Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study
The pressure dependence of the Fermi surface of arsenic is examined using the technique of Wannier interpolation, enabling a dense sampling of the Brillouin zone and the ability to capture fine features within it. Focusing primarily on the A7 → simple-cubic phase transition, we find that this semime...
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| Format: | Journal article |
| Language: | English |
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2013
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| _version_ | 1797095591754334208 |
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| author | Silas, P Haynes, P Yates, JR |
| author_facet | Silas, P Haynes, P Yates, JR |
| author_sort | Silas, P |
| collection | OXFORD |
| description | The pressure dependence of the Fermi surface of arsenic is examined using the technique of Wannier interpolation, enabling a dense sampling of the Brillouin zone and the ability to capture fine features within it. Focusing primarily on the A7 → simple-cubic phase transition, we find that this semimetal to metal transition is accompanied by the folding of Fermi surfaces. The pressure dependence of the density of states (DOS) of arsenic indicates that the onset of the Peierls-type cubic to rhombohedral distortion is signified by the appearance of emerging van Hove singularities in the DOS, especially around the Fermi level. As we noted in an earlier study, high levels of convergence are consequently required for an accurate description of this transition. © 2013 American Physical Society. |
| first_indexed | 2024-03-07T04:30:03Z |
| format | Journal article |
| id | oxford-uuid:cdfb960c-78c4-4109-aa0c-50e194a68152 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:30:03Z |
| publishDate | 2013 |
| record_format | dspace |
| spelling | oxford-uuid:cdfb960c-78c4-4109-aa0c-50e194a681522022-03-27T07:32:39ZEvolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation studyJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:cdfb960c-78c4-4109-aa0c-50e194a68152EnglishSymplectic Elements at Oxford2013Silas, PHaynes, PYates, JRThe pressure dependence of the Fermi surface of arsenic is examined using the technique of Wannier interpolation, enabling a dense sampling of the Brillouin zone and the ability to capture fine features within it. Focusing primarily on the A7 → simple-cubic phase transition, we find that this semimetal to metal transition is accompanied by the folding of Fermi surfaces. The pressure dependence of the density of states (DOS) of arsenic indicates that the onset of the Peierls-type cubic to rhombohedral distortion is signified by the appearance of emerging van Hove singularities in the DOS, especially around the Fermi level. As we noted in an earlier study, high levels of convergence are consequently required for an accurate description of this transition. © 2013 American Physical Society. |
| spellingShingle | Silas, P Haynes, P Yates, JR Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study |
| title | Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study |
| title_full | Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study |
| title_fullStr | Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study |
| title_full_unstemmed | Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study |
| title_short | Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study |
| title_sort | evolution of the fermi surface of arsenic through the rhombohedral to simple cubic phase transition a wannier interpolation study |
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