In-situ STS studies and first principles calculations on bare and Sn adsorbed UHV exfoliated WS2layers

Autor: Mohan, Manu, Kumar Singh, Vipin, Ranjan Sahoo, Mihir, S, Reshmi, Roy Barman, Sudipta, Bhattacharjee, Kuntala
Zdroj: IOP Conference Series: Materials Science and Engineering; March 2022, Vol. 1221 Issue: 1 p012046-012046, 1p
Abstrakt: Abstarct. Two dimensional (2D) derivatives of tin (Sn) have obtained special deliberations recently due to practical realization of planar, as well as, buckled hexagonal lattice of Sn called stanene. However, it has been observed that proper choice of substrate is very important for growth of stanene like films owing to large core size of Sn that prefers sp3hybridization over sp2. Transition metal dichalcogenides (TMDs) like MoS2or WS2with honey comb lattice structure seem to be promising substrate candidates for 2D growth of Sn. In the present work, we report mechanical exfoliation of few layers of WS2under ultra-high vacuum (UHV) conditions and investigations of growth and local electronic structure by in-situ scanning tunneling microscopy (STM) and spectroscopy (STS) studies. Flat WS2surface with honeycomb lattice structure in the atomic scale with a lattice constant of 0.34 nm is evident in the STM investigations, whereas, STS measurements reveal local density of states (LDOS) of WS2with a bandgap of approximately 1.34 eV. Density functional theory (DFT) calculations performed by considering bulk WS2reveal conduction and valence band states comprised of S pand W dat both sides of the Fermi energy (EF) and an indirect bandgap of 1.38 eV. Experimental observations upon Sn adsorption, reveal commensurate growth of Sn atoms on the sulfur `S’ sites with a buckling height of 40 ±10 pm. STS measurements exhibit local electronic structure of the Sn adsorbed surface with clear evidence of in-gap states. DFT calculations quantify the experimental results demonstrating `S’ sites as the most stable sites for the atomic adsorption of Sn with a buckling height of around 80 pm and reveal signature of in-gap hybridized states comprised of Sn pand W dorbitals.
Databáze: Supplemental Index