Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration
Abstract
The EuS/InAs interface has recently attracted attention for the possibility of inducing magnetic exchange correlations in a strong spin-orbit semiconductor, which could be useful for topological quantum devices. We use density functional theory with a machine-learned Hubbard U correction [Yu et al., npj Comput. Mater. 6, 180 (2020)] to elucidate the effect of the bonding configuration at the interface on the electronic structure. For all interface configurations considered here, we find that the EuS valence band maximum (VBM) lies below the InAs VBM. In addition, dispersed states emerge at the top of the InAs VBM at the interface, which do not exist in either material separately. These states are contributed mainly by the InAs layer adjacent to the interface. They are localized at the interface and may be attributed to charge transfer from the EuS to the InAs. The interface configuration affects the position of the EuS VBM with respect to the InAs VBM, as well as the dispersion of the interface states. For all interface configurations studied here, the induced magnetic moment in the InAs is small. Our results suggest that this interface, in its coherent form studied here, may not be promising for inducing equilibrium magnetic properties inmore »
- Authors:
-
[1];
[1]
- Carnegie Mellon Univ., Pittsburgh, PA (United States)
- Univ. of Minnesota, Minneapolis, MN (United States)
- Publication Date:
- Research Org.:
- Univ. of Minnesota, Minneapolis, MN (United States); Univ. of California, Oakland, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1852994
- Grant/Contract Number:
- SC0019274; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 6; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Materials Science; Electronic structure; First-principles calculations; Surface & interfacial phenomena
Citation Formats
Yu, Maituo, Moayedpour, Saeed, Yang, Shuyang, Dardzinski, Derek, Wu, Chunzhi, Pribiag, Vlad S., and Marom, Noa. Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration. United States: N. p., 2021.
Web. doi:10.1103/physrevmaterials.5.064606.
Yu, Maituo, Moayedpour, Saeed, Yang, Shuyang, Dardzinski, Derek, Wu, Chunzhi, Pribiag, Vlad S., & Marom, Noa. Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration. United States. https://doi.org/10.1103/physrevmaterials.5.064606
Yu, Maituo, Moayedpour, Saeed, Yang, Shuyang, Dardzinski, Derek, Wu, Chunzhi, Pribiag, Vlad S., and Marom, Noa. Tue .
"Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration". United States. https://doi.org/10.1103/physrevmaterials.5.064606. https://www.osti.gov/servlets/purl/1852994.
@article{osti_1852994,
title = {Dependence of the electronic structure of the EuS/InAs interface on the bonding configuration},
author = {Yu, Maituo and Moayedpour, Saeed and Yang, Shuyang and Dardzinski, Derek and Wu, Chunzhi and Pribiag, Vlad S. and Marom, Noa},
abstractNote = {The EuS/InAs interface has recently attracted attention for the possibility of inducing magnetic exchange correlations in a strong spin-orbit semiconductor, which could be useful for topological quantum devices. We use density functional theory with a machine-learned Hubbard U correction [Yu et al., npj Comput. Mater. 6, 180 (2020)] to elucidate the effect of the bonding configuration at the interface on the electronic structure. For all interface configurations considered here, we find that the EuS valence band maximum (VBM) lies below the InAs VBM. In addition, dispersed states emerge at the top of the InAs VBM at the interface, which do not exist in either material separately. These states are contributed mainly by the InAs layer adjacent to the interface. They are localized at the interface and may be attributed to charge transfer from the EuS to the InAs. The interface configuration affects the position of the EuS VBM with respect to the InAs VBM, as well as the dispersion of the interface states. For all interface configurations studied here, the induced magnetic moment in the InAs is small. Our results suggest that this interface, in its coherent form studied here, may not be promising for inducing equilibrium magnetic properties in InAs.},
doi = {10.1103/physrevmaterials.5.064606},
journal = {Physical Review Materials},
number = 6,
volume = 5,
place = {United States},
year = {Tue Jun 29 00:00:00 EDT 2021},
month = {Tue Jun 29 00:00:00 EDT 2021}
}
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Works referenced in this record:
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Topological quantum computation
journal, October 2002
- Freedman, Michael H.; Kitaev, Alexei; Larsen, Michael J.
