New tetragonal ReGa5(M) (M = Sn, Pb, Bi) single crystals grown from delicate electrons changing

Madalynn Marshall; Karolina Górnicka; Ranuri S.Dissanayaka Mudiyanselage; Tomasz Klimczuk; Weiwei Xie

doi:10.3390/cryst9100527

New tetragonal ReGa₅(M) (M = Sn, Pb, Bi) single crystals grown from delicate electrons changing

Madalynn Marshall, Karolina Górnicka, Ranuri S.Dissanayaka Mudiyanselage, Tomasz Klimczuk, Weiwei Xie

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Single crystals of the new Ga-rich phases ReGa_~5(Sn), ReGa_~5(Pb) and ReGa_~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re₂@Ga₁₄ oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were performed on all three compounds resulting in a small anomaly which resembles the superconductivity transition temperature from the impurity ReGa₅ phase. The three compounds were not superconducting above 1.85 K. Subsequently, electronic structure calculations revealed a high density of states around the Fermi level, as well as non-bonding interactions that likely indicate the stability of these new phases.

Original language	English
Article number	527
Journal	Crystals
Volume	9
Issue number	10
DOIs	https://doi.org/10.3390/cryst9100527
State	Published - Oct 2019
Externally published	Yes

Funding

M.M. and W.X. deeply appreciate the support from Beckman Young Investigator Program and the U.S. Department of Energy, O ce of Science, Basic Energy Sciences, under EPSCoR Grant No. DE-SC0012432 with additional support from the Louisiana Board of Regents. Work at GUT was supported by National Science Centre (Poland), grant number: UMO-2018/30/M/ST5/00773. Supplementary Materials: The following are available online at www.mdpi.com/xxx/s1, Figure S1: Powder X-displacement parameters, Table S2: Scanning electron microscopy. ray diffraction patterns, Figure S2: Heat capacity measurements, Table S1: Anisotropic displacement parameters, ATuathbloer SC2o: Snctrainbnuintigo nesle:cCtroonnc mepitcuroalsiczoaptiyo.n , M.M. and W.X.; methodology, M.M. K.G., R.S.D.M.; writing—original draft preparation, M.M.; writing—review and editing, W.X., K.G., R.S.D.M., T.K.; supervision, W.X. Author Contributions: Conceptualization, M.M. and W.X.; methodology, M.M. K.G, R.S.M.; writing—original Funding: M.M. and W.X. deeply appreciate the support from Beckman Young Investigator Program and the U.S. draft preparation, M.M.; writing—review and editing, X.W. K.G, R.S.M., T. K.; supervision, W.X.

Keywords

Clusters
Endohedral
Gallide

Access to Document

10.3390/cryst9100527

Cite this

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title = "New tetragonal ReGa5(M) (M = Sn, Pb, Bi) single crystals grown from delicate electrons changing",

abstract = "Single crystals of the new Ga-rich phases ReGa\textasciitilde{}5(Sn), ReGa\textasciitilde{}5(Pb) and ReGa\textasciitilde{}5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were performed on all three compounds resulting in a small anomaly which resembles the superconductivity transition temperature from the impurity ReGa5 phase. The three compounds were not superconducting above 1.85 K. Subsequently, electronic structure calculations revealed a high density of states around the Fermi level, as well as non-bonding interactions that likely indicate the stability of these new phases.",

keywords = "Clusters, Endohedral, Gallide",

author = "Madalynn Marshall and Karolina G{\'o}rnicka and Mudiyanselage, \{Ranuri S.Dissanayaka\} and Tomasz Klimczuk and Weiwei Xie",

note = "Publisher Copyright: {\textcopyright} 2019 by the authors. Licensee MDPI, Basel, Switzerland.",

year = "2019",

month = oct,

doi = "10.3390/cryst9100527",

language = "English",

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journal = "Crystals",

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T1 - New tetragonal ReGa5(M) (M = Sn, Pb, Bi) single crystals grown from delicate electrons changing

AU - Marshall, Madalynn

AU - Górnicka, Karolina

AU - Mudiyanselage, Ranuri S.Dissanayaka

AU - Klimczuk, Tomasz

AU - Xie, Weiwei

PY - 2019/10

Y1 - 2019/10

N2 - Single crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were performed on all three compounds resulting in a small anomaly which resembles the superconductivity transition temperature from the impurity ReGa5 phase. The three compounds were not superconducting above 1.85 K. Subsequently, electronic structure calculations revealed a high density of states around the Fermi level, as well as non-bonding interactions that likely indicate the stability of these new phases.

AB - Single crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were performed on all three compounds resulting in a small anomaly which resembles the superconductivity transition temperature from the impurity ReGa5 phase. The three compounds were not superconducting above 1.85 K. Subsequently, electronic structure calculations revealed a high density of states around the Fermi level, as well as non-bonding interactions that likely indicate the stability of these new phases.

KW - Clusters

KW - Endohedral

KW - Gallide

UR - https://www.scopus.com/pages/publications/85073713999

U2 - 10.3390/cryst9100527

DO - 10.3390/cryst9100527

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