Crystal Field Handbook 2000
DOI: 10.1017/cbo9780511524295.003
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Crystal field splitting mechanisms

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Cited by 59 publications
(165 citation statements)
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“…This mechanism was already proposed in HoMn 2 O 5 and Tb 3 Fe 5 O 12 from FIR measurements [30,31]. In order to test the validity of this scenario in ErMnO 3 , the Er 3+ (J=15/2) CF levels were calculated using a point charge model [32,33], taking into account the 7 O 2− closer neighbors of the two Er sites, with screening factors [34], fitted to recover the experimentally identified CF levels. The influence of a magnetic field was also computed to account for the splitting of the CF levels due to the coupling of the Er 4b with the Mn.…”
mentioning
confidence: 90%
“…This mechanism was already proposed in HoMn 2 O 5 and Tb 3 Fe 5 O 12 from FIR measurements [30,31]. In order to test the validity of this scenario in ErMnO 3 , the Er 3+ (J=15/2) CF levels were calculated using a point charge model [32,33], taking into account the 7 O 2− closer neighbors of the two Er sites, with screening factors [34], fitted to recover the experimentally identified CF levels. The influence of a magnetic field was also computed to account for the splitting of the CF levels due to the coupling of the Er 4b with the Mn.…”
mentioning
confidence: 90%
“…The present experimental levels were fitted with the standard single-ion Hamiltonian that accounts for free-ion and crystal-field interactions (see [8] for definitions), which was diagonalized within the full 4f 8 configuration basis states: F term, only three out of the twenty free-ion parameters were allowed to freely vary during the fitting procedure: E av (a constant energy term which sets the barycentre for the whole configuration), ζ (the spin-orbit coupling, which splits the 7 F spectroscopic term into seven J manifolds), and F 2 (to adjust the gap separating the 7 F and the 5 D terms). The other free-ion parameters were kept fixed at the literature values for Tb 3+ in LaCl 3 [9].…”
Section: Resultsmentioning
confidence: 99%
“…Hermiticy and time-reversal invariance allow only even rank k operators. Since rank k = 0 does not produce any crystal field splitting, only rank k = 2, 4 and 6 are considered for CFP analysis [31]. To fit CFPs to our experimental data requires the calculation of energy levels from an initial estimate of CFPs.…”
Section: Crystal Field Parameter Fittingmentioning
confidence: 99%
“…However, these parameters do not in themselves give a direct insight into the mechanisms of the crystal field splitting [36]. The rank 4 CFPs are dominated by covalency and closely related overlap contributions [31]. The crystal structure of silicon is the same as that of diamond with tetrahedrally coordinated Si atoms with cubic symmetry and O h point group and Fd3m space group with a unit cell dimension of 5.431 Ǻ and an equilibrium distance between Si atoms of 2.352 Ǻ.…”
Section: Interpretation Of Crystal Field Parametersmentioning
confidence: 99%
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