Search results for "spin-orbit"
showing 9 items of 19 documents
The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study
2004
The Sm + O chemiionization reaction has been investigated theoretically using a method that allows for correlation and relativistic effects. Potential energy curves have been calculated for several electronic states of SmO and SmO+. Comparison with available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemiionization reaction Sm + O is proposed. The importance of spin–orbit coupling in the excited states of SmO, in allowing this chemiionization reaction to take place, has been revealed by these calculations. This paper shows the metal-plus-oxidant chemiionization reaction.
Double-CO32− Centered [CoII5] Wheel and Modeling of Its Magnetic Properties
2010
A high-spin Co(II) cluster with a rare pentagonal molecular structure and formula [Co(5)(CO(3))(2)(bpp)(5)]ClO(4) (1; Hbpp is 2,6-bis(phenyliminomethyl)-4-methylphenolate) has been synthesized and characterized by single-crystal X-ray diffraction. This topology arises from fusing five [Co(2)(bpp)] moieties in a cyclic manner around two CO(3)(2-) central ligands, resulting in propeller-like configuration. The irregular coordination of the carbonate ions to the metal centers results in a combination of coordination numbers (CNs) of the Co(II) ions of five and six. The bulk magnetization of this complicated magnetically exchanged system has been modeled successfully by employing a matrix diago…
Intrinsic spin-orbit interaction in diffusive normal wire Josephson weak links: Supercurrent and density of states
2015
We study the effect of the intrinsic (Rashba or Dresselhaus) spin-orbit interaction in superconductor--nanowire--superconductor (SNS) weak links in the presence of a spin-splitting field that can result either from an intrinsic exchange field or the Zeeman effect of an applied field. We solve the full non-linear Usadel equations numerically and analyze the resulting supercurrent through the weak link and the behavior of the density of states in the center of the wire. We point out how the presence of the spin-orbit interaction gives rise to a long-range spin triplet supercurrent, which remains finite even in the limit of very large exchange fields. In particular, we show how rotating the fi…
Intrinsic spin-orbit interaction in diffusive normal wire Josephson weak links: Supercurrent and density of states
2016
We study the effect of the intrinsic (Rashba or Dresselhaus) spin-orbit interaction in superconductor–nanowire–superconductor (SNS) weak links in the presence of a spin-splitting field that can result either from an intrinsic exchange field or the Zeeman effect of an applied field. We solve the full nonlinear Usadel equations numerically [The code used for calculating the results in this paper is available in https://github.com/wompo/Usadel-for-nanowires] and analyze the resulting supercurrent through the weak link and the behavior of the density of states in the center of the wire. We point out how the presence of the spin-orbit interaction gives rise to a long-range spin triplet supercurr…
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems
2018
The field of molecular magnetism studies the magnetic properties of molecular systems as opposed to conventional metal-based magnets. The high chemical modifiability of the constituting molecules makes such materials highly versatile, and the small size of the building blocks leads to the rise of various quantum mechanical phenomena, such as tunneling and entanglement. These phenomena can then be further utilized in the construction of nanoscale quantum devices. This dissertation describes computational and theoretical studies in the field of molecular magnetism using state-of-the-art quantum chemical methods based on ab initio multireference approaches and broken symmetry density functional t…
Exotic Spin-Orbital Physics in Hybrid Oxides
2016
We compare the effective spin-orbital super\-exchange triggered by magnetic $3d$ impurities with $d^3$ and $d^2$ configurations and either no orbital degree of freedom (orbital dilution) or hole replacing a doublon (charge dilution) in a $4d^4$ Mott insulator with $S=1$ spins. Impurities causing orbital dilution act either as spin defects decoupled from the surrounding ions, or generate orbital polarons along $d^3$-$d^4$ hybrid bonds. The exchange on these bonds determines which orbital is occupied by a doublon on the host site. In case of charge dilution by $3d^2$ impurities additional $\propto T_i^+T_j^+$ terms arise which enhance orbital fluctuations. We show that such terms may radicall…
Finite-frequency spin susceptibility and spin pumping in superconductors with spin-orbit relaxation
2020
Static spin susceptibility of superconductors with spin-orbit relaxation has been calculated in the seminal work of A.A. Abrikosov and L.P. Gor'kov [Sov. Phys. JETP, {\bf 15}, 752 (1962)]. Surprisingly the generalization of this result to finite frequencies has not been done despite being quite important for the modern topic of superconducting spintronics. The present paper fills this gap by deriving the analytical expression for spin susceptibility. The time-dependent spin response is shown to be captured by the quasiclassical Eilenberger equation with collision integrals corresponding to the ordinary and spin-orbit scattering. Using the developed formalism we study the linear spin pumping…
The resonant state at filling factor {\nu} = 1/2 in chiral fermionic ladders
2017
Helical liquids have been experimentally detected in both nanowires and ultracold atomic chains as the result of strong spin-orbit interactions. In both cases the inner degrees of freedom can be considered as an additional space dimension, providing an interpretation of these systems as synthetic ladders, with artificial magnetic fluxes determined by the spin-orbit terms. In this work, we characterize the helical state which appears at filling $\nu=1/2$: this state is generated by a gap arising in the spin sector of the corresponding Luttinger liquid and it can be interpreted as the one-dimensional (1D) limit of a fractional quantum Hall state of bosonic pairs of fermions. We study its main…
Structure and dynamics in liquid bismuth and Bin clusters: A density functional study
2014
Density functional/molecular dynamics simulations with more than 500 atoms have been performed on liquid bismuth at 573, 773, 923, and 1023 K and on neutral Bi clusters with up to 14 atoms. There are similar structural patterns (coordination numbers, bond angles, and ring patterns) in the liquid and the clusters, with significant differences from the rhombohedral crystalline form. We study the details of the structure (structure factor, pair, and cavity distribution functions) and dynamical properties (vibration frequencies, diffusion constants, power spectra), and compare with experimental results where available. While the three short covalent bonds typical to pnictogens are characteristi…