Abstract

We present qualitative theoretical evidence that interstitial bond-centered hydrogen or muonium in diamond is stable as a result of unusually large lattice relaxation. The two geometrical configurations of neutral interstitial muonium explain the structures and properties of anomalous muonium (bond centered) and normal muonium (tetrahedral interstitial site), including the thermal conversion of normal to anomalous muonium and represent a well-defined example of interstitial metastability.

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