Journal article
Generalized boundary conditions in a thermodynamic model of ferroic materials
Physical Review B, v 113(17), 174110
24 Mar 2026
Abstract
Accurate characterization of thermodynamic phases and domain structures is crucial for the engineering of polar-textured thin-film electronic devices. In an improvement to the phase prediction, a Landau-Ginzburg-Devonshire thermodynamic model of ferroic materials is extended to generalized elastic and electromagnetic boundary conditions. The proposed mathematical framework allows for the implementation of a modular computational model which can analyze composite systems with solid solutions, multiple material layers, and domain structures. The model is applied to epitaxially-constrained solid solutions of barium and strontium titanates with the results illustrating the similarity in the evolution of the single-domain and polydomain ferroelectric phases across a wide range of material compositions. In the applications where barium titanate is placed near a phase boundary, a further refinement in the characterization of the boundary can be achieved with the inclusion of the inequality of domain sizes and of the tilting of the domain wall within the computational model.
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Details
- Title
- Generalized boundary conditions in a thermodynamic model of ferroic materials
- Creators
- Sergey Nisnevich - Drexel University, PhysicsJonathan E Spanier - Drexel University, Physics
- Publication Details
- Physical Review B, v 113(17), 174110
- Publisher
- APS
- Number of pages
- 11
- Grants
- Grant note
- U.S. Army Research Office: W911NF-21-1-0126 Army Research Laboratory: W911NF-24-2-0100
The authors acknowledge the U.S. Army Research Office under Grant No. W911NF-21-1-0126 for support of this work. J.E.S. acknowledges that this research was also sponsored by the Army Research Laboratory and was accomplished under Cooperative Agreement No. W911NF-24-2-0100. The authors thank Prof. Ilya Grinberg for valuable discussions that aided in the development of this work. The views and conclusions contained in this document are those of the authors and should not be interpreted as repre-senting the official policies, either expressed or implied, of the Army Research Laboratory or the U.S. Government. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright no-tation herein.
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Physics
- Web of Science ID
- WOS:001773291600001
- Other Identifier
- 991022154172604721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Materials Science, Multidisciplinary
- Physics, Applied
- Physics, Condensed Matter