Insights into the Stability and Surface Termination of Topological Semimetal NbAs2
Abstract NbAs2, a topological semimetal, has stirred considerable interest for its potential usage in magnetic and fault‐tolerant quantum computation superconductor devices, owing to its superconductivity, enormous magnetoresistance, and anisotropic magneto‐transport attributes. Yet, its environment...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley-VCH
2024-04-01
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| Series: | Advanced Materials Interfaces |
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| Online Access: | https://doi.org/10.1002/admi.202300810 |
| _version_ | 1797220591816671232 |
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| author | Gianluca D'Olimpio Yanxue Zhang Marcin Rosmus Silvia Nappini Atasi Chakraborty Natalia Olszowska Luca Ottaviano Raman Sankar Amit Agarwal Federica Bondino Junfeng Gao Antonio Politano |
| author_facet | Gianluca D'Olimpio Yanxue Zhang Marcin Rosmus Silvia Nappini Atasi Chakraborty Natalia Olszowska Luca Ottaviano Raman Sankar Amit Agarwal Federica Bondino Junfeng Gao Antonio Politano |
| author_sort | Gianluca D'Olimpio |
| collection | DOAJ |
| description | Abstract NbAs2, a topological semimetal, has stirred considerable interest for its potential usage in magnetic and fault‐tolerant quantum computation superconductor devices, owing to its superconductivity, enormous magnetoresistance, and anisotropic magneto‐transport attributes. Yet, its environmental stability, a crucial factor for practical applications, remains largely unexplored. Herein, a comprehensive examination of the stability and electronic properties of the (001) surface of NbAs2 utilizing density functional theory (DFT) and surface science experiments is conducted. The theoretical deductions reveal that As atoms, organized in a buckled honeycomb configuration, terminate the bare (001) surface, akin to the tensile blue arsenene monolayer along the armchair direction. This study further demonstrates that the oxidation barrier is particularly low (only 0.2 eV), highlighting that the (001) surface is highly prone to oxidation under standard conditions, forming a As2O5+Nb2O5/NbAs2 heterostructure. Additionally, it observes that oxidation adversely affects the electronic characteristics of the topological semimetal NbAs2. The conclusions underscore the need for NbAs2 to be managed under high vacuum conditions or to be encapsulated for any usage in the ambient atmosphere in order to retain its electronic properties for practical purposes. |
| first_indexed | 2024-04-24T12:51:59Z |
| format | Article |
| id | doaj.art-498298c496a249509e96b44cde860e61 |
| institution | Directory Open Access Journal |
| issn | 2196-7350 |
| language | English |
| last_indexed | 2024-04-24T12:51:59Z |
| publishDate | 2024-04-01 |
| publisher | Wiley-VCH |
| record_format | Article |
| series | Advanced Materials Interfaces |
| spelling | doaj.art-498298c496a249509e96b44cde860e612024-04-06T04:18:59ZengWiley-VCHAdvanced Materials Interfaces2196-73502024-04-011110n/an/a10.1002/admi.202300810Insights into the Stability and Surface Termination of Topological Semimetal NbAs2Gianluca D'Olimpio0Yanxue Zhang1Marcin Rosmus2Silvia Nappini3Atasi Chakraborty4Natalia Olszowska5Luca Ottaviano6Raman Sankar7Amit Agarwal8Federica Bondino9Junfeng Gao10Antonio Politano11Department of Physical and Chemical Sciences University of L'Aquila Via Vetoio L'Aquila 67100 ItalyKey Laboratory of Materials Modification by Laser Ion and Electron Beams (Dalian University of Technology) Ministry of Education School of Physics Dalian 116024 ChinaNational Synchrotron Radiation Centre SOLARIS Jagiellonian University Czerwone Maki 98 Kraków PL‐30392 PolandIstituto Officina dei Materiali (IOM)–CNR Area Science Park Trieste I‐34149 ItalyDepartment of Physics Indian Institute of Technology Kanpur Kanpur 208016 IndiaNational Synchrotron Radiation Centre SOLARIS Jagiellonian University Czerwone Maki 98 Kraków PL‐30392 PolandDepartment of Physical and Chemical Sciences University of L'Aquila Via Vetoio L'Aquila 67100 ItalyInstitute of Physics Academia Sinica Nankang Taipei 11529 TaiwanDepartment of Physics Indian Institute of Technology Kanpur Kanpur 208016 IndiaIstituto Officina dei Materiali (IOM)–CNR Area Science Park Trieste I‐34149 ItalyKey Laboratory of Materials Modification by Laser Ion and Electron Beams (Dalian University of Technology) Ministry of Education School of Physics Dalian 116024 ChinaDepartment of Physical and Chemical Sciences University of L'Aquila Via Vetoio L'Aquila 67100 ItalyAbstract NbAs2, a topological semimetal, has stirred considerable interest for its potential usage in magnetic and fault‐tolerant quantum computation superconductor devices, owing to its superconductivity, enormous magnetoresistance, and anisotropic magneto‐transport attributes. Yet, its environmental stability, a crucial factor for practical applications, remains largely unexplored. Herein, a comprehensive examination of the stability and electronic properties of the (001) surface of NbAs2 utilizing density functional theory (DFT) and surface science experiments is conducted. The theoretical deductions reveal that As atoms, organized in a buckled honeycomb configuration, terminate the bare (001) surface, akin to the tensile blue arsenene monolayer along the armchair direction. This study further demonstrates that the oxidation barrier is particularly low (only 0.2 eV), highlighting that the (001) surface is highly prone to oxidation under standard conditions, forming a As2O5+Nb2O5/NbAs2 heterostructure. Additionally, it observes that oxidation adversely affects the electronic characteristics of the topological semimetal NbAs2. The conclusions underscore the need for NbAs2 to be managed under high vacuum conditions or to be encapsulated for any usage in the ambient atmosphere in order to retain its electronic properties for practical purposes.https://doi.org/10.1002/admi.202300810topological materialspintronicsoxidationheterostructure |
| spellingShingle | Gianluca D'Olimpio Yanxue Zhang Marcin Rosmus Silvia Nappini Atasi Chakraborty Natalia Olszowska Luca Ottaviano Raman Sankar Amit Agarwal Federica Bondino Junfeng Gao Antonio Politano Insights into the Stability and Surface Termination of Topological Semimetal NbAs2 Advanced Materials Interfaces topological material spintronics oxidation heterostructure |
| title | Insights into the Stability and Surface Termination of Topological Semimetal NbAs2 |
| title_full | Insights into the Stability and Surface Termination of Topological Semimetal NbAs2 |
| title_fullStr | Insights into the Stability and Surface Termination of Topological Semimetal NbAs2 |
| title_full_unstemmed | Insights into the Stability and Surface Termination of Topological Semimetal NbAs2 |
| title_short | Insights into the Stability and Surface Termination of Topological Semimetal NbAs2 |
| title_sort | insights into the stability and surface termination of topological semimetal nbas2 |
| topic | topological material spintronics oxidation heterostructure |
| url | https://doi.org/10.1002/admi.202300810 |
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