- Bulletin of the American Mathematical Society, Vol. 40, Issue 01
Inducing magnetism onto the surface of a topological crystalline insulator
journal, May 2015
- Assaf, B. A.; Katmis, F.; Wei, P.
- Physical Review B, Vol. 91, Issue 19
Spin-Resolved Tunneling Studies of the Exchange Field in Bilayers
journal, June 2011
- Xiong, Y. M.; Stadler, S.; Adams, P. W.
- Physical Review Letters, Vol. 106, Issue 24
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Majorana Fermions and a Topological Phase Transition in Semiconductor-Superconductor Heterostructures
journal, August 2010
- Lutchyn, Roman M.; Sau, Jay D.; Das Sarma, S.
- Physical Review Letters, Vol. 105, Issue 7
Electrical detection of spin transport in lateral ferromagnet–semiconductor devices
journal, February 2007
- Lou, Xiaohua; Adelmann, Christoph; Crooker, Scott A.
- Nature Physics, Vol. 3, Issue 3
Structural and electronic properties of narrow-band-gap semiconductors: InP, InAs, and InSb
journal, June 1990
- Massidda, S.; Continenza, A.; Freeman, A. J.
- Physical Review B, Vol. 41, Issue 17
Supercurrent in Nb/InAs-nanowire/Nb Josephson junctions
journal, August 2012
- Günel, H. Y.; Batov, I. E.; Hardtdegen, H.
- Journal of Applied Physics, Vol. 112, Issue 3
Magnetic field driven nodal topological superconductivity in monolayer transition metal dichalcogenides
journal, July 2018
- He, Wen-Yu; Zhou, Benjamin T.; He, James J.
- Communications Physics, Vol. 1, Issue 1
Helical Liquids and Majorana Bound States in Quantum Wires
journal, October 2010
- Oreg, Yuval; Refael, Gil; von Oppen, Felix
- Physical Review Letters, Vol. 105, Issue 17
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Structural, electronic, and magnetic properties of the europium chalcogenides: A hybrid-functional DFT study
journal, September 2013
- Schlipf, Martin; Betzinger, Markus; Ležaić, Marjana
- Physical Review B, Vol. 88, Issue 9
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Topological properties of SnSe/EuS and SnTe/CaTe interfaces
journal, March 2020
- Yang, Shuyang; Wu, Chunzhi; Marom, Noa
- Physical Review Materials, Vol. 4, Issue 3
The optical electrical and magnetic properties of the europium chalcogenides and the rare earth pnictides
journal, July 1972
- Wachter, P.
- C R C Critical Reviews in Solid State Sciences, Vol. 3, Issue 2
Unpaired Majorana fermions in quantum wires
journal, October 2001
- Kitaev, A. Yu
- Physics-Uspekhi, Vol. 44, Issue 10S
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
journal, February 2009
- Tkatchenko, Alexandre; Scheffler, Matthias
- Physical Review Letters, Vol. 102, Issue 7
Zero-bias peaks at zero magnetic field in ferromagnetic hybrid nanowires
journal, September 2020
- Vaitiekėnas, S.; Liu, Y.; Krogstrup, P.
- Nature Physics, Vol. 17, Issue 1
Coherent Epitaxial Semiconductor–Ferromagnetic Insulator InAs/EuS Interfaces: Band Alignment and Magnetic Structure
journal, December 2019
- Liu, Yu; Luchini, Alessandra; Martí-Sánchez, Sara
- ACS Applied Materials & Interfaces, Vol. 12, Issue 7
The physics and chemistry of the Schottky barrier height
journal, January 2014
- Tung, Raymond T.
- Applied Physics Reviews, Vol. 1, Issue 1
Band alignment and chemical bonding at the GaAs/Al 2 O 3 interface: A hybrid functional study
journal, November 2015
- Colleoni, Davide; Miceli, Giacomo; Pasquarello, Alfredo
- Applied Physics Letters, Vol. 107, Issue 21
Transport Studies of Epi-Al/InAs Two-Dimensional Electron Gas Systems for Required Building-Blocks in Topological Superconductor Networks
journal, March 2019
- Lee, Joon Sue; Shojaei, Borzoyeh; Pendharkar, Mihir
- Nano Letters, Vol. 19, Issue 5
Generic New Platform for Topological Quantum Computation Using Semiconductor Heterostructures
journal, January 2010
- Sau, Jay D.; Lutchyn, Roman M.; Tewari, Sumanta
- Physical Review Letters, Vol. 104, Issue 4
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Valence-band offsets at strained Si/Ge interfaces
journal, September 1991
- Colombo, L.; Resta, R.; Baroni, S.
