Annual Report 2012 - Latvijas Universitātes Cietvielu fizikas institūts

15. S. Piskunov and E. Spohr, "SrTiO 3 nanotubes with negative strain energy predced
from first principles". Abstracts: p. 22.
16. O. Lisovski, S. Piskunov, Yu.F. Zhukovskii, and J. Ozolins, "Quantum chemical
simulations of doped TiO 2 nanotbes for photocatalyic hydrogen generation". Abstracts:
p. 23
17. Yu.N. Shunin, V.I Gopeyenko, P.N Dyachkov, N. Burlutskaya, Yu.F. Zhukovskii,
and S. Bellucci, "Simulation of CNT conductivity for various nanotube chiralities".
Abstracts: p. 24.
V. 8 th International Conference "Functional Materials and Nanotechnologies"
FM&NT-2012 (Riga, Latvia, April, 2012).
18. R.I. Eglitis, H. Shi, R. Jia, L. Yue, and X. He, Ab initio calculations for the H centers
in SrF 2 as well as surface H centers in BaF 2 and F centers aggregation in BaF 2 and CaF 2 .
– Abstract: p. 63.
19. D. Gryaznov, R.A. Evarestov, E. Blokhin, E.A. Kotomin, and J. Maier, Ab initio
thermodynamic calculations of oxygen vacancies in perovskites: the case study of
(La,Sr)(Co,Fe)O 3- δ and SrTiO 3- δ – Abstract: p. 67.
20. J.R. Kalnin and E.A. Kotomin, One-dimensional diffusion in heterogeneous
medium. – Abstract: p. 68.
21. E.A. Kotomin, Yu.A. Mastrikov, J. Maier, M.M. Kuklja, A. Weizman, and D. Fuks,
First principles calculations of structural stability for complex perovskites. – Abstract: p.
71.
22. Yu.A. Mastrikov, D. Gryaznov, E.A. Kotomin, R. Merkle, M.M. Kuklja, and J.
Maier, First principles study of oxygen vacancies in perovskite solid solutions. –
Abstract: p. 81.
23. Yu.N. Shunin, Yu.F. Zhukovskii, V.I. Gopeyenko, N. Burlutskaya, and S. Bellucci,
Electromagnetic properties of CNT and graphene-based nanostructures. – Abstract: p.
90.
24. R.A. Evarestov and Yu.F. Zhukovskii, First principles calculations on properties of
the rutile-based TiO 2 nanowires with Ti-atom centered symmetry axes. – Abstract: p. 98.
25. G. Zvejnieks, V.N. Kuzovkov, E.A. Kotomin, and M.O. de la Cruz, Microscopic
approach to the kinetics of pattern formation of charged molecules on surfaces. –
Abstract: p. 99.
26. E. Blokhin, D. Gryaznov, R.A. Evarestov, and J. Maier, A new approach to the
engineering of ab initio materials simulations on an example of CRYSTAL, VASP and
WIEN2k packages. – Abstract: p. 115.
27. E. Blokhin, A. Kuzmin, J. Purans, E.A. Kotomin, R.A. Evarestov, and J. Maier, Joint
theoretical-experimental study of iron impurities and oxygen vacancies in SrTiO 3 . –
Abstract: p. 116.
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