Electric-field gradients at the Zr sites in (formula presented)Measured using perturbed-angular-correlation spectroscopy and calculated using band theory

Arthur Thompson Motta, Stephen E. Cumblidge, Gary L. Catchen, Sergio B. Legoas, Andrea Paesano, Livio Amaral

Research output: Contribution to journalArticle

Abstract

We have measured the electric-field-gradient (EFG) parameters (formula presented) and η and their temperature dependences at the two Zr sites in the intermetallic compound (formula presented) using perturbed-angular-correlation spectroscopy and the probe (formula presented) At temperatures below the peritectic transformation at ≈1158 K, at each Zr site, we observed well-defined EFG’s, characterized by sharp spectral lines. A high-frequency, very asymmetric nuclear electric-quadrupole interaction characterizes the first Zr site, which represents approximately one-third of the probes. A low-frequency, nearly axially symmetric nuclear electric-quadrupole interaction characterizes the second Zr site, which represents approximately two-thirds of the probes. Near and above the peritectic transformation, the results show the effects of the decomposition of (formula presented) into Zr and (formula presented) and subsequent melting. We have compared the values of (formula presented) and η measured at laboratory temperature to those calculated using the first-principles, self-consistent real-space linear muffin-tin atomic sphere approximation (RS-LMTO-ASA) band-theory method. Overall the magnitudes of (formula presented) and η calculated using the RS-LMTO-ASA method agree reasonably well with the experimental values.

Original languageEnglish (US)
Pages (from-to)1-5
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number1
DOIs
StatePublished - Jan 1 2002

Fingerprint

angular correlation
Electric fields
Spectroscopy
gradients
electric fields
spectroscopy
Tin
acetylsalicylic acid
Temperature
Intermetallics
Melting
probes
Decomposition
quadrupoles
very high frequencies
intermetallics
line spectra
tin
melting
interactions

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

@article{60040da03ce74fc4adbc55f1b0caf7bf,
title = "Electric-field gradients at the Zr sites in (formula presented)Measured using perturbed-angular-correlation spectroscopy and calculated using band theory",
abstract = "We have measured the electric-field-gradient (EFG) parameters (formula presented) and η and their temperature dependences at the two Zr sites in the intermetallic compound (formula presented) using perturbed-angular-correlation spectroscopy and the probe (formula presented) At temperatures below the peritectic transformation at ≈1158 K, at each Zr site, we observed well-defined EFG’s, characterized by sharp spectral lines. A high-frequency, very asymmetric nuclear electric-quadrupole interaction characterizes the first Zr site, which represents approximately one-third of the probes. A low-frequency, nearly axially symmetric nuclear electric-quadrupole interaction characterizes the second Zr site, which represents approximately two-thirds of the probes. Near and above the peritectic transformation, the results show the effects of the decomposition of (formula presented) into Zr and (formula presented) and subsequent melting. We have compared the values of (formula presented) and η measured at laboratory temperature to those calculated using the first-principles, self-consistent real-space linear muffin-tin atomic sphere approximation (RS-LMTO-ASA) band-theory method. Overall the magnitudes of (formula presented) and η calculated using the RS-LMTO-ASA method agree reasonably well with the experimental values.",
author = "Motta, {Arthur Thompson} and Cumblidge, {Stephen E.} and Catchen, {Gary L.} and Legoas, {Sergio B.} and Andrea Paesano and Livio Amaral",
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doi = "10.1103/PhysRevB.65.014115",
language = "English (US)",
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}

Electric-field gradients at the Zr sites in (formula presented)Measured using perturbed-angular-correlation spectroscopy and calculated using band theory. / Motta, Arthur Thompson; Cumblidge, Stephen E.; Catchen, Gary L.; Legoas, Sergio B.; Paesano, Andrea; Amaral, Livio.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, No. 1, 01.01.2002, p. 1-5.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Electric-field gradients at the Zr sites in (formula presented)Measured using perturbed-angular-correlation spectroscopy and calculated using band theory

AU - Motta, Arthur Thompson

AU - Cumblidge, Stephen E.

AU - Catchen, Gary L.

AU - Legoas, Sergio B.

AU - Paesano, Andrea

AU - Amaral, Livio

PY - 2002/1/1

Y1 - 2002/1/1

N2 - We have measured the electric-field-gradient (EFG) parameters (formula presented) and η and their temperature dependences at the two Zr sites in the intermetallic compound (formula presented) using perturbed-angular-correlation spectroscopy and the probe (formula presented) At temperatures below the peritectic transformation at ≈1158 K, at each Zr site, we observed well-defined EFG’s, characterized by sharp spectral lines. A high-frequency, very asymmetric nuclear electric-quadrupole interaction characterizes the first Zr site, which represents approximately one-third of the probes. A low-frequency, nearly axially symmetric nuclear electric-quadrupole interaction characterizes the second Zr site, which represents approximately two-thirds of the probes. Near and above the peritectic transformation, the results show the effects of the decomposition of (formula presented) into Zr and (formula presented) and subsequent melting. We have compared the values of (formula presented) and η measured at laboratory temperature to those calculated using the first-principles, self-consistent real-space linear muffin-tin atomic sphere approximation (RS-LMTO-ASA) band-theory method. Overall the magnitudes of (formula presented) and η calculated using the RS-LMTO-ASA method agree reasonably well with the experimental values.

AB - We have measured the electric-field-gradient (EFG) parameters (formula presented) and η and their temperature dependences at the two Zr sites in the intermetallic compound (formula presented) using perturbed-angular-correlation spectroscopy and the probe (formula presented) At temperatures below the peritectic transformation at ≈1158 K, at each Zr site, we observed well-defined EFG’s, characterized by sharp spectral lines. A high-frequency, very asymmetric nuclear electric-quadrupole interaction characterizes the first Zr site, which represents approximately one-third of the probes. A low-frequency, nearly axially symmetric nuclear electric-quadrupole interaction characterizes the second Zr site, which represents approximately two-thirds of the probes. Near and above the peritectic transformation, the results show the effects of the decomposition of (formula presented) into Zr and (formula presented) and subsequent melting. We have compared the values of (formula presented) and η measured at laboratory temperature to those calculated using the first-principles, self-consistent real-space linear muffin-tin atomic sphere approximation (RS-LMTO-ASA) band-theory method. Overall the magnitudes of (formula presented) and η calculated using the RS-LMTO-ASA method agree reasonably well with the experimental values.

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