Generalized Wilson loop method for nonlinear light-matter interaction

被引:0
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作者
Hua Wang
Xiuyu Tang
Haowei Xu
Ju Li
Xiaofeng Qian
机构
[1] Texas A&M University,Department of Materials Science and Engineering
[2] Zhejiang University,Future Science Research Institute, ZJU
[3] Massachusetts Institute of Technology,Hangzhou Global Scientific and Technological Innovation Center
[4] Massachusetts Institute of Technology,Department of Nuclear Science and Engineering
[5] Texas A&M University,Department of Materials Science and Engineering
来源
npj Quantum Materials | / 7卷
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摘要
Nonlinear light–matter interaction, as the core of ultrafast optics, bulk photovoltaics, nonlinear optical sensing and imaging, and efficient generation of entangled photons, has been traditionally studied by first-principles theoretical methods with the sum-over-states approach. However, this indirect method often suffers from the divergence at band degeneracy and optical zeros as well as convergence issues and high computation costs when summing over the states. Here, using shift vector and shift current conductivity tensor as an example, we present a gauge-invariant generalized approach for efficient and direct calculations of nonlinear optical responses by representing interband Berry curvature, quantum metric, and shift vector in a generalized Wilson loop. This generalized Wilson loop method avoids the above cumbersome challenges and allows for easy implementation and efficient calculations. More importantly, the Wilson loop representation provides a succinct geometric interpretation of nonlinear optical processes and responses based on quantum geometric tensors and quantum geometric potentials and can be readily applied to studying other excited-state responses.
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