Observation of floating surface state in obstructed atomic insulator candidate NiP${}_2$

Abstract

Obstructed atomic insulator is recently proposed as an unconventional material, in which electric charge centers localized at sites away from the atoms. A half-filling surface state would emerge at specific interfaces cutting through these charge centers and avoid intersecting any atoms. In this article, we utilized angle-resolved photoemission spectroscopy and density functional theory calculations to study one of the obstructed atomic insulator candidates, NiP${}_2$. A floating surface state with large effective mass that is isolated from all bulk states is resolved on the (100) cleavage plane, distinct from previously reported surface states in obstructed atomic insulators that are merged into bulk bands. Density functional theory calculation results elucidate that this floating surface state is originated from the obstructed Wannier charge centers, albeit underwent surface reconstruction that splits the half-filled obstructed surface state. Our findings not only shed lights on the spectroscopy study of obstructed atomic insulators and obstructed surface states, but also provide possible route for development of new catalysts.

21 pages, 5 figures

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