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Structural, electronic properties and stability of the (1 × 1) PbTiO3 (1 1 1) polar surfaces by first-principles calculations

✍ Scribed by Qing Pang; Jian-Min Zhang; Ke-Wei Xu; Vincent Ji

No coin nor oath required. For personal study only.

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Structural, electronic properties and stability of the (1&#xa0;×&#xa0;1) PbTiO3 (1&#xa0;1&#xa0;1) polar surfaces by first-principles calculations