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Title: A new form of Ca{sub 3}P{sub 2} with a ring of Dirac nodes

Abstract

We report the synthesis and crystal structure of a new high-temperature form of Ca{sub 3}P{sub 2}. The crystal structure was determined through Rietveld refinements of synchrotron powder x-ray diffraction data. This form of Ca{sub 3}P{sub 2} has a crystal structure of the hexagonal Mn{sub 5}Si{sub 3} type, with a Ca ion deficiency compared to the ideal 5:3 stoichiometry. This yields a stable, charge-balanced compound of Ca{sup 2+} and P{sup 3−}. We also report the observation of a secondary hydride phase, Ca{sub 5}P{sub 3}H, which again is a charge-balanced compound. The calculated band structure of Ca{sub 3}P{sub 2} 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.

Authors:
; ; ; ;
Publication Date:
OSTI Identifier:
22499235
Resource Type:
Journal Article
Journal Name:
APL Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 8; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 2166-532X
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; CALCIUM IONS; COMPARATIVE EVALUATIONS; FERMI LEVEL; GRAPHENE; HYDRIDES; POWDERS; SEMIMETALS; SYNCHROTRONS; SYNTHESIS; X-RAY DIFFRACTION

Citation Formats

Xie, Lilia S., Schoop, Leslie M., Seibel, Elizabeth M., Gibson, Quinn D., Xie, Weiwei, and Cava, Robert J., E-mail: rcava@princeton.edu. A new form of Ca{sub 3}P{sub 2} with a ring of Dirac nodes. United States: N. p., 2015. Web. doi:10.1063/1.4926545.
Xie, Lilia S., Schoop, Leslie M., Seibel, Elizabeth M., Gibson, Quinn D., Xie, Weiwei, & Cava, Robert J., E-mail: rcava@princeton.edu. A new form of Ca{sub 3}P{sub 2} with a ring of Dirac nodes. United States. doi:10.1063/1.4926545.
Xie, Lilia S., Schoop, Leslie M., Seibel, Elizabeth M., Gibson, Quinn D., Xie, Weiwei, and Cava, Robert J., E-mail: rcava@princeton.edu. Sat . "A new form of Ca{sub 3}P{sub 2} with a ring of Dirac nodes". United States. doi:10.1063/1.4926545.
@article{osti_22499235,
title = {A new form of Ca{sub 3}P{sub 2} with a ring of Dirac nodes},
author = {Xie, Lilia S. and Schoop, Leslie M. and Seibel, Elizabeth M. and Gibson, Quinn D. and Xie, Weiwei and Cava, Robert J., E-mail: rcava@princeton.edu},
abstractNote = {We report the synthesis and crystal structure of a new high-temperature form of Ca{sub 3}P{sub 2}. The crystal structure was determined through Rietveld refinements of synchrotron powder x-ray diffraction data. This form of Ca{sub 3}P{sub 2} has a crystal structure of the hexagonal Mn{sub 5}Si{sub 3} type, with a Ca ion deficiency compared to the ideal 5:3 stoichiometry. This yields a stable, charge-balanced compound of Ca{sup 2+} and P{sup 3−}. We also report the observation of a secondary hydride phase, Ca{sub 5}P{sub 3}H, which again is a charge-balanced compound. The calculated band structure of Ca{sub 3}P{sub 2} 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.},
doi = {10.1063/1.4926545},
journal = {APL Materials},
issn = {2166-532X},
number = 8,
volume = 3,
place = {United States},
year = {2015},
month = {8}
}

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