Journal ArticleDOI
Work function shifts, Schottky barrier height, and ionization potential determination of thin MgO films on Ag(001)
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TLDR
The electronic band structure and the work function of MgO thin films epitaxially grown on Ag(001) have been investigated using x-ray and ultraviolet photoelectron spectroscopy for various oxide thicknesses as discussed by the authors.Abstract:
The electronic band structure and the work function of MgO thin films epitaxially grown on Ag(001) have been investigated using x-ray and ultraviolet photoelectron spectroscopy for various oxide thicknesses. The deposition of thin MgO films on Ag(001) induces a strong diminution in the metal work function. The p-type Schottky barrier height is constant at 3.85+/-0.10 eV above two MgO monolayers and the experimental value of the ionization potential is 7.15+/-0.15 eV. Our results are well consistent with the description of the Schottky barrier height in terms of the Schottky-Mott model corrected by an MgO-induced polarization effect.read more
Citations
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Structure-property relationship and chemical aspects of oxide-metal hybrid nanostructures.
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Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers
Michael Hollerer,Daniel Lüftner,Philipp Hurdax,Thomas Ules,Serguei Soubatch,Frank Stefan Tautz,Georg Koller,Peter Puschnig,Martin Sterrer,Michael G. Ramsey +9 more
TL;DR: This study presents a comprehensive analysis of the phenomenon of charge transfer promoted by a dielectric interlayer with a comparative study of pentacene adsorbed on Ag(001) with and without an ultrathin MgO interlayer.
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Branch-point energies and the band-structure lineup at Schottky contacts and heterostrucures
TL;DR: In this paper, the branch-point energies of Si, the group-III nitrides AlN, GaN, and InN were determined from experimental valance-band offsets of their heterostructures.
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Reactive metal–oxide interfaces: A microscopic view
Andrea Picone,Michele Riva,Alberto Brambilla,Alberto Calloni,Gianlorenzo Bussetti,Marco Finazzi,Franco Ciccacci,Lamberto Duò +7 more
TL;DR: In this article, the authors provide a summary of the latest achievements in the understanding of metal/oxide and oxide/metal layered systems characterized by reactive interfaces and highlight the influence of the interface composition on the structural, electronic and magnetic properties.
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Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation
Yoyo Hinuma,Yoyo Hinuma,Yu Kumagai,Yu Kumagai,Isao Tanaka,Isao Tanaka,Fumiyasu Oba,Fumiyasu Oba +7 more
TL;DR: In this article, a dielectric-dependent hybrid functional, where the nonlocal Fock exchange mixing is set at the reciprocal of the static electronic dielectrics constant, is used as well as the Perdew-Burke-Ernzerhof (PBE0) hybrid functional.
References
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When Gold Is Not Noble: Nanoscale Gold Catalysts
A. Sanchez,Stéphane Abbet,Ueli Heiz,Wolf-Dieter Schneider,Hannu Häkkinen,Robert N. Barnett,Uzi Landman +6 more
TL;DR: In this article, temperature-programmed reaction studies of the catalyzed combustion of CO on size-selected small monodispersed Aun (n ≤ 20) gold clusters supported on magnesia, and first-principle simulations reveal the microscopic origins of the observed unusual catalytic activity, with Au8 being the smallest catalytically active size.
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Schottky Barrier Heights and the Continuum of Gap States
TL;DR: In this paper, the Schottky barrier heights for metal-semiconductor interfaces with a variety of metals have been calculated, and they are in excellent agreement with experiment for interfaces with various metals.
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Theory of Surface States
TL;DR: In this paper, it was shown that virtual or resonance surface states can exist which behave for practical purposes in the same way as the tails of the metal wave functions rather than separate states.
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Exchangelike Effects for Closed-Shell Adsorbates: Interface Dipole and Work Function
TL;DR: It is shown that the significant interface dipole commonly observed for atoms and molecules physisorbed on metal surfaces originates from exchangelike effects, and previously proposed contributions from chemical interactions do not play a significant role.
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Charging of metal atoms on ultrathin MgO/Mo(100) films.
TL;DR: D density functional theory plane wave calculations are used to show that charging of metal atoms with high electron affinity like Au is possible also in the absence of defects by atom deposition on ultrathin MgO films grown on Mo(100).