Predictions for structural stability and electronic evolution in pressure-induced overdoped YBa2Cu3O7
Predictions for structural stability and electronic evolution in pressure-induced overdoped YBa2Cu3O7
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压力诱导过掺杂 YBa2Cu3O7 结构稳定性和电子演化的预测
DOI：
10.1016/j.commatsci.2018.09.015
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发表时间：
2018-12
影响因子：
3.3
通讯作者：
Xiao Fan Gou
中科院分区：
文献类型：
--
作者：
Jin Jin Cao;Tian Ge Wang;Xiao Fan Gou
铜酸盐整个过掺杂区域的电子演化从未被访问过，尽管对这种演化的澄清应该有助于完善产生超导性的关键物理参数。出于揭示这一点，我们进行了第一性原理计算和分子动力学模拟的压力诱导过掺杂的YBa 2Cu 3 O 7。正交晶系YBa_2Cu_3O_7的力学和动力学稳定性为探索电子演化奠定了基础。我们发现在整个过掺杂区中没有发现半导体态的跃迁，类似的费米面仍然存在。讨论了CuO 2面电荷密度的作用。此外，根据BCS图象的分析，我们认为电子-声子区对Tc的影响并不显著，而与N（EF）的演化或货车霍韦奇点（VHs）的位置有关，EF-EVH，如果拍摄BCS照片，可能为揭示YBa_2Cu_3O_7类超导性提供另一种途径。
The electronic evolution in the entire overdoped region of cuprates has never been accessed, though the clarification of this evolution should help to refine the crucial physical arguments in producing the superconductivity. Motivated by uncovering this, we performed first-principles calculations and molecular dynamics simulations for the pressure-induced overdoped YBa2Cu3O7. The mechanical and dynamic stability of orthorhombic YBa2Cu3O7lays the foundation of exploration for the electronic evolution. We found that no transition of semiconducting state was identified and similar Fermi surfaces still exist in the entire overdoped region. The role of charge density at CuO2plane was also discussed. Moreover, based on the analysis of BCS picture, we recommended that the electron-phonon regime is not prominently responsible for theTc, and the evolution ofN(EF) or the position of Van Hove singularity (VHs), i.e.,EF-EVHs, may direct an alternative way instead to uncover the superconductivity of YBa2Cu3O7category if the BCS picture is taken.
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影响因子：
4
作者：
T. Muramatsu;D. Pham;C. Chu
通讯作者：
T. Muramatsu;D. Pham;C. Chu
DOI：
10.1016/0921-4534(88)90584-9
发表时间：
1988-06
影响因子：
1.7
作者：
K. Syassen;M. Hanfland;K. Strössner;M. Holtz;W. Kress;M. Cardona;U. Schröder;J. Prade;A. D. Kulkarni;F. Wette
通讯作者：
K. Syassen;M. Hanfland;K. Strössner;M. Holtz;W. Kress;M. Cardona;U. Schröder;J. Prade;A. D. Kulkarni;F. Wette
影响因子：
3.7
作者：
Ambrosch-Draxl, C;Auer, H;Mayer, M
通讯作者：
Mayer, M
影响因子：
3.7
作者：
J. Storey;J. Tallon;J. Tallon;Grant V. M. Williams
通讯作者：
J. Storey;J. Tallon;J. Tallon;Grant V. M. Williams
影响因子：
64.8
作者：
DAVID, WIF;HARRISON, WTA;GRACE, JD
通讯作者：
GRACE, JD