相关论文: Magnetic exchange coupling in cuprate-analog $d^9$…
La$_2$NiO$_4$ is an antiferromagnetic insulator with a structural resemblance to its cuprate counterpart, La$_2$CuO$_4$. However, La$_2$CuO$_4$ has a Cu$^{2+}$ or 3$d^9$ electronic configuration that needs to be hole or electron doped for…
Based on first-principles calculations including a Coulomb repulsion term, we identify trends in the electronic reconstruction of $A$NiO$_2$/SrTiO$_3$(001) ($A=$ Pr, La) and $A$CuO$_2$/SrTiO$_3$(001) ($A=$ Ca, Sr). Common to all cases is…
In a previous study, we proposed a possibility of high $T_c$ superconductivity in mixed-anion nickelates with $d^{8+\delta}$ electron configuration. The theory was based on the fact that the two-orbital Hubbard model, when all the intra-…
The recent discovery of superconductivity in hole-doped planar nickelates R1-xSrNiO2 (R=Pr,Nd) raises the foundational question of how the electronic structure and electronic correlations of these Ni1+ compounds compare to those of the Cu2+…
A hallmark of many unconventional superconductors is the presence of many-body interactions which give rise to broken symmetry states intertwined with superconductivity. Recent resonant soft x-ray scattering experiments report commensurate…
The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite Cu$_x$Pb$_{10-x}$(PO$_4$)$_6$O (`LK99') have explored whether and how this…
A systematic inelastic neutron scattering study of the superexchange interaction in three different undoped monolayer cuprates (La_2CuO_4, Nd_2CuO_4 and Pr_2CuO_4) has been performed using conventional triple axis technique. We deduce the…
The recently discovered trilayer nickelate superconductor La$_4$Ni$_3$O$_{10}$ under pressure has emerged as a promising platform for exploring unconventional superconductivity. However, the pairing mechanism remains a subject of active…
Understanding the effect of chemical composition on the strength of magnetic interactions is key to the design of magnets with stronger exchange interactions. The magnetic divalent first-row transition metal (TM) thiocyanates are a class of…
Motivated by the recent observation of superconductivity in strontium doped NdNiO$_2$, we study the superconducting instabilities in this system from various vantage points. Starting with first-principles calculations, we construct two…
The recent discovery of superconductivity with $T_c \approx 80$~K in bilayer nickelate La$_3$Ni$_2$O$_7$ provides a new setting in which to test the organizing principles of unconventional high-temperature superconductivity. We show that…
We study the magnetic and electronic properties of Ni-intercalated NbSe$_2$.We calculate the magnetic exchanges of Ni$_x$NbSe$_2$ ($x = 1/3, 1/4,$ and $1$) and find that the out-of-plane magnetic coupling depends on the Ni connectivity: it…
The recent discovery of superconductivity in oxygen-reduced monovalent nickelates has raised a new platform for the study of unconventional superconductivity, with similarities and differences with the cuprate high temperature…
The recent discovery of ambient-pressure superconductivity with $T_c$ above 40 K in La$_3$Ni$_2$O$_7$ thin films represents a significant advance in the field of nickelate superconductor. Motivated by the experimental reports, here we study…
One of the biggest puzzles concerning the cuprate high temperature superconductors is what determines the maximum transition temperature (Tc,max), which varies from less than 30 K to above 130 K in different compounds. Despite this dramatic…
Using the DFT+dynamical mean-field theory method we revisit the pressure-temperature phase diagram of the prototypical correlated insulator NiO. We study the pressure-induced evolution of the electronic structure, magnetic state, and…
The discovery of superconductivity in infinite-layer nickelates has added a new family of materials to the fascinating growing class of unconventional superconductors. By incorporating the strongly correlated multi-orbital nature of the…
It is a distinct possibility that spin fluctuations are the pairing interactions in a wide range of unconventional superconductors. In the case of the high-transition-temperature (high-$T_c$) cuprates, in which superconductivity emerges…
Superconductivity in infinite-layer nickelates holds exciting analogies with that of cuprates, with similar structures and $3d$-electron count. Using resonant inelastic x-ray scattering (RIXS) we studied electronic and magnetic excitations…
Disorder has intriguing consequences for correlated electronic materials, which include several families of high-temperature superconductors and resistive switching systems. We address the question of why strongly correlated d-wave…