Vacancy ordering phase transition in ZrBe2(H/D)x

NMR and electronic structure study

Vikram Kodibagkar, Peter A. Fedders, Caleb D. Browning, Robert C. Bowman, Natalie L. Adolphi, Mark S. Conradi

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The layered intermetallic compound ZrBe2(H/D)x (x≃1.5) was studied using deuterium and beryllium NMR. A temperature-induced structural transition in the deuteride reported earlier is further investigated here using 9Be NMR, which reveals the transition in both the hydride and deuteride at 200 and 235 K, respectively. Above the transition temperature a single pair of quadrupolar satellites is present. Each quadrupolar satellite splits into two resonances below the transition temperature, implying the existence of two different classes of Be sites. The temperature dependence of the satellite frequencies and the appearance of two-phase coexistence spectra show the transition to be first order. Be-D spin-echo double resonance (SEDOR) experiments were performed to identify the two sites; SEDOR demonstrates that the D environments of the two classes of Be sites are similar. Electronic structure calculations show the binding energy of H decreases gradually for x greater than 1.38. The calculations allow a vacancy ordered structure to be proposed.

Original languageEnglish (US)
Article number045107
Pages (from-to)451071-451077
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number4
StatePublished - Jan 15 2003
Externally publishedYes

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Vacancies
Electronic structure
deuterides
Phase transitions
Nuclear magnetic resonance
Satellites
electronic structure
nuclear magnetic resonance
Superconducting transition temperature
echoes
transition temperature
Beryllium
Deuterium
beryllium
Binding energy
Hydrides
hydrides
Intermetallics
intermetallics
deuterium

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Kodibagkar, V., Fedders, P. A., Browning, C. D., Bowman, R. C., Adolphi, N. L., & Conradi, M. S. (2003). Vacancy ordering phase transition in ZrBe2(H/D)x: NMR and electronic structure study. Physical Review B - Condensed Matter and Materials Physics, 67(4), 451071-451077. [045107].

Vacancy ordering phase transition in ZrBe2(H/D)x : NMR and electronic structure study. / Kodibagkar, Vikram; Fedders, Peter A.; Browning, Caleb D.; Bowman, Robert C.; Adolphi, Natalie L.; Conradi, Mark S.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 67, No. 4, 045107, 15.01.2003, p. 451071-451077.

Research output: Contribution to journalArticle

Kodibagkar, V, Fedders, PA, Browning, CD, Bowman, RC, Adolphi, NL & Conradi, MS 2003, 'Vacancy ordering phase transition in ZrBe2(H/D)x: NMR and electronic structure study', Physical Review B - Condensed Matter and Materials Physics, vol. 67, no. 4, 045107, pp. 451071-451077.
Kodibagkar V, Fedders PA, Browning CD, Bowman RC, Adolphi NL, Conradi MS. Vacancy ordering phase transition in ZrBe2(H/D)x: NMR and electronic structure study. Physical Review B - Condensed Matter and Materials Physics. 2003 Jan 15;67(4):451071-451077. 045107.
Kodibagkar, Vikram ; Fedders, Peter A. ; Browning, Caleb D. ; Bowman, Robert C. ; Adolphi, Natalie L. ; Conradi, Mark S. / Vacancy ordering phase transition in ZrBe2(H/D)x : NMR and electronic structure study. In: Physical Review B - Condensed Matter and Materials Physics. 2003 ; Vol. 67, No. 4. pp. 451071-451077.
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