Theoretical Study on the Contacting Interface-Dependent Band Alignments of CsPbBr3@MoS2 van der Waals Heterojunctions: Spin–Orbit Coupling Does Matter

2021 ◽  
Author(s):  
Dong-Hui Xu ◽  
Jun-Feng Liu ◽  
Xu-Jiang Wan ◽  
Xiang-Yang Liu ◽  
Ganglong Cui ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Van Der Waals ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Band Alignments

Laser cooling of copper monofluoride: a theoretical study including spin–orbit coupling

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100568-100576 ◽  
Author(s):  
Mingkai Fu ◽  
Jianwei Cao ◽  
Haitao Ma ◽  
Wensheng Bian
Keyword(s):  
Laser Cooling ◽  
Theoretical Study ◽  
Branching Ratios ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Radiative Lifetimes

A laser cooling scheme is proposed for CuF by including the spin–orbit coupling effects, and based on our calculated radiative lifetimes and vibrational branching ratios.

scholarly journals Van Der Waals Heterostructures with Spin‐Orbit Coupling

2019 ◽  
Vol 532 (2) ◽  
pp. 1900344 ◽  
Author(s):  
Enrico Rossi ◽  
Christopher Triola
Keyword(s):  
Van Der Waals ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Van Der Waals Heterostructures

Theoretical Study on the Spectroscopic Parameters and Transition Properties of MgH Radical Including Spin-orbit Coupling

2016 ◽  
Vol 33 (6) ◽  
pp. 063102 ◽  
Author(s):  
Dong-Lan Wu ◽  
Bin Tan ◽  
Xue-Feng Zeng ◽  
Hui-Jun Wan ◽  
An-Dong Xie ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Spectroscopic Parameters

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.

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