| Issue Date | Title | Author(s) |
| 2007 | Ab initio calculations of H2O and O-2 adsorption on Al2O3 substrates | Fernandez, E. M.; Eglitis, R. I.; Borstel, G.; Balbas, L. C. |
| 2006 | Ab initio calculations of the BaF2 bulk and surface F centres | Shi, H.; Eglitis, R. I.; Borstel, G. |
| 2006 | Ab initio calculations of the BaTiO3 (100) and (110) surfaces | Eglitis, R. I.; Borstel, G.; Heifets, E.; Piskunov, S.; Kotomin, E. |
| 2007 | Ab initio calculations of the hydrogen centres in CaF2 and BaF2 | Shi, H.; Eglitis, R. I.; Borstel, G. |
| 2007 | Ab initio calculations of the oxygen-vacancy dipoles and M centers in CaF(2) | Shi, H.; Eglitis, R. I.; Borstel, G. |
| 2010 | First-Principles Calculations for the H Center in SrF2 Crystals | Yue, L.; Jia, R.; Shi, H.; He, X.; Eglitis, R. I. |
| 2010 | First-principles calculations of the atomic and electronic structure of SrZrO3 and PbZrO3 (001) and (011) surfaces | Eglitis, R. I.; Rohlfing, M. |
| 2006 | First-principles calculations of the CaF2(111), (110), and (100) surface electronic and band structure | Eglitis, R. I.; Shi, H.; Borstel, G. |
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