An exfoliable transition metal chalcogenide semiconductor NbSe2I2

09 October 2023, Version 2
This content is a preprint and has not undergone peer review at the time of posting.


As the field of exfoliated van der Waals electronics grows to include complex heterostructures, the variety of available in-plane symmetries and geometries becomes increasingly valuable. In this work, we present an efficient chemical vapor transport synthesis of NbSe2I2 with triclinic space group P-1. This material contains Nb–Nb dimers and an inplane crystallographic angle γ = 61.3◦. We show that NbSe2I2 can be exfoliated down to few-layer and mono-layer structures and used Raman spectroscopy to test the preservation of crystal structure of exfoliated thin films. The crystal structure was verified by singlecrystal and powder X-ray diffraction. Density functional theory calculations show triclinic NbSe2I2 to be a semiconductor with a band gap of around 1 eV, with similar band structure features for bulk and mono-layer crystals. The physical properties of NbSe2I2 have been characterized by transport, thermal, optical, and magnetic measurements, demonstrating triclinic NbSe2I2 to be a diamagnetic semiconductor that does not exhibit any phase transformation below room temperature.


2D material
material exfoliation
transition metal chalcogenides


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