## Abstract

The accuracy of electron density distribution analysis using large-angle convergent-beam electron diffraction (LACBED) patterns is evaluated for different convergence angles. An orbital ordered state of FeCr2O4 is used as an example of the analysis. Ideal orbital-ordered and non-ordered states are simulated by using orbital scattering factors. LACBED patterns calculated for the orbital-ordered state were used as hypothetical experimental data sets. Electron density distribution of the Fe 3d orbitals has been successfully reconstructed with a higher accuracy from LACBED patterns with convergence angles larger than 15.2 mrad, which is 4 times as large as that for conventional convergent-beam electron diffraction patterns. Excitation of particular Bloch waves with the aid of LACBED patterns has a key role in the accurate analysis of electron density distributions.

Original language | English |
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Pages (from-to) | 178-185 |

Number of pages | 8 |

Journal | Microscopy |

Volume | 70 |

Issue number | 2 |

DOIs | |

Publication status | Published - 2021 Apr 1 |

## Keywords

- convergent-beam electron diffraction
- crystal structure factor
- electrostatic potential analysis
- large-angle rocking
- orbital scattering factor
- orbital-ordered state

## ASJC Scopus subject areas

- Structural Biology
- Instrumentation
- Radiology Nuclear Medicine and imaging