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Ab Initio Transport Calculations: From Normal to Superconducting Current

Conference ·
DOI:https://doi.org/10.1117/12.2683277· OSTI ID:2274792
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Applying the Bogoliubov-de Gennes equations with density-functional theory, it is possible to formulate first principles description of current-phase relationships in superconducting/normal (magnetic)/superconducting tri-layers. Such structures are the basis for the superconducting analog of Magnetoresistive random access memory devices (JMRAM). In a recent paper1 we presented results from the first attempt to formulate such a theory, applied to the Nb/Ni/Nb trilayers. In the present work we provide computational details, explaining how to construct key ingredient (scattering matrices SN ) in a framework of linear muffin-tin orbitals (LMTO).

Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
AC36-08GO28308
OSTI ID:
2274792
Report Number(s):
NREL/CP-5F00-88327; MainId:89103; UUID:af7089aa-b0e0-45d9-935e-1d0228d0a8f2; MainAdminID:71342
Resource Relation:
Conference: Presented at Spintronics XVI, 20-24 August 2023, San Diego, California
Country of Publication:
United States
Language:
English

References (9)

Supercurrent decay in ballistic magnetic Josephson junctions journal January 2022
Single fermion manipulation via superconducting phase differences in multiterminal Josephson junctions journal October 2014
Andreev Reflection in Ferromagnet-Superconductor Junctions journal February 1995
Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique journal April 2020
Ab initio tight-binding LMTO method for nonequilibrium electron transport in nanosystems journal May 2005
Relation between conductivity and transmission matrix journal June 1981
Difference-equation approach to the electronic structures of surfaces, interfaces, and superlattices journal January 1989
First-principles treatments of electron transport properties for nanoscale junctions journal May 2003
Solution of Linear Generalized Eigenvalue Problems Containing Singular Matrices journal January 1978

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Related Subjects

CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
density-functional theory
JMRAM
Josephson junctions