Evidence is growing that a second dome of high-$T_{\mathrm{c}}$ superconductivity can be accessed in the cuprates by increasing the doping beyond the first dome. Here, we use ab initio methods without invoking any free parameters, such as the Hubbard $U$, to reveal that pressure could turn ${\mathrm{YBa}}_2{\mathrm{Cu}}_3{\mathrm{O}}_7$ into an ideal candidate for second dome superconductivity, displaying the predicted signature of strongly hybridized $d_{x^2-y^2}$ and $d_{z^2}$ orbitals. Notably, pressure is found to induce a phase transition replacing the antiferromagnetic phases with an orbitally degenerate $d-d$ phase. Our study suggests that the origin of the second dome is correlated with the oxygen-hole fraction in the ${\mathrm{CuO}}_2$ planes and the collapse of the pseudogap phase.

Close

PrevNext

View figure in article

• Doping effects
• Electrical properties
• Electronic structure
• Fermi surface
• Flat bands
• Magnetic phase transitions
• Pairing mechanisms
• Pressure effects
• Superconducting phase transition
• Charge-transfer insulators
• Cuprates
• High-temperature superconductors
• Magnetic systems
• Mott insulators
• Band structure methods
• Density functional theory
• First-principles calculations
• Pressure techniques
• Tight-binding model