| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385416 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
⺠A generalized structure-decoration scheme was proposed based on current literatures on sp2 hybridized boron and applied to decoration of the sp3 backbone frameworks for prediction of new 3-dimensional boron crystals. ⺠The predicted boron crystals are metallic and have a much lower energy of formation than the known high-pressure boron phases. ⺠This study provides an explanation for the nonmetal-metal transition and the anomalous superconductivity of boron under high pressure. ⺠A mechanism that relaxes the intrinsic frustration of three-center bonding plays a unified role in both boron sheet and the predicted diamond-like boron.
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Authors
Yufeng Zhao, Qiang Xu, Lin J. Simpson, Anne C. Dillon,