Light metals on oxygen-terminated diamond (100): Structure and electronic properties
Access Status
Authors
Date
2015Type
Metadata
Show full item recordCitation
Source Title
ISSN
School
Collection
Abstract
Recently a lithiated C(100)-(1 × 1):O surface has been demonstrated to possess a true negative electron affinity: that is, the conduction band minimum at the surface is lower in energy than the local vacuum level. Here we present a density functional theory study of diamond surfaces with various alkali-metal- and alkaline-earth-oxide terminations. We find a size-dependent variation of electronic surface properties that divides the adsorbates into two groups. In both cases, ether bridges are broken. Adsorption of the smaller alkali metals/alkaline earths such as lithium and magnesium leads to a significant surface dipole resulting from transfer of charge across X-O-C complexes, whereas at the other extreme, cesium- and potassium-adsorbed C(100)-(1 × 1):O surfaces exhibit conventional dipole formation between the ionic adsorbate and a negatively charged carbonyl-like surface. Sodium is intermediate. Computed surface band structures and density of states are presented, illustrating the key electronic differences between these two groups.
Related items
Showing items related by title, author, creator and subject.
-
Li, Tiexin; Peiris, Chandramalika ; Aragonès, A.C.; Hurtado, Carlos; Kicic, Anthony ; Ciampi, Simone ; MacGregor, M.; Darwish, T.; Darwish, Nadim (2023)In recent years, the hybrid silicon-molecular electronics technology has been gaining significant attention for applications in sensors, photovoltaics, power generation, and molecular electronics devices. However, Si-H ...
-
Van Riessen, Arie; Schumann, O.; Birke, M.; Winkler, C.; Kirschner, J. (2009)Electron pairs simultaneously emitted from a solid surface upon excitation with photons (double photoemission or (?, 2e)) or electrons (e,2e) provide information about the electron correlation in the solid which is mediated ...
-
Skomurski, F.; Ewing, R.; Rohl, Andrew; Gale, Julian; Becker, U. (2006)To evaluate the stability, potential reactivity, and relaxation mechanisms on different uraninite surfaces, surface energy values were calculated and structural relaxation was determined for the (111), (110), and (100) ...