- Physical Review B, Vol. 44, Issue 11
Strong Interfacial Exchange Field in a Heavy Metal/Ferromagnetic Insulator System Determined by Spin Hall Magnetoresistance
journal, July 2020
- Gomez-Perez, Juan M.; Zhang, Xian-Peng; Calavalle, Francesco
- Nano Letters, Vol. 20, Issue 9
Majorana zero modes in superconductor–semiconductor heterostructures
journal, May 2018
- Lutchyn, R. M.; Bakkers, E. P. A. M.; Kouwenhoven, L. P.
- Nature Reviews Materials, Vol. 3, Issue 5
Spin Transport in Ferromagnet-InSb Nanowire Quantum Devices
journal, April 2020
- Yang, Zedong; Heischmidt, Brett; Gazibegovic, Sasa
- Nano Letters, Vol. 20, Issue 5
Proximity Effect Induced Spin Injection in Phosphorene on Magnetic Insulator
journal, October 2017
- Chen, Haoqi; Li, Bin; Yang, Jinlong
- ACS Applied Materials & Interfaces, Vol. 9, Issue 44
Hysteretic magnetoresistance in nanowire devices due to stray fields induced by micromagnets
journal, December 2020
- Jiang, Y.; de Jong, E. J.; van de Sande, V.
- Nanotechnology, Vol. 32, Issue 9
Strong interfacial exchange field in the graphene/EuS heterostructure
journal, March 2016
- Wei, Peng; Lee, Sunwoo; Lemaitre, Florian
- Nature Materials, Vol. 15, Issue 7
Superconducting proximity effect in epitaxial Al-InAs heterostructures
journal, March 2019
- Mayer, William; Yuan, Joseph; Wickramasinghe, Kaushini S.
- Applied Physics Letters, Vol. 114, Issue 10
Electronic structure and magneto-optical properties of magnetic semiconductors: Europium monochalcogenides
journal, September 2004
- Ghosh, Dipta Bhanu; De, Molly; De, S. K.
- Physical Review B, Vol. 70, Issue 11
Semiconductor–Ferromagnetic Insulator–Superconductor Nanowires: Stray Field and Exchange Field
journal, November 2019
- Liu, Yu; Vaitiekėnas, Saulius; Martí-Sánchez, Sara
- Nano Letters, Vol. 20, Issue 1
Observation of spin-polarized-electron tunneling from a ferromagnet into GaAs
journal, March 1992
- Alvarado, Santos F.; Renaud, Philippe
- Physical Review Letters, Vol. 68, Issue 9
Superconducting Spin Switch with Infinite Magnetoresistance Induced by an Internal Exchange Field
journal, February 2013
- Li, Bin; Roschewsky, Niklas; Assaf, Badih A.
- Physical Review Letters, Vol. 110, Issue 9
Anomalous Zero-Bias Conductance Peak in a Nb–InSb Nanowire–Nb Hybrid Device
journal, February 2012
- Deng, M. T.; Yu, C. L.; Huang, G. Y.
- Nano Letters, Vol. 12, Issue 12
Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization
journal, November 2020
- Yu, Maituo; Yang, Shuyang; Wu, Chunzhi
- npj Computational Materials, Vol. 6, Issue 1
Introduction to topological superconductivity and Majorana fermions
journal, November 2012
- Leijnse, Martin; Flensberg, Karsten
- Semiconductor Science and Technology, Vol. 27, Issue 12
Room-Temperature Spin Injection from Fe into GaAs
journal, June 2001
- Zhu, H. J.; Ramsteiner, M.; Kostial, H.
