Publication Date:
2018-01-31
Description:
Author(s): Hao Tian, Xiao-Yu Kuang, Ai-Jie Mao, Yurong Yang, Changsong Xu, S. Omid Sayedaghaee, and L. Bellaiche High-melting-point oxides of chemical formula A B O 3 with A = Ca , Sr, Ba and B = Zr , Hf are investigated as a function of hydrostatic pressure up to 200 GPa by combining first-principles calculations with a particle swarm optimization method. Ca- and Sr-based systems: (1) first undergo a reconstructive ph... [Phys. Rev. B 97, 020103(R)] Published Tue Jan 30, 2018
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
Permalink