
[en] The unpolarized state of fermions is defined as one which does not change in rotations in the spin space. It is shown that, for a fermion field with a specified value of momentum of particles, the density operator is of the form, rho = (1-2a-b)|0,0><0,0| + a(|1,0><1,0| + |0,1><0,1|) + b|1,1><1,1|, where |n1, n2> is the occupation number state having occupancies n1 and n2 in the two spin modes, and a and b are positive quantities which are less than one and give 1-2a-b>=0. (author)
[en] Highlights: • Both Al and Nb vacancies could induce ferromagnetism in Sr2AlNbO6. • Ferromagnetism driven by Al vacancy originates from the 2px state of nearest O atoms. • Ferromagnetism induced by Nb vacancy comes from 2py and 2pz states of nearest O atoms. • Sr2AlNbO6 with O vacancy is energetically more favorable than with others. - Abstract: Based on first-principles calculation the change of structural, energetic, magnetic and electronic properties of double perovskite oxide Sr2AlNbO6 is investigated by introducing intrinsic vacancies. Calculated results show that although both Al and Nb vacancies could induce ferromagnetism the nature of induced ferromagnetism is different. Ferromagnetism driven by Al vacancies originates from the remarkably spin-polarized 2px state of nearest O atoms, whereas that induced by Nb vacancy mainly comes from the partially filled spin-polarized 2py and 2pz states of nearest O atoms. Sr2AlNbO6 with O vacancy is nonmagnetic but energetically more favorable than that with the other three vacancies