- Physical Review Letters, Vol. 87, Issue 1
Two-stage proximity-induced gap opening in topological-insulator–insulating-ferromagnet – bilayers
journal, August 2018
- Yang, Qi I.; Kapitulnik, Aharon
- Physical Review B, Vol. 98, Issue 8
Electron-Spin Polarization in Tunnel Junctions in Zero Applied Field with Ferromagnetic EuS Barriers
journal, August 1988
- Moodera, J. S.; Hao, X.; Gibson, G. A.
- Physical Review Letters, Vol. 61, Issue 5
The magnetic proximity effect and electrical field tunable valley degeneracy in MoS 2 /EuS van der Waals heterojunctions
journal, January 2017
- Liang, Xiao; Deng, Longjiang; Huang, Fei
- Nanoscale, Vol. 9, Issue 27
Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991
- Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
- Physical Review B, Vol. 44, Issue 3, p. 943-954
Non-Abelian anyons and topological quantum computation
journal, September 2008
- Nayak, Chetan; Simon, Steven H.; Stern, Ady
- Reviews of Modern Physics, Vol. 80, Issue 3
Conditions for efficient spin injection from a ferromagnetic metal into a semiconductor
journal, October 2001
- Fert, A.; Jaffrès, H.
- Physical Review B, Vol. 64, Issue 18
Fault-tolerant quantum computation by anyons
journal, January 2003
- Kitaev, A. Yu.
- Annals of Physics, Vol. 303, Issue 1
Superconducting Proximity Effect and Majorana Fermions at the Surface of a Topological Insulator
journal, March 2008
- Fu, Liang; Kane, C. L.
- Physical Review Letters, Vol. 100, Issue 9
Majorana zero modes and topological quantum computation
journal, October 2015
- Sarma, Sankar Das; Freedman, Michael; Nayak, Chetan
- npj Quantum Information, Vol. 1, Issue 1
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
journal, December 1992
- Neugebauer, Jörg; Scheffler, Matthias
- Physical Review B, Vol. 46, Issue 24
Majorana fermions in a tunable semiconductor device
journal, March 2010
- Alicea, Jason
- Physical Review B, Vol. 81, Issue 12
Spin injection and relaxation in ferromagnet-semiconductor heterostructures
journal, March 2005
- Adelmann, C.; Lou, X.; Strand, J.
- Physical Review B, Vol. 71, Issue 12
A high-temperature ferromagnetic topological insulating phase by proximity coupling
journal, May 2016
- Katmis, Ferhat; Lauter, Valeria; Nogueira, Flavio S.
- Nature, Vol. 533, Issue 7604
Accurate band structures and effective masses for InP, InAs, and InSb using hybrid functionals
journal, July 2009
- Kim, Yoon-Suk; Hummer, Kerstin; Kresse, Georg
- Physical Review B, Vol. 80, Issue 3
Zero-bias peaks and splitting in an Al–InAs nanowire topological superconductor as a signature of Majorana fermions
journal, November 2012
- Das, Anindya; Ronen, Yuval; Most, Yonatan
- Nature Physics, Vol. 8, Issue 12
Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered alloys
journal, June 2016
- Steiner, Soner; Khmelevskyi, Sergii; Marsmann, Martijn
- Physical Review B, Vol. 93, Issue 22
Non-Abelian quantum order in spin-orbit-coupled semiconductors: Search for topological Majorana particles in solid-state systems
journal, December 2010
- Sau, Jay D.; Tewari, Sumanta; Lutchyn, Roman M.
- Physical Review B, Vol. 82, Issue 21
Efficient electrical spin injection from a magnetic metal/tunnel barrier contact into a semiconductor
journal, February 2002
- Hanbicki, A. T.; Jonker, B. T.; Itskos, G.
- Applied Physics Letters, Vol. 80, Issue 7
Creation of equal-spin triplet superconductivity at the Al/EuS interface
journal, December 2018
- Diesch, S.; Machon, P.; Wolz, M.
- Nature Communications, Vol. 9, Issue 1
Pb/InAs Nanowire Josephson Junction with High Critical Current and Magnetic Flux Focusing
journal, February 2015
- Paajaste, J.; Amado, M.; Roddaro, S.
- Nano Letters, Vol. 15, Issue 3