ENDOR and transferred spin densities of the 4f<sup>13</sup>ions in fluorides

Anikeenok, O. A.; Erëmin, M. V.; Falin, M. L.; Meiklyar, V. P.

doi:10.1088/0022-3719/15/7/021

Cited by 17 publications

(20 citation statements)

References 17 publications

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“…6). The theoretical evaluation of the THFI parameters was based on the mechanisms of bonding IREI-ligands developed in [1][2][3][4][5]. The Ag"'> were not calculated theoretically because numerical data on the Stark structure of the H 1512 term in the octahedral crystalline field were absent.…”

Section: Analysis and Discussionmentioning

confidence: 99%

“…The Ag"'> were not calculated theoretically because numerical data on the Stark structure of the H 1512 term in the octahedral crystalline field were absent. The electron transfer energies, the radial 5s-, 5d-functions and 5d-, 6s-, 6p-functions, the 4f-5d and 4f-6s interaction parameters necessary for the calculations were taken from [8], [ 19], and [20], respectively. The overlap integrals were evaluated with HartreeFock wavefunctions of Dy 3 + [21] and the fluorine functions [22].…”

Section: Analysis and Discussionmentioning

confidence: 99%

“…The experimental THFI parameters are given in Table 2 parison the results for Dy 3 + in KMgF 3 [8] are also given in the same table. The absolute signs of the THFI parameters for the first fluorine shell were obtained according to [14].…”

Section: Methodsmentioning

confidence: 98%

“…The theory developed in [1][2][3][4][5] enabled us to take into account in a simple way the contribution to THFI due to polarization of the 5s and 5p shells of IREI not only for the S-state ions (4f' -Gd= ' + , Eu2 +), but, for the first time, also for other configurations as well (4f" -Era [4,6], 4f 13 -Yb3 + [ 6,7]). An important aspect in the theoretical description of the experimental results of THFI is the determination of the actual distances between the IREI and the ligands.…”

Section: Introductionmentioning

confidence: 99%

“…These problems were studied in this work where the experimental and theoretical study of THFI of the cubic centre Dy 3 + in a single crystal KZnF 3 was carried out. Previously we have studied THFI of Dy3 + in KMgF3 [8]. This investigation cannot be considered as complete because of insufficient experimental data (due to the absence of the signals from the 19 F nuclei of the distant coordination shells it was impossible to estimate the distance between Dy 3 + and F -), and the absence, at that time, of a method for taking into account the polarization contribution to THFI for the 4f 9 -configuration.…”

Section: Introductionmentioning

confidence: 99%

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Electron nuclear double resonance of the cubic Dy3+ center in the KZnF3 single crystal

et al. 1998

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ENDOR measurements on the 19F -nuclei in the first four shells of KZnF 3 containing Dy'+ ions in the cubic site are reported. The values and signs of the hyperfine and transferred hyperfine interaction parameters are determined. The local deformation of the crystal lattice in the vicinity of the impurity ion is estimated. The theoretical analysis of the THFI parameters for the first coordination shell of the F -ions has been carried out. For the Dy3 + ion the influence of spin polarization of the closed 5s and 5p shells is considered for the first time. Spin polarization is shown to play a significant role in the mechanisms of rare-earth ion-ligand coupling.

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Section: Analysis and Discussionmentioning

confidence: 99%

Section: Analysis and Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Electron nuclear double resonance of the cubic Dy3+ center in the KZnF3 single crystal

et al. 1998

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Endor Spectroscopy

Kispert

Piekara-Sady

Handbook of Applied Solid State Spectroscopy

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To understand what electron nuclear double resonance (ENDOR) transitions are, let us consider the energy levels of a system containing one unpaired electron (S = ½) and one nuclear spin (I = ½), as in a hydrogen atom. Since the electron spin and nuclear spin can each be oriented with or against the external magnetic field, there are four possible energy levels as shown in Figure 4.1. The two electron spin eigenfunctions are denoted by e and e , whereas the two nuclear spin wavefunctions are denoted n and n . In the presence of a large external applied field, the selection rule in electron paramagnetic resonance (EPR) is that the electron flips (changes directions) but the nuclear spin does not flip in an EPR transition. Thus, in Figure 4.1, an EPR transition will occur between energy levels 1 and 4 and a second EPR transitions will occur between energy levels 2 and 3. The intensity of the transition between energy levels 1 and 4 will depend on the population differences of these two energy levels. If one then applies a nuclear frequency to the system, which corresponds to either the energy difference between levels 4 and 3 or the difference between lines 2 and 1, one will induce nuclear spin flip that will change the populations in energy levels 4 and 1, respectively. This changes the intensity of the observed EPR signal. This change in intensity is referred to as the ENDOR response. Figure 4.1 Energy diagram for S = 1/2 and I = 1/2.

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Hamiltonian of crystalline field in an approximation of strong configuration interaction

Корниенко¹,

Дунина²,

Yankevich³

1996

J Appl Spectrosc

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ENDOR and transferred spin densities of the 4f¹³ions in fluorides

Cited by 17 publications

References 17 publications

Electron nuclear double resonance of the cubic Dy3+ center in the KZnF3 single crystal

Electron nuclear double resonance of the cubic Dy3+ center in the KZnF3 single crystal

Endor Spectroscopy

Hamiltonian of crystalline field in an approximation of strong configuration interaction

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ENDOR and transferred spin densities of the 4f13ions in fluorides

Cited by 17 publications

References 17 publications

Electron nuclear double resonance of the cubic Dy3+ center in the KZnF3 single crystal

Electron nuclear double resonance of the cubic Dy3+ center in the KZnF3 single crystal

Endor Spectroscopy

Hamiltonian of crystalline field in an approximation of strong configuration interaction

Contact Info

Product

Resources

About

ENDOR and transferred spin densities of the 4f¹³ions in fluorides