Neutron Structural analysis of La<sub>1-<i>x</i></sub>Sr<sub><i>x</i></sub>MnO<sub>3</sub>–Variation of One-Electron Bandwidth<i>W</i>with Hole Doping–

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  • Neutron Structural analysis of La1-xSrxMnO3. Variation of One-Electron Bandwidth W with Hole Doping.

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We have performed neutron powder diffraction measurements for La1−xSrxMnO3 (x=0.00–0.20) at room temperature. We have found that the crystal structure is orthorhombic (Pbnm, Z=4; O) at x≤0.14 and rhombohedral (R\\bar3c, Z=2; R) at x≥0.18, respectively. At this structural phase transition, the averaged Mn–O–Mn bond angle ⟨θ⟩ discontinuously increases from 160.8° at x=0.14 to 163.5° at x=0.18. We have estimated relative variation of the one-electron bandwidth W of the eg-band, and discussed the insulator-metal behavior induced by hole doping.

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