Investigation of electronic structure and anisotropy of the Lamb-Mössbauer factor in ZnF2 single crystals

M. Steiner; M. Köfferlein; W. Potzel; H. Karzel; W. Schiessl; G. M. Kalvius; D. W. Mitchell; N. Sahoo; H. H. Klauss; T. P. Das; R. S. Feigelson; G. Schmidt

doi:10.1007/BF02072892

Investigation of electronic structure and anisotropy of the Lamb-Mössbauer factor in ZnF₂ single crystals

M. Steiner, M. Köfferlein, W. Potzel, H. Karzel, W. Schiessl, G. M. Kalvius, D. W. Mitchell, N. Sahoo, H. H. Klauss, T. P. Das, R. S. Feigelson, G. Schmidt

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3 Scopus citations

Abstract

Using the 93.3 keV resonance in⁶⁷Zn the isomer shift, the quadrupole interaction, and the anisotropy of the Lamb-Mössbauer factor (LMF) in ZnF₂ single crystals have been investigated. The main component of the electric field gradient (efg) tensor V_zz=+(2.18+-0.22)×10¹⁷V/cm² and η=0.29±0.03 are derived. V_zz is oriented perpendicular to the crystallographic c axis. The anisotropy of the LMF is large:f_x=(2.4±0.1)%, f_y=(2.3±0.2)%, and f_z=(1.4±0.2)%. Ab initio Hartree-Fock cluster calculations gave a detailed description of the observed charge distribution including the orientation of the efg tensor. Using a force constant model (shell model), we solved the eigenvalue problem of the dynamic matrix and quantitatively reproduced the anisotropy of the LMF.

Original language	English (US)
Pages (from-to)	1453-1458
Number of pages	6
Journal	Hyperfine Interactions
Volume	93
Issue number	1
DOIs	https://doi.org/10.1007/BF02072892
State	Published - Dec 1994
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Nuclear and High Energy Physics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1007/BF02072892

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@article{65e1ce31fd534a7a98e66047be69849f,

title = "Investigation of electronic structure and anisotropy of the Lamb-M{\"o}ssbauer factor in ZnF2 single crystals",

abstract = "Using the 93.3 keV resonance in67Zn the isomer shift, the quadrupole interaction, and the anisotropy of the Lamb-M{\"o}ssbauer factor (LMF) in ZnF2 single crystals have been investigated. The main component of the electric field gradient (efg) tensor Vzz=+(2.18+-0.22)×1017V/cm2 and η=0.29±0.03 are derived. Vzz is oriented perpendicular to the crystallographic c axis. The anisotropy of the LMF is large:fx=(2.4±0.1)%, fy=(2.3±0.2)%, and fz=(1.4±0.2)%. Ab initio Hartree-Fock cluster calculations gave a detailed description of the observed charge distribution including the orientation of the efg tensor. Using a force constant model (shell model), we solved the eigenvalue problem of the dynamic matrix and quantitatively reproduced the anisotropy of the LMF.",

author = "M. Steiner and M. K{\"o}fferlein and W. Potzel and H. Karzel and W. Schiessl and Kalvius, {G. M.} and Mitchell, {D. W.} and N. Sahoo and Klauss, {H. H.} and Das, {T. P.} and Feigelson, {R. S.} and G. Schmidt",

year = "1994",

month = dec,

doi = "10.1007/BF02072892",

language = "English (US)",

volume = "93",

pages = "1453--1458",

journal = "Hyperfine Interactions",

issn = "0304-3834",

publisher = "Springer Netherlands",

number = "1",

}

TY - JOUR

T1 - Investigation of electronic structure and anisotropy of the Lamb-Mössbauer factor in ZnF2 single crystals

AU - Steiner, M.

AU - Köfferlein, M.

AU - Potzel, W.

AU - Karzel, H.

AU - Schiessl, W.

AU - Kalvius, G. M.

AU - Mitchell, D. W.

AU - Sahoo, N.

AU - Klauss, H. H.

AU - Das, T. P.

AU - Feigelson, R. S.

AU - Schmidt, G.

PY - 1994/12

Y1 - 1994/12

N2 - Using the 93.3 keV resonance in67Zn the isomer shift, the quadrupole interaction, and the anisotropy of the Lamb-Mössbauer factor (LMF) in ZnF2 single crystals have been investigated. The main component of the electric field gradient (efg) tensor Vzz=+(2.18+-0.22)×1017V/cm2 and η=0.29±0.03 are derived. Vzz is oriented perpendicular to the crystallographic c axis. The anisotropy of the LMF is large:fx=(2.4±0.1)%, fy=(2.3±0.2)%, and fz=(1.4±0.2)%. Ab initio Hartree-Fock cluster calculations gave a detailed description of the observed charge distribution including the orientation of the efg tensor. Using a force constant model (shell model), we solved the eigenvalue problem of the dynamic matrix and quantitatively reproduced the anisotropy of the LMF.

AB - Using the 93.3 keV resonance in67Zn the isomer shift, the quadrupole interaction, and the anisotropy of the Lamb-Mössbauer factor (LMF) in ZnF2 single crystals have been investigated. The main component of the electric field gradient (efg) tensor Vzz=+(2.18+-0.22)×1017V/cm2 and η=0.29±0.03 are derived. Vzz is oriented perpendicular to the crystallographic c axis. The anisotropy of the LMF is large:fx=(2.4±0.1)%, fy=(2.3±0.2)%, and fz=(1.4±0.2)%. Ab initio Hartree-Fock cluster calculations gave a detailed description of the observed charge distribution including the orientation of the efg tensor. Using a force constant model (shell model), we solved the eigenvalue problem of the dynamic matrix and quantitatively reproduced the anisotropy of the LMF.

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U2 - 10.1007/BF02072892

DO - 10.1007/BF02072892

M3 - Article

AN - SCOPUS:2842564346

SN - 0304-3834

VL - 93

SP - 1453

EP - 1458

JO - Hyperfine Interactions

JF - Hyperfine Interactions

IS - 1

ER -

Investigation of electronic structure and anisotropy of the Lamb-Mössbauer factor in ZnF₂ single crystals

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