Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3}
Recently, the very first large-gap Kane-Mele quantum spin Hall insulator was predicted to be monolayer jacutingaite (Pt_{2}HgSe_{3}), a naturally occurring exfoliable mineral discovered in Brazil in 2008. The stacking of quantum spin Hall monolayers into a van-der-Waals layered crystal typically lea...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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American Physical Society
2020-03-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.2.012063 |
| _version_ | 1827286218253008896 |
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| author | Antimo Marrazzo Nicola Marzari Marco Gibertini |
| author_facet | Antimo Marrazzo Nicola Marzari Marco Gibertini |
| author_sort | Antimo Marrazzo |
| collection | DOAJ |
| description | Recently, the very first large-gap Kane-Mele quantum spin Hall insulator was predicted to be monolayer jacutingaite (Pt_{2}HgSe_{3}), a naturally occurring exfoliable mineral discovered in Brazil in 2008. The stacking of quantum spin Hall monolayers into a van-der-Waals layered crystal typically leads to a (0;001) weak topological phase, which does not protect the existence of surface states on the (001) surface. Unexpectedly, recent angle-resolved photoemission spectroscopy experiments revealed the presence of surface states dispersing over large areas of the 001-surface Brillouin zone of jacutingaite single crystals. The 001-surface states have been shown to be topologically protected by a mirror Chern number C_{M}=−2, associated with a nodal line gapped by spin-orbit interactions. Here, we extend the two-dimensional Kane-Mele model to bulk jacutingaite and unveil the microscopic origin of the gapped nodal line and the emerging crystalline topological order. By using maximally localized Wannier functions, we identify a large nontrivial second nearest-layer hopping term that breaks the standard paradigm of weak topological insulators. Complemented by this term, the predictions of the Kane-Mele model are in remarkable agreement with recent experiments and first-principles simulations, providing an appealing conceptual framework also relevant for other layered materials made of stacked honeycomb lattices. |
| first_indexed | 2024-04-24T10:27:41Z |
| format | Article |
| id | doaj.art-0bf4c57ab8544a74a25ecc4d3a51e64b |
| institution | Directory Open Access Journal |
| issn | 2643-1564 |
| language | English |
| last_indexed | 2024-04-24T10:27:41Z |
| publishDate | 2020-03-01 |
| publisher | American Physical Society |
| record_format | Article |
| series | Physical Review Research |
| spelling | doaj.art-0bf4c57ab8544a74a25ecc4d3a51e64b2024-04-12T16:51:29ZengAmerican Physical SocietyPhysical Review Research2643-15642020-03-012101206310.1103/PhysRevResearch.2.012063Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3}Antimo MarrazzoNicola MarzariMarco GibertiniRecently, the very first large-gap Kane-Mele quantum spin Hall insulator was predicted to be monolayer jacutingaite (Pt_{2}HgSe_{3}), a naturally occurring exfoliable mineral discovered in Brazil in 2008. The stacking of quantum spin Hall monolayers into a van-der-Waals layered crystal typically leads to a (0;001) weak topological phase, which does not protect the existence of surface states on the (001) surface. Unexpectedly, recent angle-resolved photoemission spectroscopy experiments revealed the presence of surface states dispersing over large areas of the 001-surface Brillouin zone of jacutingaite single crystals. The 001-surface states have been shown to be topologically protected by a mirror Chern number C_{M}=−2, associated with a nodal line gapped by spin-orbit interactions. Here, we extend the two-dimensional Kane-Mele model to bulk jacutingaite and unveil the microscopic origin of the gapped nodal line and the emerging crystalline topological order. By using maximally localized Wannier functions, we identify a large nontrivial second nearest-layer hopping term that breaks the standard paradigm of weak topological insulators. Complemented by this term, the predictions of the Kane-Mele model are in remarkable agreement with recent experiments and first-principles simulations, providing an appealing conceptual framework also relevant for other layered materials made of stacked honeycomb lattices.http://doi.org/10.1103/PhysRevResearch.2.012063 |
| spellingShingle | Antimo Marrazzo Nicola Marzari Marco Gibertini Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3} Physical Review Research |
| title | Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3} |
| title_full | Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3} |
| title_fullStr | Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3} |
| title_full_unstemmed | Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3} |
| title_short | Emergent dual topology in the three-dimensional Kane-Mele Pt_{2}HgSe_{3} |
| title_sort | emergent dual topology in the three dimensional kane mele pt 2 hgse 3 |
| url | http://doi.org/10.1103/PhysRevResearch.2.012063 |
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