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Enhancing shift current response via virtual multiband transitions.

Sihan Chen1,2, Swati Chaudhary3,4,5, Gil Refael2,6

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Summary
This summary is machine-generated.

Researchers propose a new design principle for enhanced shift current response in materials, utilizing inter-orbital mixing in flat bands. This method, demonstrated in twisted multilayer graphene, promises improved solar cell performance.

Keywords:
Electronic properties and materialsNanophotonics and plasmonicsOptical properties and devices

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Mechanics

Background:

  • Shift current response is crucial for advanced solar cell materials but challenging to optimize.
  • Current design principles for shift-current materials are limited by complex factors.

Purpose of the Study:

  • To propose a general design principle for enhancing shift current response.
  • To relate this principle to quantum geometric properties, specifically Wannier function spread.
  • To demonstrate the principle's viability in theoretical models and a concrete material system.

Main Methods:

  • Exploiting inter-orbital mixing to excite virtual multiband transitions.
  • Utilizing quantum geometry formalism to maximize Wannier function spread.
  • Applying the design principle to a 1D stacked Rice-Mele model and alternating angle twisted multilayer graphene (TMG).

Main Results:

  • A design principle based on inter-orbital mixing and flat bands is proposed for enhanced shift current.
  • The principle is linked to maximizing Wannier function spread via quantum geometry.
  • Viability demonstrated in a Rice-Mele model; TMG identified as a promising material with maximized response at specific twist angles for terahertz frequencies.

Conclusions:

  • The proposed mechanism offers a pathway to design materials with superior shift current response.
  • Twisted multilayer graphene is highlighted as a practical platform for realizing enhanced shift currents.
  • The design principle is applicable to various 2D systems and multiband materials.