Insulating fcc YH3-ô stabilized by MgH2

S.J. van der Molen, D.G. Nagengast, A.T.M. van Gogh, J. Kalkman, Ernst S. Kooij, J.H. Rector, R. Griessen

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)

Abstract

We study the structural, optical, and electrical properties of MgzY1-z switchable mirrors upon hydrogenation. It is found that the alloys disproportionate into essentially pure YH3-δ and MgH2 with the crystal structure of YH3-δ dependent on the Mg concentration z. For 0<z<0.1, both hcp and fcc YH3-δ are observed, whereas for z>~0.1 only cubic YH3-δ is present. Interestingly, cubic YH3-δ is expanded compared to YH2, in disagreement with theoretical predictions. From optical and electrical measurements we conclude that cubic YH3-δ is a transparent insulator with properties similar to hexagonal YH3-δ. Our results are inconsistent with calculations predicting fcc YH3-δ to be metallic, but they are in good agreement with recent GW calculations on both hcp and fcc YH3. Finally, we find an increase in the effective band gap of the hydrided MgzY1-z alloys with increasing z. Possibly this is due to quantum confinement effects in the small YH3 clusters.
Original languageUndefined
Pages (from-to)235116-1-235116-8
Number of pages8
JournalPhysical review B: Condensed matter and materials physics
Volume63
Issue number23
DOIs
Publication statusPublished - 2001

Keywords

  • METIS-202523
  • IR-75190

Cite this

van der Molen, S. J., Nagengast, D. G., van Gogh, A. T. M., Kalkman, J., Kooij, E. S., Rector, J. H., & Griessen, R. (2001). Insulating fcc YH3-ô stabilized by MgH2. Physical review B: Condensed matter and materials physics, 63(23), 235116-1-235116-8. https://doi.org/10.1103/PhysRevB.63.235116
van der Molen, S.J. ; Nagengast, D.G. ; van Gogh, A.T.M. ; Kalkman, J. ; Kooij, Ernst S. ; Rector, J.H. ; Griessen, R. / Insulating fcc YH3-ô stabilized by MgH2. In: Physical review B: Condensed matter and materials physics. 2001 ; Vol. 63, No. 23. pp. 235116-1-235116-8.
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title = "Insulating fcc YH3-{\^o} stabilized by MgH2",
abstract = "We study the structural, optical, and electrical properties of MgzY1-z switchable mirrors upon hydrogenation. It is found that the alloys disproportionate into essentially pure YH3-δ and MgH2 with the crystal structure of YH3-δ dependent on the Mg concentration z. For 0~0.1 only cubic YH3-δ is present. Interestingly, cubic YH3-δ is expanded compared to YH2, in disagreement with theoretical predictions. From optical and electrical measurements we conclude that cubic YH3-δ is a transparent insulator with properties similar to hexagonal YH3-δ. Our results are inconsistent with calculations predicting fcc YH3-δ to be metallic, but they are in good agreement with recent GW calculations on both hcp and fcc YH3. Finally, we find an increase in the effective band gap of the hydrided MgzY1-z alloys with increasing z. Possibly this is due to quantum confinement effects in the small YH3 clusters.",
keywords = "METIS-202523, IR-75190",
author = "{van der Molen}, S.J. and D.G. Nagengast and {van Gogh}, A.T.M. and J. Kalkman and Kooij, {Ernst S.} and J.H. Rector and R. Griessen",
year = "2001",
doi = "10.1103/PhysRevB.63.235116",
language = "Undefined",
volume = "63",
pages = "235116--1--235116--8",
journal = "Physical review B: Condensed matter and materials physics",
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van der Molen, SJ, Nagengast, DG, van Gogh, ATM, Kalkman, J, Kooij, ES, Rector, JH & Griessen, R 2001, 'Insulating fcc YH3-ô stabilized by MgH2', Physical review B: Condensed matter and materials physics, vol. 63, no. 23, pp. 235116-1-235116-8. https://doi.org/10.1103/PhysRevB.63.235116

Insulating fcc YH3-ô stabilized by MgH2. / van der Molen, S.J.; Nagengast, D.G.; van Gogh, A.T.M.; Kalkman, J.; Kooij, Ernst S.; Rector, J.H.; Griessen, R.

In: Physical review B: Condensed matter and materials physics, Vol. 63, No. 23, 2001, p. 235116-1-235116-8.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Insulating fcc YH3-ô stabilized by MgH2

AU - van der Molen, S.J.

AU - Nagengast, D.G.

AU - van Gogh, A.T.M.

AU - Kalkman, J.

AU - Kooij, Ernst S.

AU - Rector, J.H.

AU - Griessen, R.

PY - 2001

Y1 - 2001

N2 - We study the structural, optical, and electrical properties of MgzY1-z switchable mirrors upon hydrogenation. It is found that the alloys disproportionate into essentially pure YH3-δ and MgH2 with the crystal structure of YH3-δ dependent on the Mg concentration z. For 0~0.1 only cubic YH3-δ is present. Interestingly, cubic YH3-δ is expanded compared to YH2, in disagreement with theoretical predictions. From optical and electrical measurements we conclude that cubic YH3-δ is a transparent insulator with properties similar to hexagonal YH3-δ. Our results are inconsistent with calculations predicting fcc YH3-δ to be metallic, but they are in good agreement with recent GW calculations on both hcp and fcc YH3. Finally, we find an increase in the effective band gap of the hydrided MgzY1-z alloys with increasing z. Possibly this is due to quantum confinement effects in the small YH3 clusters.

AB - We study the structural, optical, and electrical properties of MgzY1-z switchable mirrors upon hydrogenation. It is found that the alloys disproportionate into essentially pure YH3-δ and MgH2 with the crystal structure of YH3-δ dependent on the Mg concentration z. For 0~0.1 only cubic YH3-δ is present. Interestingly, cubic YH3-δ is expanded compared to YH2, in disagreement with theoretical predictions. From optical and electrical measurements we conclude that cubic YH3-δ is a transparent insulator with properties similar to hexagonal YH3-δ. Our results are inconsistent with calculations predicting fcc YH3-δ to be metallic, but they are in good agreement with recent GW calculations on both hcp and fcc YH3. Finally, we find an increase in the effective band gap of the hydrided MgzY1-z alloys with increasing z. Possibly this is due to quantum confinement effects in the small YH3 clusters.

KW - METIS-202523

KW - IR-75190

U2 - 10.1103/PhysRevB.63.235116

DO - 10.1103/PhysRevB.63.235116

M3 - Article

VL - 63

SP - 235116-1-235116-8

JO - Physical review B: Condensed matter and materials physics

JF - Physical review B: Condensed matter and materials physics

SN - 1098-0121

IS - 23

ER -

van der Molen SJ, Nagengast DG, van Gogh ATM, Kalkman J, Kooij ES, Rector JH et al. Insulating fcc YH3-ô stabilized by MgH2. Physical review B: Condensed matter and materials physics. 2001;63(23):235116-1-235116-8. https://doi.org/10.1103/PhysRevB.63.235116