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• W2066420888 startingPage "R1722" @default.
• W2066420888 abstract "The rotation-relaxation model with large layer-rotation angles of about 30ifmmode^circelsetextdegreefi{} is well accepted for the (110) cleavage surfaces of ordinary III-V compounds. We examine this model for the group-III nitrides BN, AlN, GaN, and InN with larger covalency and polarity of the bonds. Well converged ab initio calculations using a plane-wave pseudopotential method suggest a tendency for a bond-contraction relaxation where the buckling and the zigzag character of the III-N chains parallel to $[11ifmmodebarelsetextasciimacronfi{}0]$ are reduced. The resulting geometries, energetics, and electronic structures are analyzed in terms of bond strength and bond ionicity." @default.
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• W2066420888 date "1998-07-15" @default.
• W2066420888 modified "2023-10-16" @default.
• W2066420888 title "Bond-rotation versus bond-contraction relaxation of (110) surfaces of group-III nitrides" @default.
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• W2066420888 doi "https://doi.org/10.1103/physrevb.58.r1722" @default.
• W2066420888 hasPublicationYear "1998" @default.
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