期刊
PHYSICAL REVIEW B
卷 84, 期 11, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.115318
关键词
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资金
- National Research Foundation of Korea
- Ministry of Education, Science, and Technology [2009-0082489]
- National Research Foundation of Korea [2009-0082489] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
Reconstructed structures of the GaN and ZnO(10 (1) over bar1) anion semipolar surfaces were studied using density functional theory calculations. The twofold-coordinated anion atoms on the unreconstructed surfaces form anion dimers with reduced surface hole density. The residual holes on the dimerized surfaces are additionally compensated by formation of a dimer vacancy (DV) in every four 2 x 1 cells on GaN(10 (1) over bar1) and in two 2 x 1 cells on ZnO(10 (1) over bar1). The electrostatically stable 4 x 2 DV reconstruction on the GaN(10 (1) over bar1) surface is found to be more stable than the previously suggested structures, and the 2 x 2 DV reconstruction on the ZnO(10 (1) over bar1) surface explains the transmission electron microscopy observations.
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