<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Lee, Youseung</dc:creator> <dc:creator>Agarwal, Tarun</dc:creator> <dc:creator>Luisier, Mathieu</dc:creator> <dc:date>2021-10-31</dc:date> <dc: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.</dc:description> <dc:identifier>https://archive.materialscloud.org/record/2021.185</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:8c-r3</dc:identifier> <dc:identifier>mcid:2021.185</dc:identifier> <dc:identifier>oai:materialscloud.org:1098</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights> <dc:subject>MARVEL/DD3</dc:subject> <dc:subject>SNSF</dc:subject> <dc:subject>ab initio</dc:subject> <dc:subject>Majorana</dc:subject> <dc:subject>Quantum Transport</dc:subject> <dc:title>Ab initio modeling framework for Majorana transport in 2D materials: towards topological quantum computing</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>