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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 …
Publication date: 
12 Jan 2024

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

Biblio References: 
Pages: 2300810
Advanced Materials Interfaces