Bismuthates under high pressure. Ab-initio study
Andriy Smolyanyuk
14:00 - 14:40 Friday 19 January 2018 PH01150

At ambient pressure ABiO$_3$ (A=Ba,Sr,Ca) bismuthates are 3D charge density wave (CDW) insulators, exhibiting insulator to metal transition upon hole doping and supeconductivity with T$_c$'s up to 34$~$K can occur in the metallic phase. However, little is known about their high-pressure behavior.
In our work we investigate a high pressure behavior of ABiO$_3$ (Ba,Sr,Ca) bismuthates and predict the high pressure phase diagram for ABiO$_3$ compounds using novel crystal structure prediction methods.