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The abstract of Phys. Rev. Lett. 121, 157001 (2018) claims to demonstrate, using ab initio computations, a new trend suggesting that the cuprates with stronger out-of-CuO$_{2}$-plane chemical bonding between the apical anion (O, Cl) and apical cation (e.g., La, Hg, Bi, Tl) are generally correlated with higher $T_{c,max}$ in experiments. We point out that this trend is included in the long-known [Phys. Rev. Lett. 87, 047003 (2001)] correlation of $T_{c,max}$ with the hopping range of the electrons at (the most interlayer-bonding sheet of) the Fermi-surface. Contrary to the impression given in Phys. Rev. Lett. 121, 157001 (2018), the correlation mentioned in Phys. Rev. Lett. 87, 047003 (2001) is not simply with the distance, $d_{A},$ of apical oxygen from the nearest CuO$_{2}$ plane; but rather, as stated in the abstract of Phys. Rev. Lett. 87, 047003 (2001), It is controlled by the energy of the axial orbital, a hybrid between Cu 4$s$, apical-oxygen 2$p_{z},$ and farther orbitals.
In high Tc superconductors the magnetic and electronic properties are determined by the probability that valence electrons virtually jump from site to site in the CuO2 planes, a mechanism opposed by on-site Coulomb repulsion and favored by hopping in
Charge order in cuprate superconductors is a possible source of anomalous electronic properties in the underdoped regime. Intra-unit cell charge ordering tendencies point to electronic nematic order involving oxygen orbitals. In this context we inves
Using a mix of numerical and analytic methods, we show that recent NMR $^{17}$O measurements provide detailed information about the structure of the charge-density wave (CDW) phase in underdoped YBa$_2$Cu$_3$O$_{6+x}$. We perform Bogoliubov-de Gennes
To understand the origin of unconventional charge-density-wave (CDW) states in cuprate superconductors, we establish the self-consistent CDW equation, and analyze the CDW instabilities based on the realistic Hubbard model, without assuming any $q$-de
Comparison of recent experimental STM data with single-impurity and many-impurity Bogoliubov-de Gennes calculations strongly suggests that random out-of-plane dopant atoms in cuprates modulate the pair interaction locally. This type of disorder is cr