| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1566435 | Journal of Nuclear Materials | 2012 | 8 Pages |
Abstract
⺠We calculate crystalline and electronical structures of two lithium silicates, Li2SiO3 and Li4SiO4. ⺠We examine changes in the binding energy, band gap, electronic density mapping of two lithium silicates. ⺠The Si 3s and 3p orbital will hybridize strongly in Li2SiO3, but not in Li4SiO4. ⺠For the first time calculated the mechanical properties of these two lithium silicates.
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Authors
Tao Tang, Piheng Chen, Wenhua Luo, Deli Luo, Yu Wang,