Pressure-induced transition to the collapsed tetragonal phase in BaCr2As2

Pressure-induced transition to the collapsed tetragonal phase in BaCr2As2

The structural and electronic properties of BaCr2As2, which is isostructural to the 122 iron arsenide superconductors, are studied at high pressures using synchrotron x-ray powder diffraction, electrical resistivity measurements, and first-principles calculations. At a pressure of about 18.5 GPa, an...

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Veröffentlicht in:Physical review. B 2017-04, Vol.95 (14), p.144106
Hauptverfasser: Naumov, P G, Filsinger, K, Barkalov, O I, Fecher, G H, Medvedev, S A, Felser, C
Format: Artikel
Sprache:eng
Schlagworte:
Antiferromagnetism
Arsenides
Electronic properties
Electronic structure
First principles
Mathematical analysis
Phase transitions
Synchrotron radiation
X ray powder diffraction
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Zusammenfassung:The structural and electronic properties of BaCr2As2, which is isostructural to the 122 iron arsenide superconductors, are studied at high pressures using synchrotron x-ray powder diffraction, electrical resistivity measurements, and first-principles calculations. At a pressure of about 18.5 GPa, an isostructural phase transition to a collapsed tetragonal phase is observed, similar to that in BaFe2As2. In both phases, BaCr2As2 is a normal metal. Electronic structure calculations suggest a metallic and antiferromagnetic ground state with G-type magnetic order for the collapsed tetragonal phase.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.95.144106