<p>We have investigated the temperature dependence of the crystal structure of quasi-one-dimensional monoclinic <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="40042_2025_1353_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="52" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {BaIrO}_3\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mtext>BaIrO</mtext> <mn>3</mn> </msub> </math></EquationSource> </InlineEquation> using X-ray diffraction. Diffraction patterns were measured across a temperature range from 13 to 300 K, with 5-degree steps, and Rietveld refinements were performed to extract the relevant lattice parameters. The resulting cell volumes exhibit a significant deviation from the Debye model predictions for lattice-specific heat within a reasonable range of the Debye temperature, Grüneisen parameter, and bulk modulus. This suggests an invar-like, unconventional thermal expansion behavior. The deviation begins near the weak ferromagnetic transition temperature, indicating a strong correlation with changes in the electronic and magnetic structure of monoclinic <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="40042_2025_1353_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="52" /> </InlineMediaObject> <EquationSource Format="TEX">\(\hbox {BaIrO}_3\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mtext>BaIrO</mtext> <mn>3</mn> </msub> </math></EquationSource> </InlineEquation>.</p>

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Unconventional thermal expansion in quasi-one-dimensional monoclinic \(\hbox {BaIrO}_3\)

  • Jinwon Jeong,
  • Bin Chang,
  • Han-Jin Noh,
  • Seongsu Lee

摘要

We have investigated the temperature dependence of the crystal structure of quasi-one-dimensional monoclinic \(\hbox {BaIrO}_3\) BaIrO 3 using X-ray diffraction. Diffraction patterns were measured across a temperature range from 13 to 300 K, with 5-degree steps, and Rietveld refinements were performed to extract the relevant lattice parameters. The resulting cell volumes exhibit a significant deviation from the Debye model predictions for lattice-specific heat within a reasonable range of the Debye temperature, Grüneisen parameter, and bulk modulus. This suggests an invar-like, unconventional thermal expansion behavior. The deviation begins near the weak ferromagnetic transition temperature, indicating a strong correlation with changes in the electronic and magnetic structure of monoclinic \(\hbox {BaIrO}_3\) BaIrO 3 .