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• W2279677382 startingPage "06LT01" @default.
• W2279677382 abstract "In virtually all semiconductors and insulators, hydrogen interstitials () act as negative-U centers, implying that hydrogen is never stable in the neutral charge state. Using hybrid density functional calculations, we find a different behavior for in diamond and cubic BN. In diamond, is a very strong positive-U center, and the charge state is stable over a Fermi-level range of more than 2 eV. In cubic BN, a III–V compound similar to diamond, we also find positive-U behavior, though over a much smaller Fermi-level range. These results highlight the unique behavior of in these covalent wide-band-gap semiconductors." @default.
• W2279677382 created "2016-06-24" @default.
• W2279677382 creator A5001841064 @default.
• W2279677382 creator A5006124831 @default.
• W2279677382 date "2016-01-21" @default.
• W2279677382 modified "2023-10-07" @default.
• W2279677382 title "Surprising stability of neutral interstitial hydrogen in diamond and cubic BN" @default.
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• W2279677382 doi "https://doi.org/10.1088/0953-8984/28/6/06lt01" @default.
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