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<p>The synergistic effects of the oxygen vacancies and Sr doping on the lattice dynamics of perovskite Ba<sub>1−<i>x</i></sub>Sr<sub><i>x</i></sub>SnO<sub>3−<i>δ</i></sub> (<i>x</i> = 0, 0.03, 0.06, 0.10) are systematically investigated through neutron powder diffraction, Raman scattering, specific heat capacity, and thermal conductivity measurements, combined with thermal-transport theoretical calculations. The introduction of the defects induces local distortions and unique vibrational behaviors, and has been observed by different measurements. The existence of the oxygen vacancies activates several Raman spectra that are otherwise not active in vacancy-free BaSnO<sub>3</sub>, and the Sr doping further introduces more Raman excitations. On heat capacity, the defect-induced optical phonons enhance the intensity of the Boson peak and move the peak value to a lower temperature region. Furthermore, the defects not only significantly reduce the lattice thermal conductivities (<i>κ</i><sub>L</sub>) by lowering the sound velocity and strengthening the lattice anharmonicity, but also cause the temperature-independent <i>κ</i><sub>L</sub> due to the large contribution of the coherent thermal conductivity. This work establishes a structure-dynamics-transport relationship in the defect-engineered perovskite oxides and paves the path to achieve intrinsically low thermal conductivity in other materials.</p>

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Lighter Sr doping engineering the lattice anharmonicity in Ba1−xSrxSnO3−δ

  • 期刊论文

  • 发表日期：

    2026年7月27日

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  • Binru Zhao,
  • Shengnan Dai,
  • Mingfang Shu,
  • Ranran Zhang,
  • Qing Huang,
  • Wei Xu,
  • Jiangtao Wu,
  • Jinlong Jiao,
  • Masato Hagihala,
  • Shuki Torii,
  • Guohua Wang,
  • Qingyong Ren,
  • Zhe Qu,
  • Haidong Zhou,
  • Jiong Yang,
  • Jie Ma

摘要

The synergistic effects of the oxygen vacancies and Sr doping on the lattice dynamics of perovskite Ba1−xSrxSnO3−δ (x = 0, 0.03, 0.06, 0.10) are systematically investigated through neutron powder diffraction, Raman scattering, specific heat capacity, and thermal conductivity measurements, combined with thermal-transport theoretical calculations. The introduction of the defects induces local distortions and unique vibrational behaviors, and has been observed by different measurements. The existence of the oxygen vacancies activates several Raman spectra that are otherwise not active in vacancy-free BaSnO3, and the Sr doping further introduces more Raman excitations. On heat capacity, the defect-induced optical phonons enhance the intensity of the Boson peak and move the peak value to a lower temperature region. Furthermore, the defects not only significantly reduce the lattice thermal conductivities (κL) by lowering the sound velocity and strengthening the lattice anharmonicity, but also cause the temperature-independent κL due to the large contribution of the coherent thermal conductivity. This work establishes a structure-dynamics-transport relationship in the defect-engineered perovskite oxides and paves the path to achieve intrinsically low thermal conductivity in other materials.