کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1594956 | 1515701 | 2008 | 5 صفحه PDF | دانلود رایگان |
Using first-principles total energy method, we have studied the structural and electronic properties of Ga- and P-terminated GaP(001)(1×2) surfaces adsorbed with one monolayer of sulfur. It was found that the sulfur atoms prefer to occupy bridge sites and the periodicity becomes (1×1) on both Ga- and P-terminated surfaces. The S–Ga bond was confirmed to be stronger than the S–P bond. The electronic analysis showed that the surface state within the energy gap on the Ga-terminated GaP surface was noticeably reduced by the sulfur adsorption, while such reduction does not occur on the P-terminated surface due to the S–P antibonding state. The nearly filled S dangling bonds on the Ga-terminated surface make this surface resistant to contamination.
Journal: Solid State Communications - Volume 147, Issues 3–4, July 2008, Pages 141–145