Topological crystalline insulator states in the Cap[subscript 2]As family
Topological crystalline insulators (TCIs) are insulating electronic phases of matter with nontrivial topology originating from crystalline symmetries. Recent theoretical advances have proposed new TCI states protected by rotational symmetries and provided powerful guidelines to search for TCIs in re...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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American Physical Society
2018
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| Online Access: | http://hdl.handle.net/1721.1/119649 https://orcid.org/0000-0002-5103-6973 https://orcid.org/0000-0001-8217-8213 https://orcid.org/0000-0002-6394-4987 https://orcid.org/0000-0002-8803-1017 |
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| author | Zhou, Xiaoting Hsu, Chuang-Han Chang, Tay-Rong Tien, Hung-Ju Bansil, Arun Pereira, Vitor M. Lin, Hsin Ma, Qiong Jarillo-Herrero, Pablo Gedik, Nuh Xu, Suyang Fu, Liang |
| author2 | Massachusetts Institute of Technology. Department of Physics |
| author_facet | Massachusetts Institute of Technology. Department of Physics Zhou, Xiaoting Hsu, Chuang-Han Chang, Tay-Rong Tien, Hung-Ju Bansil, Arun Pereira, Vitor M. Lin, Hsin Ma, Qiong Jarillo-Herrero, Pablo Gedik, Nuh Xu, Suyang Fu, Liang |
| author_sort | Zhou, Xiaoting |
| collection | MIT |
| description | Topological crystalline insulators (TCIs) are insulating electronic phases of matter with nontrivial topology originating from crystalline symmetries. Recent theoretical advances have proposed new TCI states protected by rotational symmetries and provided powerful guidelines to search for TCIs in real materials. Building upon recent theoretical works, we demonstrate a feasible method to identify new TCI states based on first-principles calculations. We systematically unveil the topological properties of the TCI states in Ca[subscript 2]As. On both top and side surfaces, we observe topological surface states protected independently by rotational and mirror symmetries. We show that a particular lattice distortion can single out the newly proposed topological protection by the rotational symmetry. As a result, the Dirac points of the topological surface states are moved to generic locations in momentum space away from any high-symmetry lines. Such topological surface states have not been seen before. Moreover, the other family members, including Ca[subscript 2]Sb, Ca[subscript 2]Bi, and Sr[subscript 2]Sb, feature different topological surface states due to their distinct topological invariants. We thus further propose topological phase transitions in the pseudobinary systems such as (Ca[subscript 1−x]Sr[subscript x])[subscript 2] As and Ca[subscript 2]As[subscript x]Sb[subscript 1−x]. Our work reveals rich and exotic TCI physics across the Ca[subscript 2]As family of materials and demonstrates a complete roadmap for uncovering TCIs topological nature based on first-principles calculations. Such a method can be broadly applied in searching for new TCIs. |
| first_indexed | 2024-09-23T08:07:10Z |
| format | Article |
| id | mit-1721.1/119649 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T08:07:10Z |
| publishDate | 2018 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/1196492022-09-23T11:00:58Z Topological crystalline insulator states in the Cap[subscript 2]As family Zhou, Xiaoting Hsu, Chuang-Han Chang, Tay-Rong Tien, Hung-Ju Bansil, Arun Pereira, Vitor M. Lin, Hsin Ma, Qiong Jarillo-Herrero, Pablo Gedik, Nuh Xu, Suyang Fu, Liang Massachusetts Institute of Technology. Department of Physics Ma, Qiong Jarillo-Herrero, Pablo Gedik, Nuh Xu, Suyang Fu, Liang Topological crystalline insulators (TCIs) are insulating electronic phases of matter with nontrivial topology originating from crystalline symmetries. Recent theoretical advances have proposed new TCI states protected by rotational symmetries and provided powerful guidelines to search for TCIs in real materials. Building upon recent theoretical works, we demonstrate a feasible method to identify new TCI states based on first-principles calculations. We systematically unveil the topological properties of the TCI states in Ca[subscript 2]As. On both top and side surfaces, we observe topological surface states protected independently by rotational and mirror symmetries. We show that a particular lattice distortion can single out the newly proposed topological protection by the rotational symmetry. As a result, the Dirac points of the topological surface states are moved to generic locations in momentum space away from any high-symmetry lines. Such topological surface states have not been seen before. Moreover, the other family members, including Ca[subscript 2]Sb, Ca[subscript 2]Bi, and Sr[subscript 2]Sb, feature different topological surface states due to their distinct topological invariants. We thus further propose topological phase transitions in the pseudobinary systems such as (Ca[subscript 1−x]Sr[subscript x])[subscript 2] As and Ca[subscript 2]As[subscript x]Sb[subscript 1−x]. Our work reveals rich and exotic TCI physics across the Ca[subscript 2]As family of materials and demonstrates a complete roadmap for uncovering TCIs topological nature based on first-principles calculations. Such a method can be broadly applied in searching for new TCIs. United States. Department of Energy. Division of Materials Sciences and Engineering (Award DE-SC0010526) Massachusetts Institute of Technology. Energy Frontier Research Center for Excitonics (Award DESC0001088) United States. Air Force. Office of Scientific Research (Grant FA9550-16-1-0382) Gordon and Betty Moore Foundation (Grant GBMF4541) Gordon and Betty Moore Foundation (Grant GBMF4540) United States. Department of Energy 2018-12-13T21:45:33Z 2018-12-13T21:45:33Z 2018-12 2018-05 2018-12-04T18:00:26Z Article http://purl.org/eprint/type/JournalArticle 2469-9950 2469-9969 http://hdl.handle.net/1721.1/119649 Zhou, Xiaoting, et al. “Topological Crystalline Insulator States in the Ca[subscript 2]As Family.” Physical Review B, vol. 98, no. 24, Dec. 2018. https://orcid.org/0000-0002-5103-6973 https://orcid.org/0000-0001-8217-8213 https://orcid.org/0000-0002-6394-4987 https://orcid.org/0000-0002-8803-1017 en http://dx.doi.org/10.1103/PhysRevB.98.241104 Physical Review B Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. American Physical Society application/pdf American Physical Society American Physical Society |
| spellingShingle | Zhou, Xiaoting Hsu, Chuang-Han Chang, Tay-Rong Tien, Hung-Ju Bansil, Arun Pereira, Vitor M. Lin, Hsin Ma, Qiong Jarillo-Herrero, Pablo Gedik, Nuh Xu, Suyang Fu, Liang Topological crystalline insulator states in the Cap[subscript 2]As family |
| title | Topological crystalline insulator states in the Cap[subscript 2]As family |
| title_full | Topological crystalline insulator states in the Cap[subscript 2]As family |
| title_fullStr | Topological crystalline insulator states in the Cap[subscript 2]As family |
| title_full_unstemmed | Topological crystalline insulator states in the Cap[subscript 2]As family |
| title_short | Topological crystalline insulator states in the Cap[subscript 2]As family |
| title_sort | topological crystalline insulator states in the cap subscript 2 as family |
| url | http://hdl.handle.net/1721.1/119649 https://orcid.org/0000-0002-5103-6973 https://orcid.org/0000-0001-8217-8213 https://orcid.org/0000-0002-6394-4987 https://orcid.org/0000-0002-8803-1017 |
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