Electron- or hole-assisted reactions of H defects in hydrogen-bonded KDP

We present an ab initio study of the stability and defect reactions of neutral and charged H interstitial (H(i)) and H vacancy (H(v)) in KH2PO4 (KDP). We find that while there is no interaction between the neutral H(i) and the host, the addition of an electron leads to the ejection of a H host atom...

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Veröffentlicht in:	Physical review letters 2003-07, Vol.91 (1), p.015505-015505, Article 015505
Hauptverfasser:	Liu, C S, Kioussis, Nicholas, Demos, S G, Radousky, H B
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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