A new form of Ca3P2 with a ring of Dirac nodes

Xie, Lilia S.; Schoop, Leslie M.; Seibel, Elizabeth M.; Gibson, Quinn D.; Xie, Weiwei; Cava, Robert J.

doi:10.1063/1.4926545

Title: A new form of Ca₃P₂ with a ring of Dirac nodes

Journal Article · Sat Aug 01 00:00:00 EDT 2015 · APL Materials

DOI:https://doi.org/10.1063/1.4926545· OSTI ID:1193515

;

; Gibson, Quinn D.; Xie, Weiwei; Cava, Robert J.

We report the synthesis and crystal structure of a new high-temperature form of Ca₃P₂. The crystal structure was determined through Rietveld refinements of synchrotron powder x-ray diffraction data. This form of Ca₃P₂ has a crystal structure of the hexagonal Mn₅Si₃ type, with a Ca ion deficiency compared to the ideal 5:3 stoichiometry. This yields a stable, charge-balanced compound of Ca²⁺ and P^3–. We also report the observation of a secondary hydride phase, Ca₅P₃H, which again is a charge-balanced compound. The calculated band structure of Ca₃P₂ indicates that it is a three-dimensional Dirac semimetal with a highly unusual ring of Dirac nodes at the Fermi level. The Dirac states are protected against gap opening by a mirror plane in a manner analogous to what is seen for graphene.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: W911NF-12-1-0461; DMR 1420541; AC02-06CH11357

OSTI ID:: 1193515

Alternate ID(s):: OSTI ID: 1225057; OSTI ID: 1421213

Journal Information:: APL Materials, Journal Name: APL Materials Vol. 3 Journal Issue: 8; ISSN 2166-532X

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 262 works

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Title: A new form of Ca₃P₂ with a ring of Dirac nodes