Pressure-induced structural phase transition in the half-Heusler compound CaAuBi

Lilia S. Xie; Leslie M. Schoop; Sergey A. Medvedev; Claudia Felser; R. J. Cava

doi:10.1016/j.solidstatesciences.2014.02.001

Pressure-induced structural phase transition in the half-Heusler compound CaAuBi

Lilia S. Xie, Leslie M. Schoop, Sergey A. Medvedev, Claudia Felser, R. J. Cava

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

23 Scopus citations

Abstract

We report a structural phase transition of the ternary compound CaAuBi under pressure, from the known cubic half-Heusler phase to a hexagonal LiGaGe type phase, based on synchrotron X-ray diffraction patterns taken under pressures up to 18 GPa. We report lattice parameters and atomic coordinates, and perform total energy calculations for both the cubic and hexagonal phases under different pressures. Finally, we present a structure map that places CaAuBi in the context of related 18 electron XYZ ternary systems.

Original language	English (US)
Pages (from-to)	6-10
Number of pages	5
Journal	Solid State Sciences
Volume	30
DOIs	https://doi.org/10.1016/j.solidstatesciences.2014.02.001
State	Published - Apr 2014

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics

Keywords

CaAuBi
Half-Heusler
High pressure
X-ray diffraction

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10.1016/j.solidstatesciences.2014.02.001

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title = "Pressure-induced structural phase transition in the half-Heusler compound CaAuBi",

abstract = "We report a structural phase transition of the ternary compound CaAuBi under pressure, from the known cubic half-Heusler phase to a hexagonal LiGaGe type phase, based on synchrotron X-ray diffraction patterns taken under pressures up to 18 GPa. We report lattice parameters and atomic coordinates, and perform total energy calculations for both the cubic and hexagonal phases under different pressures. Finally, we present a structure map that places CaAuBi in the context of related 18 electron XYZ ternary systems.",

keywords = "CaAuBi, Half-Heusler, High pressure, X-ray diffraction",

author = "Xie, {Lilia S.} and Schoop, {Leslie M.} and Medvedev, {Sergey A.} and Claudia Felser and Cava, {R. J.}",

note = "Funding Information: The research at Princeton University was supported by the US Department of Energy grant DE-FG02-98ER45706 .",

year = "2014",

month = apr,

doi = "10.1016/j.solidstatesciences.2014.02.001",

language = "English (US)",

volume = "30",

pages = "6--10",

journal = "Solid State Sciences",

issn = "1293-2558",

publisher = "Elsevier Masson s.r.l.",

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TY - JOUR

T1 - Pressure-induced structural phase transition in the half-Heusler compound CaAuBi

AU - Xie, Lilia S.

AU - Schoop, Leslie M.

AU - Medvedev, Sergey A.

AU - Felser, Claudia

AU - Cava, R. J.

N1 - Funding Information: The research at Princeton University was supported by the US Department of Energy grant DE-FG02-98ER45706 .

PY - 2014/4

Y1 - 2014/4

N2 - We report a structural phase transition of the ternary compound CaAuBi under pressure, from the known cubic half-Heusler phase to a hexagonal LiGaGe type phase, based on synchrotron X-ray diffraction patterns taken under pressures up to 18 GPa. We report lattice parameters and atomic coordinates, and perform total energy calculations for both the cubic and hexagonal phases under different pressures. Finally, we present a structure map that places CaAuBi in the context of related 18 electron XYZ ternary systems.

AB - We report a structural phase transition of the ternary compound CaAuBi under pressure, from the known cubic half-Heusler phase to a hexagonal LiGaGe type phase, based on synchrotron X-ray diffraction patterns taken under pressures up to 18 GPa. We report lattice parameters and atomic coordinates, and perform total energy calculations for both the cubic and hexagonal phases under different pressures. Finally, we present a structure map that places CaAuBi in the context of related 18 electron XYZ ternary systems.

KW - CaAuBi

KW - Half-Heusler

KW - High pressure

KW - X-ray diffraction

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DO - 10.1016/j.solidstatesciences.2014.02.001

M3 - Article

AN - SCOPUS:84894521485

SN - 1293-2558

VL - 30

SP - 6

EP - 10

JO - Solid State Sciences

JF - Solid State Sciences

ER -

Pressure-induced structural phase transition in the half-Heusler compound CaAuBi

Abstract

All Science Journal Classification (ASJC) codes

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