Research data supporting "Multi-purpose Black-Phosphorus/hBN heterostructures"
Repository URI
Repository DOI
Change log
Authors
Hine, Nicholas D. M.
Description
This archive contains all input/output files used to generate the data in the publication "Multi-purpose Black-Phosphorus/hBN heterostructures" submitted to the journal Nano Letters. All linear-scaling DFT calculations were performed using ONETEP version 4.1.5.14, while all QuantumEspresso calculations were performed using Quantum Espresso 5.1. In most of the folders within the archive, metadata is provided (files named 'README').
This research data supports “Multi-purpose Black-Phosphorus/hBN heterostructures” which is published in “Nano Letters” at http://dx.doi.org/10.1021/acs.nanolett.6b00154
Version
Software / Usage instructions
Most of the files within the main ".tar" archive are simple text files, with extensions such as ".dat". Some files are gnuplot scripts with the extension ".script", while others are C++ source code with the extension ".cpp".
Keywords
2D heterostructures, tunneling transistor, linear-scaling DFT, electric fields
Publisher
University of Cambridge
Sponsorship
This work was supported by the Winton Programme for the Physics of Sustainability.