Theory of electron–phonon–dislon interacting system—toward a quantized theory of dislocations
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Li_2018_New_J._Phys._20_023010.pdf
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Author(s)
Meng, Qingping
Zhu, Yimei
Li, Mingda
Tsurimaki, Yoichiro
Andrejevic, Nina
Mahan, Gerald Dennis
Chen, Gang
Date Issued
February 2018
Journal
New Journal of Physics
Publisher
IOP Publishing
Citation
Li, Mingda, Yoichiro Tsurimaki, Qingping Meng, Nina Andrejevic, Yimei Zhu, Gerald D Mahan, and Gang Chen. “Theory of Electron–phonon–dislon Interacting System—toward a Quantized Theory of Dislocations.” New Journal of Physics 20, no. 2 (February 5, 2018): 023010.
Version
Final published version
Abstract
We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a 'dislon'. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron–dislocation and phonon–dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories are derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron–phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation's long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials' functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
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DOI of Published Version
https://doi.org/10.1088/1367-2630/AAA383
