caa a22 4500 467926867 CHVBK 20180406152932.0 cr unu---uuuuu 170328e20061001xx s 000 0 eng 10.1134/S0020168506100207 doi (NATIONALLICENCE)springer-10.1134/S0020168506100207 Effect of heat treatment on the electronic spectrum and mechanical properties of BeO ceramics [Elektronische Daten] [M. Gorbunova, V. Kiiko, A. Sofronov, Yu. Makurin, A. Ivanovskii] The full-potential linear muffin-tin orbital method with a generalized gradient approximation, in conjunction with experimental structural data obtained for BeO ceramics during heating-cooling cycles, was used to analyze the effect of heat treatment on the electronic structure of BeO and to evaluate the thermal expansion coefficients and bulk modulus of BeO ceramics. According to the calculation results, BeO remains a widegap semiconductor in the range 80-300 K, and its band gap varies by no more than ∼0.02 eV. The bulk modulus of BeO ceramics (∼170 GPa) is 18-25% lower than that of single-crystal BeO. Pleiades Publishing, Inc., 2006 Gorbunova M. Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut Kiiko V. Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut Sofronov A. Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut Makurin Yu Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut Ivanovskii A. Institute of Solid-State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaiskaya ul. 91, 620219, Yekaterinburg, Russia aut Inorganic Materials Nauka/Interperiodica 42/10(2006-10-01), 1168-1170 0020-1685 42:10<1168 2006 42 10789 https://doi.org/10.1134/S0020168506100207 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1134/S0020168506100207 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Gorbunova M. Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut NATIONALLICENCE 700 1- Kiiko V. Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut NATIONALLICENCE 700 1- Sofronov A. Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut NATIONALLICENCE 700 1- Makurin Yu Ural State Technical University, ul. Mira 19, 620002, Yekaterinburg, Russia aut NATIONALLICENCE 700 1- Ivanovskii A. Institute of Solid-State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaiskaya ul. 91, 620219, Yekaterinburg, Russia aut NATIONALLICENCE 773 0- Inorganic Materials Nauka/Interperiodica 42/10(2006-10-01), 1168-1170 0020-1685 42:10<1168 2006 42 10789 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer