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@INPROCEEDINGS{AntogniniSilva:1020446,
author = {Antognini Silva, David},
collaboration = {Rüssmann, Philipp and Blügel, Stefan},
title = {{M}aterials for quantum computing : {M}agnetic impurities
embedded in superconductors from first principles},
reportid = {FZJ-2024-00166},
year = {2023},
abstract = {In the last decades, immense technological and scientific
progress was made thanks to the increasing available
calculation power provided by the exponential growth of
processor capability. However, the miniaturization of
transistors is reaching the physical limits of classical
processor architectures. In the future, the next big leap
for scientific computing is expected to come from the
realization of quantum computers. Making more performant
quantum computing platforms requires to overcome challenges
of decoherence and dephasing of the qubits that form the
building blocks for quantum computers. Topological
protection is a viable way towards the realization of fault
tolerant qubits.Materials that combine magnetism, spin-orbit
interaction and conventional s-wave superconductivity are a
suitable platform to study Majorana zero modes (MZM) [1],
that can be used as building blocks for fault-tolerant
topological qubits. In general, magnetic impurities in
superconductors leads to localized Yu-Shiba-Rusinov (YSR)
states at the impurity [2]. Understanding their interplay
with MZMs is crucial to achieve topological quantum
computers in the future. In our work, we implemented the
Bogoliubov-de Gennes (BdG) formalism in the juKKR
Korringa-Kohn-Rostoker Green function impurity code [3] to
allow the material-specific description of defects perfectly
embedded in superconductors from first principles. We apply
it to an Fe impurity embedded in bulk Pb in the normal and
superconducting state, then analyze the YSR states of
different magnetic transition-metal adatoms placed on a
superconducting Nb(110) surface where the influence of the
impurity-substrate distance on the energy of the YSR states
is discussed.[1] Nadj-Perge et al., Science 346, 6209
(2014).[2] L. Yu, Acta Physica Sinica 21, 75 (1965); H.
Shiba, Prog. Theor. Phys. 40, 435 (1968); A. I. Rusinov,
Sov. J. Exp. Theor. Phys. 29, 1101 (1969).[3]
https://iffgit.fz-juelich.de/kkr/jukkr},
month = {May},
date = {2023-05-29},
organization = {EMRS Spring Meeting 2023, Strasbourg
(France), 29 May 2023 - 2 Jun 2023},
subtyp = {Other},
cin = {IAS-1 / PGI-1},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
pnm = {5211 - Topological Matter (POF4-521) / DFG project
390534769 - EXC 2004: Materie und Licht für
Quanteninformation (ML4Q) (390534769)},
pid = {G:(DE-HGF)POF4-5211 / G:(GEPRIS)390534769},
typ = {PUB:(DE-HGF)6},
url = {https://juser.fz-juelich.de/record/1020446},
}