相关论文: Infinite Layer LaNiO(2): Ni(1+)is not Cu(2+)
The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…
We report the synthesis, structure and physical properties of a new quaternary nitride LaCr$_2$Ge$_2$N. The compound crystallizes in the CeCr$_2$Si$_2$C-type structure (P4/mmm), featuring distinctive Cr$_2$N square sheets within…
The discovery of high-$T_c$ superconductivity (SC) in La$_3$Ni$_2$O$_7$ (LNO) has aroused a great deal of interests. Previously, it was proposed that the Ni-$3d_{z^2}$ orbital is crucial to realize the high-$T_c$ SC in LNO: The preformed…
A charge order (CO) with a wavevector $\mathbf{q}\simeq\left(\frac{1}{3},0,0\right)$ is observed in infinite-layer nickelates. Here we use first-principles calculations to demonstrate a charge-transfer-driven CO mechanism in infinite-layer…
The material class of rare earth nickelates with high Ni$^{3+}$ oxidation state is generating continued interest due to the occurrence of a metal-insulator transition with charge order and the appearance of non-collinear magnetic phases…
We report on the first observation of a pronounced re-entrant superconductivity phenomenon in superconductor/ferromagnetic layered systems. The results were obtained using a superconductor/ferromagnetic-alloy bilayer of Nb/Cu(1-x)Ni(x). The…
The copper fluoride Cu$_2$F$_5$ is a compound with 2D-magnetic exchange interactions between the Cu ions in the $S=1$ and $S=\frac{1}{2}$ spin-states. Using ab-initio calculations, we predict that the existence of 5% vacancies in the…
Based on First-principles calculation, we have investigated electronic structure of a ZrCuSiAs structured superconductor LaNiPO. The density of states, band structures and Fermi surfaces have been given in detail. Our results indicate that…
The charge transfer antiferromagnetic (T$_{N}$ =220 K) insulator EuNiO$_{3}$ undergoes, at ambient pressure, a temperature-induced metal insulator MI transition at T$_{MI}$=463 K. We have investigated the effect of pressure (up to p~20 GPa)…
Insulator-to-metal transition in Ca$_{2}$RuO$_{4}$ has drawn keen attention because of its sensitivity to various stimulation and its potential controllability. Here, we report a direct observation of Fermi surface, which emerges upon…
In contrast to the cuprates, where the proximity of antiferromagnetism (AFM) and superconductivity is well established, first indications for AFM interactions in superconducting infinite-layer nickelates were only recently obtained. Here,…
In layered LiNixMnyCozO2 cathode material for lithium-ion batteries, the spins of transition metal (TM) ions construct a two-dimensional triangular networks, which can be considered as a simple case of geometrical frustration. By performing…
Recent experimental study on Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ superconductors has revealed an unexpected quantum phase transition from superconducting state to insulatinglike state under pressure [Zhou et al., Nat. Phys. 18, 406 (2022)]. To…
X-ray absorption spectroscopy and resonant soft x-ray reflectivity show a non-uniform distribution of oxygen holes in a La2NiO4 - La2CuO4 (LNO-LCO) superlattice, with excess holes concentrated in the LNO layers. Weak ferromagnetism with Tc…
Although the density functional theory plus Hubbard $U$ correction method (DFT+U) is broadly used to study electronic structure of strongly correlated materials, the extension of this method to electron-phonon $g$ matrices has received…
Rietveld analysis of the powder X-ray diffraction of a new layered oxyarsenide, LaNiOAs, which was synthesized by solid-state reactions, revealed that LaNiOAs belongs to the tetragonal ZrCuSiAs-type structure (P4/nmm) and is composed of…
After the significant discovery of the hole-doped nickelate compound Nd$_{0.8}$Sr$_{0.2}$NiO$_2$, an analysis of the electronic structure, orbital components, Fermi surfaces and band topology could be helpful to understand the mechanism of…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
The diverse functionality emerging at oxide interfaces calls for a fundamental understanding of the mechanisms and control parameters of electronic reconstructions. Here, we explore the evolution of electronic phases in…
We have revisited the electronic structure of infinite-layer RNiO$_2$ (R= La, Nd) in light of the recent discovery of superconductivity in Sr-doped NdNiO$_2$. From a comparison to their cuprate counterpart CaCuO$_2$, we derive essential…