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Initial growth of Ba on Ge(001): An STM and DFT study

Koczorowski, W; Puchalska, A; Grzela, T; Radny, MW; Jurczyszyn, L; Schofield, SR; Czajka, R; (2015) Initial growth of Ba on Ge(001): An STM and DFT study. Physical Review B , 91 (23) , Article 235319. 10.1103/PhysRevB.91.235319. Green open access

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Abstract

An ordered alkaline-earth submonolayer on a clean Si(001) surface provides a template for growth of the atomically sharp, crystalline Si-oxide interface that is ubiquitous in the semiconductor device industry. It has been suggested that submonolayers of Sr or Ba on Ge(001) could play a similar role as on structurally identical Si(001), overcoming known limitations of the Ge(001) substrate such as amorphization of its oxidation layers. In this paper the initial stage of the Ba oxidation process, i.e., adsorption and organization of Ba atoms on the Ge(001) surface as a function of temperature (270−770 K) for coverage 1.0 monolayer (ML) and 0.15−0.4 ML, is studied using scanning tunneling microscopy (STM) and density functional theory (DFT). Three types of features have been identified on the Ba-covered Ge(001) surface. They originate from isolated Ba adatoms, isolated Ba ad-dimers, and the Ba ad-dimers assembled into short-range, randomly distributed chains that run across the Ge dimer rows. We find from both STM measurements and DFT calculations that the latter is the dominant structure on Ge(001) with increasing coverage.

Type: Article
Title: Initial growth of Ba on Ge(001): An STM and DFT study
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevB.91.235319
Publisher version: http://dx.doi.org/10.1103/PhysRevB.91.235319
Language: English
Additional information: © 2015 American Physical Society.
Keywords: Science & Technology, Physical Sciences, Physics, Condensed Matter, Physics, SCANNING-TUNNELING-MICROSCOPY, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, CRYSTALLINE OXIDES, ROOM-TEMPERATURE, SILICON, SURFACE, ADSORPTION, PHASE, INTERFACE
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/1496997
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