A new form of Ca3P2 with a ring of Dirac nodes
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 com...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2015-08-01
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| Series: | APL Materials |
| Online Access: | http://dx.doi.org/10.1063/1.4926545 |
| _version_ | 1818136691398934528 |
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| author | Lilia S. Xie Leslie M. Schoop Elizabeth M. Seibel Quinn D. Gibson Weiwei Xie Robert J. Cava |
| author_facet | Lilia S. Xie Leslie M. Schoop Elizabeth M. Seibel Quinn D. Gibson Weiwei Xie Robert J. Cava |
| author_sort | Lilia S. Xie |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-11T09:44:26Z |
| format | Article |
| id | doaj.art-8a60fe178d6147d690b0d4ee977aa1df |
| institution | Directory Open Access Journal |
| issn | 2166-532X |
| language | English |
| last_indexed | 2024-12-11T09:44:26Z |
| publishDate | 2015-08-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | APL Materials |
| spelling | doaj.art-8a60fe178d6147d690b0d4ee977aa1df2022-12-22T01:12:36ZengAIP Publishing LLCAPL Materials2166-532X2015-08-0138083602083602-810.1063/1.4926545005593APMA new form of Ca3P2 with a ring of Dirac nodesLilia S. Xie0Leslie M. Schoop1Elizabeth M. Seibel2Quinn D. Gibson3Weiwei Xie4Robert J. Cava5Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USADepartment of Chemistry, Princeton University, Princeton, New Jersey 08544, USADepartment of Chemistry, Princeton University, Princeton, New Jersey 08544, USADepartment of Chemistry, Princeton University, Princeton, New Jersey 08544, USADepartment of Chemistry, Princeton University, Princeton, New Jersey 08544, USADepartment of Chemistry, Princeton University, Princeton, New Jersey 08544, USAWe 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.http://dx.doi.org/10.1063/1.4926545 |
| spellingShingle | Lilia S. Xie Leslie M. Schoop Elizabeth M. Seibel Quinn D. Gibson Weiwei Xie Robert J. Cava A new form of Ca3P2 with a ring of Dirac nodes APL Materials |
| title | A new form of Ca3P2 with a ring of Dirac nodes |
| title_full | A new form of Ca3P2 with a ring of Dirac nodes |
| title_fullStr | A new form of Ca3P2 with a ring of Dirac nodes |
| title_full_unstemmed | A new form of Ca3P2 with a ring of Dirac nodes |
| title_short | A new form of Ca3P2 with a ring of Dirac nodes |
| title_sort | new form of ca3p2 with a ring of dirac nodes |
| url | http://dx.doi.org/10.1063/1.4926545 |
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