相关论文: Infinite Layer LaNiO(2): Ni(1+)is not Cu(2+)

Substitution of rare-earth ions for Ca in Bi2Sr2CaCu2O8+y is known to cause a metal-insulator transition. Using resonant photoemission we study how this chemical substitution affects the electronic structure of the material. For the partial…

Using \textit{ab initio} calculation, we investigate systematically the structural and electronic properties of Ni$_{2}$Nb$_{1+x}$Sn$_{1-x}$ ($x$ = 0, 0.25, 0.50). Here, projector augmented wave approach (PAW) implemented in the Vienna…

By preforming DFT+DMFT calculations, we systematically investigate the correlated electronic structure in the newly discovered monolayer-trilayer (ML-TL) phase of La$_3$Ni$_2$O$_7$ (1313-La327). Our calculated Fermi surfaces are in good…

We demonstrate in this paper that the recently discovered infinite-layer (IL) nickelates have much in common with a class of materials known as electrides. Oxide based electrides are compounds in which topotactic removal of loosely bound…

Transport in ultrathin films of LaNiO3 evolves from a metallic to a strongly localized character as the film's thickness is reduced and the sheet resistance reaches a value close to h/e2, the quantum of resistance in two dimensions. In the…

The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti…

Inelastic neutron scattering measurements demonstrate that the magnetic interactions in antiferromagnetic LaFeAsO are two-dimensional. Spin wave velocities within the Fe layer and the magnitude of the spin gap are similar to the…

We have investigated heavy-fermion behavior of the transition-metal oxides ACu3Ru4O12 (A = Na, Ca, La, and their mixtures). It has been known that CaCu3Ru4O12 exhibits Kondo-like behavior attributable to Cu2+ 3d electrons, similar to that…

We investigate various types of quantum entanglement in the octanuclear heterometallic $3d/4f$ complexes denoted as Ni$^{2+}_4$Gd$^{3+}_4$ under an external magnetic field, using the exact diagonalization approach. These molecular magnets,…

Sr$_{2}$NiIrO$_{6}$ would be a ferromagnetic (FM) insulator in terms of the common superexchange mechanism between the first nearest neighboring (1NN) magnetic ions Ni$^{2+}$ ($t_{2g}^{6}e_{g}^{2}$) and Ir$^{6+}$ ($t_{2g}^{3}$). However,…

IrTe$_2$ with large spin-orbital coupling (SOC) shows a CDW-like first order structural phase transition from high-temperature trigonal phase to low-temperature monoclinic phase at 270 K, accompanying with a large jump in transport and…

We study structurally-triggered metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ by means of local density approximation (LDA) +$U$ and LDA+dynamical mean-field theory (DMFT). The ferrimagnetic insulating phase is essentially the same…

Motivated by the recent activities on the Ni-based diamond lattice antiferromagnet NiRh$_2$O$_4$, we theoretically explore on a general ground the unique spin and orbital physics for the Ni$^{2+}$ ions with a $3d^8$ electron configuration…

(LaNiO3)n/(LaMnO3)2 superlattices were grown using ozone-assisted molecular beam epitaxy, where LaNiO3 is a paramagnetic metal and LaMnO3 is an antiferromagnetic insulator. The superlattices exhibit excellent crystallinity and interfacial…

Using advanced dynamical mean-field theory on a realistic level we study the normal-state correlated electronic structure of the high-pressure superconductor La$_3$Ni$_2$O$_7$ and compare the features of the conventional bilayer (2222)…

Ilmenites $AB$O$_3$ provide a platform for electron correlation and magnetism on alternatively stacked honeycomb layers of edge-sharing $A$O$_6$ or $B$O$_6$ octahedra. When $A$ and $B$ are $3d$ transition metals, strong electron correlation…

The magnetic sublayers introduced by intercalation into the host transition-metal dichalcogenide (TMD) are known to produce various magnetic states. The magnetic sublayers and their magnetic ordering strongly modify the electronic coupling…

The insulating state is one of the most basic electronic phases in condensed matter. This state is characterised by an energy gap for electronic excitations that makes an insulator electrically inert at low energy. However, for complex…

The study of magnetism in two-dimensional materials has garnered significant interest, driven by fundamental investigations into low-dimensional magnetic phenomena and their potential for applications in spintronic devices. Through…

The electronic structure of the infinite layer compound CaCuO$_2$ has been calculated with the B3LYP hybrid density functional. The mixing of the Hartree-Fock exchange in the exchange-correlation energy separated the bands crossing Fermi…