Unraveling the Atomic Structure of the R(15×12) Reconstruction of Carburized W{110} Based on Ab Initio Calculations

11 Pages Posted: 25 Oct 2022

See all articles by Ye Wang

Ye Wang

affiliation not provided to SSRN

Veronika Zadin

affiliation not provided to SSRN

Andreas Kyritsakis

affiliation not provided to SSRN

Abstract

Carburized W(110) surfaces exhibit a nm-scale rectangular periodicity on their surface properties, thus providing an excellent platform for the assembly of self-organized nanostructures, i.e., nano-patterning. Understanding their atomic structure and surface properties is essential for their further exploitation in this direction. Two types of such surface reconstructions have been observed, namely the R(15×3) and the R(15×12). Although the atomic structure of the R(15×3) surface has been recently discovered, the one of the R(15×12) remains unknown. In this work, we propose a new atomic structure model for the R(15×12) surface. We then employ density functional theory calculations to show that the proposed model is consistent with the experimental scanning tunnelling microscopy imaging of the surfaces.

Keywords: Density Functional Theory, Carburized tungsten, Nano-patterning templates, Atomic surface structure, Scanning tunneling microscopy

Suggested Citation

Wang, Ye and Zadin, Veronika and Kyritsakis, Andreas, Unraveling the Atomic Structure of the R(15×12) Reconstruction of Carburized W{110} Based on Ab Initio Calculations. Available at SSRN: https://ssrn.com/abstract=4257108 or http://dx.doi.org/10.2139/ssrn.4257108

Ye Wang

affiliation not provided to SSRN ( email )

No Address Available

Veronika Zadin

affiliation not provided to SSRN ( email )

No Address Available

Andreas Kyritsakis (Contact Author)

affiliation not provided to SSRN ( email )

No Address Available

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