Defect and strain engineering for modulating structure and magnetism in perovskites
Jiahui Jia, Laboratory of Multifunctional Oxides and Complex Structures (MULFOX) at ICMAB-CSIC
Date: Tuesday, 14 November 2023
Time: 11:00 AM
Venue: Institut de Ciència de Materials de Barcelona (ICMAB, CSIC) - Sala d'Actes Carles Miravitlles and ONLINE. Register here to attend by Zoom.
Abstract:
The purpose of this thesis is to investigate ways to manipulate the structural realizations of materials with external fields, allowing for dynamic tuning of their properties. We focus on altering lattice distortions, particularly octahedral rotations, to modify their characteristics. We pay particular attention to magnetism, including antiferromagnetic order and spin canting. Using DFT, we discover various techniques for manipulating lattice distortions and establish a comprehensive connection between these distortions and the ensuing magnetism. These findings provide a route for designing structures with adjustable magnetic properties, which can contribute to the development of sophisticated materials with tailored functionalities. The Thesis focus on these strategies: dynamic tuning octahedral rotation in perovskites; general rules of spin canting modulation by lattice structure and antiferromagnetic order; and modulation of octahedral rotations and spin canting using defects and strain.
Supervisor:
- Gervasi Herranz, MULFOX, ICMAB-CSIC
- Miguel Pruneda, Nanomaterials and Nanotechnology Research Center (CINN-CSIC)
- Javier Junquera, Universidad de Cantabria, Spain
- Massimiliano Stengel, ICMAB-CSIC, Spain
- Claude Ederer, ETH Zürich, Switzerland
University: Universitat Autònoma de Barcelona (UAB)
PhD Programme: Physics
Schematic representation of proposed mechanisms to control octahedral tilts in ABO3 perovskites. Small red circles represent the anions at the corners of the octahedra with the B cation in the center (blue circle) | Jiahui Jia, ICMAB, CSIC