Hydrogen-induced rupture of strained Si─O bonds in amorphous silicon dioxide

El-Sayed, Al-Moatasem, Watkins, Matthew B., Grasser, Tibor , Afanas’ev, Valery V. and Shluger, Alexander L. (2015) Hydrogen-induced rupture of strained Si─O bonds in amorphous silicon dioxide. Physical Review Letters, 114 (11). p. 115503. ISSN 0031-9007

Full content URL: https://doi.org/10.1103/PhysRevLett.114.115503

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Item Type:Article
Item Status:Live Archive


Using ab initio modeling we demonstrate that H atoms can break strained Si─O bonds in continuous amorphous silicon dioxide (a−SiO2) networks, resulting in a new defect consisting of a threefold-coordinated Si atom with an unpaired electron facing a hydroxyl group, adding to the density of dangling bond defects, such as E′ centers. The energy barriers to form this defect from interstitial H atoms range between 0.5 and 1.3 eV. This discovery of unexpected reactivity of atomic hydrogen may have significant implications for our understanding of processes in silica glass and nanoscaled silica, e.g., in porous low-permittivity insulators, and strained variants of a−SiO2.

Keywords:microelectronics, NotOAChecked
Subjects:F Physical Sciences > F200 Materials Science
F Physical Sciences > F110 Applied Chemistry
F Physical Sciences > F321 Solid state Physics
Divisions:College of Science > School of Mathematics and Physics
ID Code:18984
Deposited On:06 Nov 2015 16:22

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