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  • Institute of Solid State Physics, University of Latvia
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  • Ab initio calculations of ABO3 perovskite surfaces and defects
  • Project effectiveness showings

Project effectiveness showings

1. R. I. Eglitis, Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, PbZrO3 un BaZrO3 (001), (011) and (111) surfaces as well as F centers, polarons, KTN solid solutions and Nb impurities therein, International Journal of Modern Physics B 28, 1430009 (2014) .

2. Roberts I. Eglitis, Theoretical prediction of the 5 V rechargeable Li ion battery using Li2CoMn3O8 as a cathode, Phys. Scr. 90, 094012 (2015) .

3. Sergei Piskunov and Roberts I. Eglitis, First principles hybrid DFT calculations of BaTiO3/SrTiO3 (001) interface, Solid State Ionics 274, 29-33 (2015) .

4. Roberts I. Eglitis, Ab initio hybrid DFT calculations of BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces, Applied Surface Science, 2015, accepted .

5. Sergei Piskunov and Roberts I. Eglitis, Comparative ab initio calculations of SrTiO3/BaTiO3 and  SrZrO3/PbZrO3 (001) heterostructures, Nuclear Instruments and Methods in Physics Research B, 2015, accepted .

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