相关论文: Magnetic exchange coupling in cuprate-analog $d^9$…
Motivated by significant discrepancies between experimental observations of electron-doped cuprates and numerical results of the Hubbard model, we investigate the role of nearest-neighbor (NN) electron interactions $V$ by studying the…
We report neutron scattering studies on single crystals of the electron-doped (n-type) superconducting cuprate Nd2-xCexCuO4 (x=0.15) with Tc = 18 K and 25 K. Unlike the hole-doped (p-type) superconducting cuprates where incommensurate…
The recently discovered cuprate superconductor Ba$_2$CuO$_{3+\delta}$ exhibits a high $T_c\simeq73$K at $\delta\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different…
We report ab initio quantum chemical cluster calculations of the chain (J_a) and the largest interchain (J_b) Heisenberg exchange of the chain cuprates Ca_2CuO_3 and Sr_2CuO_3. We find that J_a is comparable to the in-plane J in layered…
The recent observation of superconductivity in an infinite-layer and quintuple-layer nickelate within the same $R_{n+1}$Ni$_{n}$O$_{2n+2}$ series ($R$ = rare-earth, $n=2-\infty$, with $n$ indicating the number of NiO$_{2}$ layers along the…
We give a brief review of the Mott-Kondo scenario and its consequence in the recently-discovered infinite-layer nickelate superconductors. We argue that the parent state is a self-doped Mott insulator and propose an effective $t$-$J$-$K$…
Trilayer nickelates, which exhibit a high degree of orbital polarization combined with an electron count (d8.67) corresponding to overdoped cuprates, have been identified as a promising candidate platform for achieving high-Tc…
In cuprate high-temperature superconductors, an antiferromagnetic Mott insulating state can be destabilized toward unconventional superconductivity by either hole- or electron-doping. In addition to these two electronic phases there is now…
The interplay of charge orders with superconductivity in underdoped cuprates at high magnetic fields ($H$) is an open question, and even the value of the upper critical field ($H_{c2}$), a measure of the strength of superconductivity, has…
Motivated by the recent discovery of superconductivity in infinite-layer nickelates RE$_{1-\delta}$Sr$_\delta$NiO$_2$ (RE$=$Nd, Pr), we study the role of Hund's coupling $J$ in a quarter-filled two-orbital Hubbard model which has been on…
Rare-earth nickelates RNiO$_2$ adopting an infinite-layer phase show superconductivity once La, Pr or Nd are substituted by a divalent cation. Either in the pristine or doped form, these materials are reported to adopt a high symmetry,…
The magnetic and electronic properties of trilayer La4Ni3O8, similar to hole doped cuprates, are investigated by performing full-potential linearized augmented plane wave method-based spin-polarized calculations with LDA and GGA functionals…
Superconductors are a striking example of a quantum phenomenon in which electrons move coherently over macroscopic distances without scattering. The high-temperature superconducting oxides(cuprates) are the most studied class of…
We compare the Tcs found in different families of optimally-doped High-Tc cuprates and find, contrary generally accepted lore, that pairing is not exclusively in the CuO2 layers. Evidence for additional pairing interactions, that take place…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
We consider possible high temperature superconductivity (high-T$_c$) in transition metal compounds with a cubic zinc-blende lattice structure. When the electron filling configuration in the d-shell is close to d$^7$, all three t$_{2g}$…
We calculate the Heisenberg exchange J in the quasi-2D antiferromagnetic cuprates La2CuO4, YBa2Cu3O6, Nd2CuO4 and Sr2CuO2Cl2. We apply all-electron (MC)SCF and non-orthogonal CI calculations to [Cu2O11]18-, [Cu2O9]14-, [Cu2O7]10- and…
Superconductivity in square BX$_2$-plane-based materials currently is only found in $d^9$ configuration. This raises a question that whether other configurations $d^{n}$ ($n\neq 9$) of transition metals in the prototype of square BX$_2$…
We suggest, and demonstrate, a systematic approach to the study of cuprate superconductors, namely, progressive change of ion size in order to systematically alter the interaction strength and other key parameters. R(Ba,Sr)$_2$Cu$_3$O$_y$…
Motivated by the discovery of superconductivity in infinite-layer nickelates RNiO$_2$ (R= rare-earth), and the subsequent enhancement of their T$_c$ with pressure, we investigate the evolution of the electronic structure and magnetic…