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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
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 . Our density functional theory calculations predict a cosine-shaped bending of the dispersion along both the ) and ) directions, while comparison with previous results on show it only along ), suggesting an anisotropic effect which is not reproduced in calculation. Comparison with isostructural 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 。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)和 )方向,并与之前的结果进行比较 只显示 ),表明各向异性效应在计算中未重现。与同构比较 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
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 。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)和 )方向,并与之前的结果进行比较 只显示 ),表明各向异性效应在计算中未重现。与同构比较 和文献表明,这些计算很好地再现了超掺杂状态下的色散。