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Ab initio modeling framework for Majorana transport in 2D materials: towards topological quantum computing

Youseung Lee1*, Tarun Agarwal1, Mathieu Luisier1

1 Integrated Systems Laboratory, ETH Zürich, 8092 Zürich, Switzerland

* Corresponding authors emails: youslee@iis.ee.ethz.ch
DOI10.24435/materialscloud:8c-r3 [version v1]

Publication date: Oct 31, 2021

How to cite this record

Youseung Lee, Tarun Agarwal, Mathieu Luisier, Ab initio modeling framework for Majorana transport in 2D materials: towards topological quantum computing, Materials Cloud Archive 2021.185 (2021), doi: 10.24435/materialscloud:8c-r3.

Description

We present an ab initio modeling framework to simulate Majorana transport in 2D semiconducting materials, paving the way for topological qubits based on 2D nanoribbons. By combining density-functional-theory and quantum transport calculations, we show that the signature of Majorana bound states (MBSs) can be found in 2D material systems as zero-energy modes with peaks in the local density-of-states. The influence of spin-orbit coupling and external magnetic fields on Majorana transport is studied for two relevant 2D materials, WSe2 and PbI2. To illustrate the capabilities of the proposed ab initio platform, a device structure capable of hosting MBSs is created from a PbI2 nanoribbon and carefully investigated. These results are compared to InSb nanowires and used to provide design guidelines for 2D topological qubits.

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Files

File name Size Description
IEDM2020.zip
MD5md5:2b3dd1aed6ba0c79db0b9ca34ed3af41
15.3 MiB Input files for VASP and Wannier90 with and without spin-orbit coupling to reproduce Hamiltonians for PbI2 and WSe2, and OMEN transport characteristics
README.txt
MD5md5:8e303a7a06be1c195625530e90b23d24
765 Bytes README file

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

Keywords

MARVEL/DD3 SNSF ab initio Majorana Quantum Transport

Version history:

2021.185 (version v1) [This version] Oct 31, 2021 DOI10.24435/materialscloud:8c-r3