期刊
PHYSICAL REVIEW B
卷 85, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.245302
关键词
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资金
- NNSA/DOE Office of Nonproliferation Research and Development
- National Institute for Nano-Engineering (NINE)
- US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
CdTe has been a special semiconductor for constructing the lowest-cost solar cells, and the CdTe-based Cd1-xZnxTe alloy has been the leading semiconductor for radiation detection applications. The performance currently achieved for the materials, however, is still far below theoretical expectations. This is because the property-limiting nanoscale defects that are easily formed during the growth of CdTe crystals are difficult to explore in experiments. Here, we demonstrate the capability of a bond-order potential-based molecular dynamics method for predicting the crystalline growth of CdTe films during vapor deposition simulations. Such a method may begin to enable defects generated during vapor deposition of CdTe crystals to be accurately explored.
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