caa a22 4500 46317318X CHVBK 20180406164819.0 cr unu---uuuuu 170326e20071101xx s 000 0 eng 10.1007/s10717-007-0108-2 doi (NATIONALLICENCE)springer-10.1007/s10717-007-0108-2 Estimate of the solubility of titanium in beryllium oxide based on quantum-chemical calculations [Elektronische Daten] [Yu. Makurin, M. Gorbunova, V. Kiiko, I. Shein, A. Ivanovskii] The maximum solubility of titanium in BeO is estimated on the basis of calculations of the formation enthalpy of beryllium oxide, doped with titanium, performed using quantum-chemical calculations within the framework of the DFT theory. Amethod for estimating numerically the maximum solubility of impurities in crystals is examined for beryllium oxide doped with titanium. The method is based on using the results of nonempirical quantum-chemical calculations. The method can be used to estimate the maximum solubility of diverse impurities in inorganic compounds and ceramic materials based on these compounds. Springer Science+Business Media, Inc., 2007 Makurin Yu Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut Gorbunova M. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut Kiiko V. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut Shein I. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut Ivanovskii A. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut Glass and Ceramics Springer US 64/11-12(2007-11-01), 439-441 0361-7610 64:11-12<439 2007 64 10717 https://doi.org/10.1007/s10717-007-0108-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10717-007-0108-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Makurin Yu Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut NATIONALLICENCE 700 1- Gorbunova M. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut NATIONALLICENCE 700 1- Kiiko V. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut NATIONALLICENCE 700 1- Shein I. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut NATIONALLICENCE 700 1- Ivanovskii A. Ural State Technical University-Ural Polytechnical Institute, Ekaterinburg, Russia aut NATIONALLICENCE 773 0- Glass and Ceramics Springer US 64/11-12(2007-11-01), 439-441 0361-7610 64:11-12<439 2007 64 10717 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer