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Doping-induced in-plane anisotropy of bond-stretching phonon softening in oxychlorideCa2−xCuO2Cl2compounds
Physical Review B ( IF 3.7 ) Pub Date : 2020-01-22 , DOI: 10.1103/physrevb.101.020506
Blair W. Lebert , Hajime Yamamoto , Masaki Azuma , Rolf Heid , Satoshi Tsutsui , Hiroshi Uchiyama , Alfred Q. R. Baron , Benoît Baptiste , Matteo d'Astuto

We measure the dispersion of the Cu-O bond-stretching phonon mode in the high-temperature superconducting parent compound Ca2CuO2Cl2. Our density functional theory calculations predict a cosine-shaped bending of the dispersion along both the (ξ00) and (ξξ0) directions, while comparison with previous results on Ca1.84CuO2Cl2 show it only along (ξ00), suggesting an anisotropic effect which is not reproduced in calculation. Comparison with isostructural La2xSrxCuO4 and literature suggests that these calculations reproduce well the dispersion in the overdoped regime.

中文翻译:

Ca2-xCuO2Cl2化合物中掺杂引起的键拉伸声子软化的面内各向异性

我们测量了Cu-O键拉伸声子模式在高温超导母体化合物中的分散度 2氧化铜22。我们的密度泛函理论计算预测了色散沿两个方向的余弦形弯曲ξ00)和 ξξ0)方向,并与之前的结果进行比较 1.84氧化铜22 只显示 ξ00),表明各向异性效应在计算中未重现。与同构比较2-XrX氧化铜4 和文献表明,这些计算很好地再现了超掺杂状态下的色散。
更新日期:2020-01-23
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