Related papers: Turning a nickelate Fermi surface into a cuprate-l…
Electron correlation in cuprates leads to a global constraint $\sum_{\bf k} \Delta_{\bf k} = 0$ on the gap function $\Delta_{\bf k}$ resulting in a gap nodal surface. We give physical arguments supported by numerical results and discuss…
We used fully correlated ab initio calculations to determine the effective parameters of Hubbard and t - J models for the thermoelectric misfit compound $\rm Ca_3Co_4O_9$. As for the $\rm Na_xCoO_2$ family the Fermi level orbitals are the…
Trilayer Ruddlesden-Popper phase La4Ni3O10 has been observed with Tc of about 30 K at high pressure in recent experiment, which further expanded the family of nickelate superconductors. In this study, we explored the effects of electronic…
Long viewed as passive elements, antiferromagnetic materials have emerged as promising candidates for spintronic devices due to their insensitivity to external fields and potential for high-speed switching. Recent work exploiting spin and…
In this letter, we propose ternary nickel hydrides MNiH2 (M = Li, Na) as new materials that mimic cuprate physics but have important differences and interesting properties. Ni-H bands are wider than in oxides due to shorter bond lengths and…
Motivated by the recent experimental determination of the three-dimensional Fermi surface of overdoped La-based cuprate superconductors [Horio et al., Phys. Rev. Lett. 2018, 121, 077004], we revisit the tight-binding parameterization of…
Dimensionality and electronic correlations are crucial elements of many quantum material properties. An example is the change of the electronic structure accompanied by the loss of quasiparticles when a metal is reduced from three…
By constructing $d_{x^2-y^2}-d_{z^2}$ two-orbital models from first principles, we have obtained a systematic correlation between the Fermi surface warping and the evaluated $T_c$ for various bilayer as well as single-layer cuprates. This…
A unified theory for the cuprates and the iron-based superconductors is derived on the basis of common features in their electronic structures including quasi-two-dimensionality, and the large-U nature of the electron orbitals close to E_F…
The iron pnictides and the cuprates represent two families of materials, where strong antiferromagnetic correlation drives three other distinct ordering tendencies: (1) superconducting pairing, (2) Fermi surface distortion, and (3) orbital…
Motivated by the recent observation of superconductivity in the pressurized trilayer La$_4$Ni$_3$O$_{10}$ Ruddlesden-Popper (RP) nickelate, we explore its structural, electronic, and magnetic properties as a function of hydrostatic pressure…
High temperature superconductivity was recently found in the bilayer nickelate $\rm{La}_3 \rm{Ni}_2 \rm{O}_7$ (La327), followed by the discovery of superconductivity in the trilayer $\rm{La}_4 \rm{Ni}_3 \rm{O}_{10}$ (La4310), under high…
We show that hole-doped cuprates can harbor {\it Fermi-surface-free superconductivity} similar to the case of the pnictides. This occurs near the doping at which a new Fermi surface pocket appears in the antinodal region. The change in…
Infinite-layer nickelate thin films materialize an intriguing new platform for high-temperature unconventional superconductivity, with LaNiO$_2$/SrTiO$_3$ as reference setup. We discuss the relative stability of the elementary interfaces of…
The recent discovery of superconductivity with a transition temperature $T_c$ exceeding 40 K in La$_3$Ni$_2$O$_7$ and (La,Pr)$_{3}$Ni$_2$O$_7$ thin films at ambient pressure marks a significant breakthrough in the field of nickelate…
Motivated by recent experimental studies on superconductivity found in nickelate-based materials, we study the temperature dependence of the spin correlation and the superconducting pairing interaction within an effective two-band Hubbard…
Heterostructure engineering provides an efficient way to obtain several unconventional phases of LaNiO3, which is otherwise paramagnetic, metallic in bulk form. In this work, a new class of short periodic superlattices, consisting of LaNiO3…
Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…
A detailed tight-binding analysis of the electron band structure of the CuO_2 plane of layered cuprates is performed within a sigma-band Hamiltonian including four orbitals - Cu3d_x^2-y^2, Cu4s, O2p_x, and O2p_y. Both the experimental and…
The interaction of atomic orbitals at the interface of perovskite oxide heterostructures has been investigated for its profound impact on the band structures and electronic properties, giving rise to unique electronic states and a variety…