Recommended by

Indexed by

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.


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.

Materials Cloud sections using this data

No Explore or Discover sections associated with this archive record.


File name Size Description
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
765 Bytes README file


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.


MARVEL/DD3 SNSF ab initio Majorana Quantum Transport

Version history:

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