Reactions of Hydrogen-Passivated Silicon Vacancies in <i>α</i>-Quartz with Electron Holes and Hydrogen

Reactions of Hydrogen-Passivated Silicon Vacancies in <i>α</i>-Quartz with Electron Holes and Hydrogen

We used density functional theory with a hybrid functional to investigate the structure and properties of [4H]<i><sub>Si</sub></i> (hydrogarnet) defects in <i>α</i>-quartz as well as the reactions of these defects with electron holes and extra hydrogen atoms and i...

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Bibliographic Details
Main Authors: Teofilo Cobos Freire, Jack Strand, Alexander L. Shluger
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Nanomaterials
Subjects:
density functional theory
<i>α</i>-quartz
Si vacancies
reactions with hydrogen
charge trapping
device reliability
Online Access:https://www.mdpi.com/2079-4991/15/2/142
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