Publikationsdatum:
2018-01-27
Beschreibung:
Author(s): Peng Chen, Mathieu N. Grisolia, Hong Jian Zhao, Otto E. González-Vázquez, L. Bellaiche, Manuel Bibes, Bang-Gui Liu, and Jorge Íñiguez From superconductivity to magnetoelectricity, perovskite oxides exhibit a wealth of appealing physical properties, often controlled by subtle structural details. Especially critical are the ‘tilt’ distortion modes involving rotations of the oxygen octahedra that constitute the backbone of the perovskite lattice, which motivates today’s interest in better understanding and tuning such tilts. Here, the authors present a thorough first-principles investigation of the energy landscape relevant to this matter, revealing the main competitors among different tilt modes as well as their trends across the perovskite family. [Phys. Rev. B 97, 024113] Published Fri Jan 26, 2018
Schlagwort(e):
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Digitale ISSN:
1095-3795
Thema:
Physik
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