Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment

DEP Vanpoucke - Journal of Physics: Condensed Matter, 2014 - iopscience.iop.org
Atomic scale nanowires attract enormous interest in a wide range of fields. On the one hand,
due to their quasi-one-dimensional nature, they can act as an experimental testbed for …

Si (775)-Au atomic chains: Geometry, optical properties, and spin order

C Braun, C Hogan, S Chandola, N Esser, S Sanna… - Physical Review …, 2017 - APS
The geometry and electronic structure of self-assembled atomic scale Au wires on Si (775)
are investigated within density functional theory. The calculated surface diagram indicates …

Optical Fingerprints of Si Honeycomb Chains and Atomic Gold Wires<? format?> on the Si (111)-(5<? format?>×<? format?> 2)-Au Surface

C Hogan, E Ferraro, N McAlinden, JF McGilp - Physical Review Letters, 2013 - APS
The intensively studied Si (111)-(5× 2)-Au surface is reexamined using reflectance
anisotropy spectroscopy and density functional theory simulations. We identify distinctive …

Controlling the local electronic properties of Si (553)-Au through hydrogen do**

C Hogan, E Speiser, S Chandola, S Suchkova… - Physical Review Letters, 2018 - APS
We propose a quantitative and reversible method for tuning the charge localization of Au-
stabilized stepped Si surfaces by site-specific hydrogenation. This is demonstrated for Si …

Reflectance anisotropy spectroscopy of the surface

CH Patterson, S Banerjee, JF McGilp - Physical Review B, 2016 - APS
Hybrid DFT calculations of atomic structure, electronic band structure, and reflectance
anisotropy (RA) are used to correlate atomic and electronic structures and optical transitions …

Adsorbate‐Induced Modifications in the Optical Response of the Si (553)–Au Surface

S Chandola, S Sanna, C Hogan… - physica status solidi …, 2022 - Wiley Online Library
The conductivity of substrate‐supported metallic nanowires can be adjusted, eg, by strain or
adsorbates. In this article, the effect of atomic hydrogen and toluene‐3, 4‐dithiol (TDT) …

Ab initio theory of interband transitions

C Hogan, M Palummo, O Pulci, CM Bertoni - Springer Handbook of …, 2020 - Springer
This chapter reviews the principles behind the theory and computation of interband
transitions at surfaces. Particular emphasis is given to state-of-the-art ab-initio …

Organic Molecule Adsorption on Stepped Si–Au Surfaces: Role of Functional Group on Geometry and Electronic Structure

C Hogan, S Suchkova, F Bechstedt… - … status solidi (b), 2019 - Wiley Online Library
Stepped gold‐stabilized Si (111) surfaces offer much potential for self‐organized assembly
of one‐and two‐dimensional nanostructured arrays of organic molecules due to the …

[CARTE][B] Atomic structure and electronic properties of Tb silicide nanowires

S Appelfeller - 2018 - search.proquest.com
Metallic nanowires grown by self-organisation on Si surfaces may be interesting for future
applications in Si based nanotechnology, but they will also show unique physical …

Step-edge guided growth of nanowires on three-fold symmetric vicinal Si (111) surfaces

D Das, T Choudhury - Bulletin of Materials Science, 2020 - Springer
Clean vicinal surfaces exhibit a stepped pattern due to the presence of narrow terraces
formed on a clean surface. Therefore, this provides a platform for the aligned growth of …