most citedPoint defect energetics in silicon using the LDA+U method

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cond-mat.mtrl-sci2003★ 1 cited

Point defect energetics in silicon using the LDA+U method

Panchapakesan Ramanarayanan, Renat F. Sabirianov, Kyeongjae Cho

We present the first principles results of point defect energetics in silicon calculated using the LDA+U method: a Hubbard type on-site interaction added to the local density appro…