Stacking and spin order in a van der Waals Mott insulator 1T-TaS2
Abstract Quasi-two-dimensional charge density wave system of 1T-TaS2 has attracted recent interest due to topological excitations, emergent superconductivity, ultrafast synaptic functionality, and the possibility of a quantum spin liquid state. While electron correlation has been known to be essenti...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-11-01
|
| Series: | Communications Materials |
| Online Access: | https://doi.org/10.1038/s43246-023-00425-9 |
| _version_ | 1827709435229765632 |
|---|---|
| author | Jae Whan Park Jinwon Lee Han Woong Yeom |
| author_facet | Jae Whan Park Jinwon Lee Han Woong Yeom |
| author_sort | Jae Whan Park |
| collection | DOAJ |
| description | Abstract Quasi-two-dimensional charge density wave system of 1T-TaS2 has attracted recent interest due to topological excitations, emergent superconductivity, ultrafast synaptic functionality, and the possibility of a quantum spin liquid state. While electron correlation has been known to be essential in this system, the nature of its insulating phase is currently under debate. Here, we reinvestigate the origin of the insulating band structures of the 1T-TaS2 surface using density-functional theory calculations to consider the recently-raised issues such as interlayer coupling, surface effect, and interlayer spin ordering. We identify four distinct electronic states of the surface layer such as a 2D Mott phase, a strongly-coupled antiferromagnetic insulator, a weakly-coupled ferromagnetic insulator, and a small-gap semiconductor, depending on types of the surface termination and the interlayer spin configuration. These distinct surface electronic states explain the different sizes of spectroscopic band gaps observed in scanning tunneling microscopy, revealing the complexity of the interlayer charge and spin couplings in layered correlated materials. |
| first_indexed | 2024-03-10T17:20:59Z |
| format | Article |
| id | doaj.art-ff0cf855aa6c4218bdab56c8466dfcb4 |
| institution | Directory Open Access Journal |
| issn | 2662-4443 |
| language | English |
| last_indexed | 2024-03-10T17:20:59Z |
| publishDate | 2023-11-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Materials |
| spelling | doaj.art-ff0cf855aa6c4218bdab56c8466dfcb42023-11-20T10:21:29ZengNature PortfolioCommunications Materials2662-44432023-11-01411610.1038/s43246-023-00425-9Stacking and spin order in a van der Waals Mott insulator 1T-TaS2Jae Whan Park0Jinwon Lee1Han Woong Yeom2Center for Artificial Low Dimensional Electronic Systems, Institute for Basic Science (IBS)Center for Artificial Low Dimensional Electronic Systems, Institute for Basic Science (IBS)Center for Artificial Low Dimensional Electronic Systems, Institute for Basic Science (IBS)Abstract Quasi-two-dimensional charge density wave system of 1T-TaS2 has attracted recent interest due to topological excitations, emergent superconductivity, ultrafast synaptic functionality, and the possibility of a quantum spin liquid state. While electron correlation has been known to be essential in this system, the nature of its insulating phase is currently under debate. Here, we reinvestigate the origin of the insulating band structures of the 1T-TaS2 surface using density-functional theory calculations to consider the recently-raised issues such as interlayer coupling, surface effect, and interlayer spin ordering. We identify four distinct electronic states of the surface layer such as a 2D Mott phase, a strongly-coupled antiferromagnetic insulator, a weakly-coupled ferromagnetic insulator, and a small-gap semiconductor, depending on types of the surface termination and the interlayer spin configuration. These distinct surface electronic states explain the different sizes of spectroscopic band gaps observed in scanning tunneling microscopy, revealing the complexity of the interlayer charge and spin couplings in layered correlated materials.https://doi.org/10.1038/s43246-023-00425-9 |
| spellingShingle | Jae Whan Park Jinwon Lee Han Woong Yeom Stacking and spin order in a van der Waals Mott insulator 1T-TaS2 Communications Materials |
| title | Stacking and spin order in a van der Waals Mott insulator 1T-TaS2 |
| title_full | Stacking and spin order in a van der Waals Mott insulator 1T-TaS2 |
| title_fullStr | Stacking and spin order in a van der Waals Mott insulator 1T-TaS2 |
| title_full_unstemmed | Stacking and spin order in a van der Waals Mott insulator 1T-TaS2 |
| title_short | Stacking and spin order in a van der Waals Mott insulator 1T-TaS2 |
| title_sort | stacking and spin order in a van der waals mott insulator 1t tas2 |
| url | https://doi.org/10.1038/s43246-023-00425-9 |
| work_keys_str_mv | AT jaewhanpark stackingandspinorderinavanderwaalsmottinsulator1ttas2 AT jinwonlee stackingandspinorderinavanderwaalsmottinsulator1ttas2 AT hanwoongyeom stackingandspinorderinavanderwaalsmottinsulator1ttas2 |