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Review
. 2025 Sep 30;7(3):101142.
doi: 10.1016/j.xinn.2025.101142. eCollection 2026 Mar 2.

Orbital-mediated local symmetry in ScAlN probed by scandium K-edge XAFS

Jianqiu Zhu  1   2 , Xiaonan Liu  1 , Jiye Yang  1 , Qian Sun  1 , Guopeng Xin  1 , Yuxuan Zhang  2 , Youle Liu  2 , Qiaozhen Zhang  1 , Feifei Wang  1 , Yanxue Tang  1 , Tao Wang  1 , Bin Miao  3 , Jiadong Li  3 , Haiwu Zhang  4 , Zhiwei Hu  5 , Linjuan Zhang  2 , Xiangyong Zhao  1
Affiliations
Review

Orbital-mediated local symmetry in ScAlN probed by scandium K-edge XAFS

Jianqiu Zhu et al. Innovation (Camb). .
No abstract available

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Conflict of interest statement

The authors declare no conflicts of interest.

Figures

Figure 1
Figure 1
XAFS reveals Sc coordination symmetry and lattice distortion in ScAlN (A) Schematic illustration of Sc element testing at the Synchrotron Radiation XAFS beamline. (B) Sc K-edge XANES experimental spectra of ScAlN/Mo/ScAlN/Si and ScAlN/Si. (C) The calculated spectrum of Sc K-edge XANES of w-ScN compared with the experimental spectrum of Sc0.25Al0.75N reported by Cohen et al. (D) The calculated spectrum of Sc K-edge XANES of h-ScN. (E) The calculated spectrum of Sc K-edge XANES of r-ScN compared with the experimental spectrum of rock-salt ScN reported by Chowdhury et al. (F) Top: calculated Sc K-edge XANES spectrum for a realistic Sc0.33Al0.67N supercell model incorporating random Sc/Al distribution, local structural relaxation, and mixed coordination environments compared with experimental data of ScAlN/Mo/ScAlN/Si; bottom: the LCF of the experimental spectrum (ScAlN/Mo/ScAlN/Si) using the calculated reference spectra of w-ScN and h-ScN. (G) Schematic representation of lattice distortion induced by Sc element doping. (H and I) Wavelet transforms for the k3-weighted EXAFS signals at the Sc K-edge of ScAlN/Mo/ScAlN/Si (H) and ScAlN/Si (I). (J) FT-EXAFS and corresponding fitting results at Sc K-edge of ScAlN/Si and ScAlN/Mo/ScAlN/Si.
See this image and copyright information in PMC

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