Electron-electron interaction and antishielding constants of core shells of atoms

Gusev, Alexander; Reznik, I. M.; Tsitrin, V.

doi:10.1088/0953-8984/7/25/010

Cited by 12 publications

(4 citation statements)

References 26 publications

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“…Density functional calculations would be useful to predict the extent of lattice relaxation and the EFG, but we can make some rough estimates based on the level crossing resonances of O-site 8 Li + and µ + in isostructural Cu, where the quadrupole interaction is ∼ 0.6 MHz [3] and ∼ 0.5 MHz [8], respectively. The combination of larger Q and Sternheimer antishielding factor [7] for Au suggests the quadrupole interaction will be about 10× larger, in the range of several MHz [9]. The next largest terms [10] are the Zeeman interaction with the applied field, which ranges from 2 to 95 kHz and 0.2 to 11.0 kHz for 8 Li and 197 Au, respectively.…”

Section: Discussionmentioning

confidence: 99%

The Spin Relaxation of ⁸Li⁺ in Gold at Low Magnetic Field

MacFarlane

Chow

Hossain

et al. 2018

Proceedings of the 14th International Conference on Muon Spin Rotation, Relaxation and Resonance (ΜSR2017)

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Here we report the temperature and applied magnetic field dependence of the spin lattice relaxation of 8 Li + implanted into Au foil in the range 4 to 290 K and 3 to 150 G. Below about 50 G, relaxation due to the dynamic host lattice 197 Au nuclear spins is important, becoming dominant below 20 G. At 150 G, this process is quenched, and the relaxation is Korringa-like. We report the first measurement of its temperature dependence which shows the characteristic features of the site change around 190 K. At lower field the relaxation is two component above 100 K and exhibits a strong peak at the site change, which we attribute to quadrupolar relaxation of the adjacent Au spins. We discuss the ingredients required for a quantitative theory of the low field relaxation.

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Section: Discussionmentioning

confidence: 99%

The Spin Relaxation of ⁸Li⁺ in Gold at Low Magnetic Field

MacFarlane

Chow

Hossain

et al. 2018

Proceedings of the 14th International Conference on Muon Spin Rotation, Relaxation and Resonance (ΜSR2017)

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“…14 Table 1 provides a list of 75 As and 11 B NMR properties relevant to this study. Arsenic-75 has a moderate nuclear electric quadrupole moment and a fairly large Sternheimer antishielding factor (γ ∞ = −7.09) 15 which leads to generally large nuclear quadrupolar coupling constants (e.g., values on the order of 100 MHz or larger are common). 16−24 The muonic Q( 75 As) = 30.0(50) fm 2 currently recommended by IUPAC 25 is believed to be less precise than Q( 75 As) = 31.1(2) fm 2 , recently determined from microwave spectroscopic data for AsP 16 and coupled-cluster calculations performed at the CCSD(T) level of theory.…”

Section: ■ Backgroundmentioning

confidence: 99%

Spin–Spin Coupling between Quadrupolar Nuclei in Solids: ¹¹B–⁷⁵As Spin Pairs in Lewis Acid–Base Adducts

2015

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Solid-state (11)B NMR measurements of Lewis acid-base adducts of the form R3AsBR'3 (R = Me, Et, Ph; R' = H, Ph, C6F5) were carried out at several magnetic field strengths (e.g., B0 = 21.14, 11.75, and 7.05 T). The (11)B NMR spectra of these adducts exhibit residual dipolar coupling under MAS conditions, allowing for the determination of effective dipolar coupling constants, Reff((75)As,(11)B), as well as the sign of the (75)As nuclear quadrupolar coupling constants. Values of Reff((75)As,(11)B) range from 500 to 700 Hz. Small isotropic J-couplings are resolved in some cases, and the sign of (1)J((75)As,(11)B) is determined. Values of CQ((75)As) measured at B0 = 21.14 T for these triarylborane Lewis acid-base adducts range from -82 ± 2 MHz for Et3AsB(C6F5)3 to -146 ± 1 MHz for Ph3AsBPh3. For Ph3AsBH3, two crystallographically nonequivalent sites are identified with CQ((75)As) values of -153 and -151 ± 1 MHz. For the uncoordinated Lewis base, Ph3As, four (75)As sites with CQ((75)As) values ranging from 193.5 to 194.4 ± 2 MHz are identified. At these applied magnetic field strengths, the (75)As quadrupolar interaction does not satisfy high-field approximation criteria, and thus, an exact treatment was used to describe this interaction in (11)B and (75)As NMR spectral simulations. NMR parameters calculated using the ADF and CASTEP program packages support the experimentally derived parameters in both magnitude and sign. These experiments add to the limited body of literature on solid-state (75)As NMR spectroscopy and serve as examples of spin-spin-coupled quadrupolar spin pairs, which are also rarely treated in the literature.

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“…The PAC efg for the 111 Cd probe (B-site) can not directly be compared with the theory, because Cd is an impurity. Therefore we used a Sternheimer correction with factors 1À 1 ð Þ¼12 for Cr 3+ and 25.4 for Cd 2+ [8], respectively. The corrected (corr.)…”

Section: Theory Of Hyperfine Fieldsmentioning

confidence: 99%

The Ferromagnetic Semiconductor HgCr2Se4 as Investigated with Different Nuclear Probes by the PAC Method

et al. 2005

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The hyperfine interactions of six different PAC (perturbed angular correlations) probes in the ferromagnetic spinel semiconductor HgCr 2 Se 4 have been investigated. Thereby the site occupation of the probes was determined and opposed to that in other comparable substances. All of the three lattice sites could be tested. Theoretically calculated hyperfine fields (WIEN97) were compared with the experimental values.

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Electron-electron interaction and antishielding constants of core shells of atoms

Cited by 12 publications

References 26 publications

The Spin Relaxation of ⁸Li⁺ in Gold at Low Magnetic Field

The Spin Relaxation of ⁸Li⁺ in Gold at Low Magnetic Field

Spin–Spin Coupling between Quadrupolar Nuclei in Solids: ¹¹B–⁷⁵As Spin Pairs in Lewis Acid–Base Adducts

The Ferromagnetic Semiconductor HgCr2Se4 as Investigated with Different Nuclear Probes by the PAC Method

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Electron-electron interaction and antishielding constants of core shells of atoms

Cited by 12 publications

References 26 publications

The Spin Relaxation of 8Li+ in Gold at Low Magnetic Field

The Spin Relaxation of 8Li+ in Gold at Low Magnetic Field

Spin–Spin Coupling between Quadrupolar Nuclei in Solids: 11B–75As Spin Pairs in Lewis Acid–Base Adducts

The Ferromagnetic Semiconductor HgCr2Se4 as Investigated with Different Nuclear Probes by the PAC Method

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The Spin Relaxation of ⁸Li⁺ in Gold at Low Magnetic Field

The Spin Relaxation of ⁸Li⁺ in Gold at Low Magnetic Field

Spin–Spin Coupling between Quadrupolar Nuclei in Solids: ¹¹B–⁷⁵As Spin Pairs in Lewis Acid–Base Adducts