Zinc phosphide (Zn3P2) spin-orbit and crystal field splitting energies

2005 ◽  
pp. 1-2
Author(s):  
Keyword(s):  
Crystal Field ◽  
Zinc Phosphide ◽  
Crystal Field Splitting ◽  
Spin Orbit ◽  
Field Splitting

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

2018 ◽  
Vol 112 (7) ◽  
pp. 071903 ◽  
Author(s):  
Nicolas Chauvin ◽  
Amaury Mavel ◽  
Ali Jaffal ◽  
Gilles Patriarche ◽  
Michel Gendry
Keyword(s):  
Crystal Field ◽  
Orbit Coupling ◽  
Crystal Field Splitting ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Field Splitting

scholarly journals Excitonic magnetism at the intersection of spin-orbit coupling and crystal-field splitting

2020 ◽  
Vol 2 (3) ◽  
Author(s):  
Teresa Feldmaier ◽  
Pascal Strobel ◽  
Michael Schmid ◽  
Philipp Hansmann ◽  
Maria Daghofer
Keyword(s):  
Crystal Field ◽  
Orbit Coupling ◽  
Crystal Field Splitting ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Field Splitting

Investigation of the multiplet structures and crystal field effects of a TiO6 3d 1 cluster based on configuration interaction calculations

2017 ◽  
Vol 50 (2) ◽  
pp. 576-584 ◽  
Author(s):  
Meng Wu ◽  
Jin-Cheng Zheng ◽  
Hui-Qiong Wang
Keyword(s):  
Charge Transfer ◽  
Crystal Field ◽  
Configuration Interaction ◽  
Local Density ◽  
Orbit Coupling ◽  
Crystal Field Splitting ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Transfer Energy ◽  
Field Splitting

Configuration interaction cluster calculation can effectively reproduce the experimentally measured Ti L 23-edge absorption spectrum for the TiO6 cluster LaTiO3. A further investigation of the hybridization strength and charge-transfer energy effects on the multiplet structures suggests that LaTiO3 should be classified as an intermediate state between the charge-transfer and Mott–Hubbard regimes. Detailed temperature-dependent simulations of absorption spectra support the lifting of Ti t 2g orbital degeneracy and crystal field splitting. The spin–orbit coupling scenario is ruled out, even though 3d spin–orbit coupling can reproduce the experimental spectrum without including temperature. A combined polarization- and crystal-field-splitting-dependent analysis indicates asymmetric ΔCF–orbital interactions for the TiO6 cluster [Ti3+:3d 1(t 2g 1)], different from the orbital–lattice interactions reported for the NiO6 cluster [Ni3+:3d 7(t 2g 6 eg 1)]. The orbital polarization is defined in terms of the normalized electron occupancies in orbitals with xy and xz(yz) symmetries, and nearly complete orbital polarization (more than 75%) is observed, indicating strongly reduced orbital fluctuations due to the correlation effects. This is consistent with the density of states for titanates based on local density approximation plus dynamical mean-field theory calculations.

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