A new form of Ca3P2 with a ring of Dirac nodes
Abstract
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 P3–. 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.
- Authors:
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Org.:
- National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1193515
- Alternate Identifier(s):
- OSTI ID: 1225057; OSTI ID: 1421213
- Grant/Contract Number:
- W911NF-12-1-0461; DMR 1420541; AC02-06CH11357
- Resource Type:
- Journal Article: Published Article
- Journal Name:
- APL Materials
- Additional Journal Information:
- Journal Name: APL Materials Journal Volume: 3 Journal Issue: 8; Journal ID: ISSN 2166-532X
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Synchrotrons; Representation theory; Graphene; Semimetals; X-ray diffraction; Electronic bandstructure; Crystal structure; Crystallography; Stoichiometry; Electronic structure methods
Citation Formats
Xie, Lilia S., Schoop, Leslie M., Seibel, Elizabeth M., Gibson, Quinn D., Xie, Weiwei, and Cava, Robert J. A new form of Ca3P2 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. A new form of Ca3P2 with a ring of Dirac nodes. United States. https://doi.org/10.1063/1.4926545
Xie, Lilia S., Schoop, Leslie M., Seibel, Elizabeth M., Gibson, Quinn D., Xie, Weiwei, and Cava, Robert J. 2015.
"A new form of Ca3P2 with a ring of Dirac nodes". United States. https://doi.org/10.1063/1.4926545.
@article{osti_1193515,
title = {A new form of Ca3P2 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.},
abstractNote = {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 P3–. 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.},
doi = {10.1063/1.4926545},
url = {https://www.osti.gov/biblio/1193515},
journal = {APL Materials},
issn = {2166-532X},
number = 8,
volume = 3,
place = {United States},
year = {Sat Aug 01 00:00:00 EDT 2015},
month = {Sat Aug 01 00:00:00 EDT 2015}
}
Web of Science
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