Publication Date:
2013-05-01
Description:
Author(s): V. Sharma, G. Pilania, G. A. Rossetti, Jr., K. Slenes, and R. Ramprasad An extensive assessment of the physicochemical factors that control the behavior of dopant-related defects in BaTiO 3 has been performed using high-throughput first-principles computations. Dopants spanning the Periodic Table—44 in total—including K-As, Rb-Sb, and Cs-Bi were considered, and have allo... [Phys. Rev. B 87, 134109] Published Tue Apr 30, 2013
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
Permalink