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Is CH3NH3PbI3 Polar?

Sharada G1, Pratibha Mahale1, Bhushan P Kore1

  • 1Solid State and Structural Chemistry Unit, Indian Institute of Science , Bengaluru-560012, India.

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|June 11, 2016
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Summary
This summary is machine-generated.

This study investigates the structure of methylammonium lead iodide (CH3NH3PbI3) perovskites. Using advanced techniques, we found strong evidence that CH3NH3PbI3 exhibits a nonpolar, centrosymmetric structure across all its phases.

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Area of Science:

  • Materials Science
  • Solid-State Physics
  • Crystallography

Background:

  • The polar/nonpolar nature of methylammonium lead iodide (CH3NH3PbI3) remains a subject of debate.
  • Understanding the structural properties of CH3NH3PbI3 is crucial for its application in optoelectronic devices.

Purpose of the Study:

  • To definitively determine the presence or absence of a center of inversion in CH3NH3PbI3.
  • To investigate the structural symmetry of CH3NH3PbI3 in its ground and excited states.

Main Methods:

  • Time-resolved pump-probe second harmonic generation (SHG) measurements.
  • Temperature-dependent single crystal X-ray diffraction.
  • Polarization-electric field (P-E) loop measurements.

Main Results:

  • Second harmonic generation (SHG) efficiency was below the detection limit, indicating a nonpolar structure.
  • X-ray diffraction and P-E loop measurements confirmed a centrosymmetric structure in cubic, tetragonal, and orthorhombic phases.
  • Bulk material properties consistently suggest a centrosymmetric, nonpolar nature for CH3NH3PbI3.

Conclusions:

  • The hybrid perovskite methylammonium lead iodide (CH3NH3PbI3) possesses a centrosymmetric, nonpolar structure.
  • This nonpolar nature is consistent across all observed temperature phases (cubic, tetragonal, orthorhombic).
  • Experimental evidence from multiple techniques supports a nonpolar structural model for bulk CH3NH3PbI3.