scholarly journals Theoretical evidence for the direct 3MLCT-HS deactivation in the light-induced spin crossover of Fe(ii)–polypyridyl complexes

2018 ◽  
Vol 20 (4) ◽  
pp. 2351-2355 ◽  
Author(s):  
Carmen Sousa ◽  
Miquel Llunell ◽  
Alex Domingo ◽  
Coen de Graaf
Keyword(s):  
Spin Crossover ◽  
Second Order ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Polypyridyl Complexes ◽  
Structural Distortions ◽  
Theoretical Evidence

Second-order spin–orbit coupling and structural distortions activate the 3MLCT–5T2 deactivation in Fe(ii)–polypyridyl complexes.

scholarly journals Interplay of spin–orbit coupling and lattice distortion in metal substituted 3D tri-chloride hybrid perovskites

2015 ◽  
Vol 3 (17) ◽  
pp. 9232-9240 ◽  
Author(s):  
C. Katan ◽  
L. Pedesseau ◽  
M. Kepenekian ◽  
A. Rolland ◽  
J. Even
Keyword(s):  
Lattice Distortion ◽  
Band Gaps ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Many Body ◽  
Structural Distortions ◽  
Many Body Effects

Metal and halogen substitution in hybrid perovskites reveals the interplay between spin–orbit coupling, structural distortions and many-body effects controlling band-gaps.

A theoretical study of the 14N and 17O N.M.R. shifts in lanthanide complexes

1972 ◽  
Vol 25 (12) ◽  
pp. 2577 ◽  
Author(s):  
RM Golding ◽  
MP Halton
Keyword(s):  
Hyperfine Interaction ◽  
Lanthanide Complexes ◽  
Theoretical Study ◽  
Second Order ◽  
Orbit Coupling ◽  
Order Perturbation ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Lanthanide Ion ◽  
Isotropic Hyperfine Interaction

The experimental 14N and 17O n.m.r, results in a series of lanthanide complexes are successfully interpreted from a second-order perturbation treatment of the calculation of (S2), where bonding effects and spin-orbit coupling mixing are incorporated. The isotropic hyperfine interaction constants are shown to be negative for 14N and positive for 17O but both independent of the particular lanthanide ion. We also confirm that the 4f orbitals are not involved in direct bonding with the ligands.

Spin–orbit splitting in 2Δ states of diatomic molecules

1969 ◽  
Vol 47 (23) ◽  
pp. 2727-2730 ◽  
Author(s):  
H. Lefebvre-Brion ◽  
N. Bessis
Keyword(s):  
Diatomic Molecules ◽  
Orbit Interaction ◽  
Second Order ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Orbit Splitting ◽  
Spin Orbit Splitting ◽  
Good Agreement

The origin of the splitting of the 2Δ states arising from the σπ2 configuration is studied. For light diatomic molecules, the splitting is shown to arise from the spin–other–orbit interaction which gives a small negative value for the spin–orbit coupling constant A. Non-empirical calculations of A for the 2Δ states of the CH, NH+, and NO molecules are in good agreement with experiment. In heavier molecules, the spin–other–orbit interaction becomes negligible and the second-order spin–orbit effect is dominant.

scholarly journals Intrinsic First and Higher-Order Topological Superconductivity in a Doped Topological Insulator

2021 ◽  
Author(s):  
Harley Scammell ◽  
Julian Ingham ◽  
Max Geier ◽  
Tommy Li
Keyword(s):  
Chemical Potential ◽  
Interaction Strength ◽  
Higher Order ◽  
Second Order ◽  
Orbit Coupling ◽  
Order Topology ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Wave State ◽  
Topological Superconductivity

Abstract We explore higher-order topological superconductivity in an artificial Dirac material with intrinsic spin-orbit coupling. A mechanism for superconductivity due to repulsive interactions – pseudospin pairing – has recently been shown to result in higher-order topology in Dirac systems past a minimum chemical potential [1]. Here we apply this theory through microscopic modelling of a superlattice potential imposed on an inversion symmetric hole-doped semiconductor heterostructure, and extend previous work to include the effects of spin-orbit coupling. We find spin-orbit coupling enhances interaction effects, providing an experimental handle to increase the efficiency of the superconducting mechanism. We find that the phase diagram, as a function of chemical potential and interaction strength, contains three superconducting states – a first-order topological p + ip state, a second-order topological spatially modulated p + iτp state, and a second-order topological extended s-wave state, sτ. We calculate the symmetry-based indicators for the p + iτp and sτ states, which prove these states possess second-order topology. Exact diagonalisation results are presented which illustrate the interplay between the boundary physics and spin orbit interaction. We argue that this class of systems offer an experimental platform to engineer and explore first and higher-order topological superconducting states.

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