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DFT data for „Uniaxial structural flexibility of an anisotropic Br adlayer structure on Au(100) electrodes revealed by video-rate STM“

The archive contains density functional theory (DFT) data for the publication „Chalong Yang, Falk Wendorff, Sönke Buttenschön, Eckhard Pehlke, and Olaf M. Magnussen, Uniaxial structural flexibility of an anisotropic Br adlayer structure on Au(100) electrodes revealed by video-rate STM, Comms. Mat. (2026)“ (DOI: https://doi.org/10.1038/s43246-026-01195-w).

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Data Structure

README file and compressed tar-archive containing DFT data for publication [1] . Data have been created using programs from the software package ”Quantum ESPRESSO“ [2,3]. Pseudopotentials from the GBRV library [4] have been used. Data is based on previous work and DFT data by S. Buttenschön [5]. Please cite the relevant publications when using the data.

[1] C. Yang et al., original publication, Commun. Mater. (2026) https://doi.org/10.1038/s43246-026-01195-w .
[2] P. Giannozzi et al., J. Phys. Condens. Matter 21 395502 (2009).
[3] P. Giannozzi et al., J. Phys. Condens. Matter 29 465901 (2017).

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Category

Date Issued:
24.05.2026
DOI:
10.57892/100-358
Projekt ID:
Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 504552981
Language:
English
Type of Resource:
Mixed
DDC subject of DNB:
530 Physics
Hosting institution:
Faculties, Faculty of Mathematics and Natural Sciences
External Link
Affiliated journal article: Uniaxial structural flexibility of an anisotropic Br adlayer structure on Au(100) electrodes revealed by video-rate STM

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Use and reproduction:
ODC-By 1.0 - Attribution License