Two-Dimensional CuO Inside the Supportive Bilayer Graphene Matrix

Abstract

New two-dimensional (2D) copper monoxide located at the pore in a bilayer graphene matrix is investigated in both theoretical and experimental ways. Strict analysis of the lattice stability with respect to the magnetic state reveals that the CuO monolayer displays an antiferromagnetic rectangular structure as a favorable state. It is shown that 2D CuO can be confined in a bilayered graphene pore terminated with Cu atoms forming spin-polarized states on the graphene/CuO interface. It is found that the co-presence of Cu and O atoms around the bilayered graphene edge plays an essential role in the 2D CuO formation process.

Magnetic Interaction in Doped 2D Perovskite Cuprates with Nanoscale Inhomogeneity: Lattice Nonlocal Effects vs. Superexchange

“…The tilting angle α U at the orientation angle θ U corresponds to the relaxation a 1g modes, and the tilting angle α D at the orientation angle θ D corresponds to the JT active b 1g modes. The absence of superconductivity in the AFM CuO layers on graphene [54,55] indicates the key role of rock salt layers in 2D doped cuprates [4]. The direct similarity of the structures of the undoped LCO and non-JT La 2 NiO 4 materials [56], where Ni 2+ ions are in the high spin state S = 1, which also indicates the missing JT effect in the N 0 (d 9 ) sector of the configuration space of the CuO 2 layer.…”

Magnetic Interaction in Doped 2D Perovskite Cuprates with Nanoscale Inhomogeneity: Lattice Nonlocal Effects vs Superexchange

“…The absence of the superconductivity in the AFM CuO layers on graphene 43,44 points to a key role of rock salt LaO layers in 2D doped cuprates. 4 The direct similarity of the structures of the nondoped LCO and the non-JT La 2 N iO 4 materials, 45 where ions N i 2+ is in the high spin state S = 1, also points to missing JT effect in the N 0 (d 9 ) sector of the configuration space of CuO 2 layer.…”

Electronic Structure and Minimal Models for Flat and Corrugated CuO Monolayers: An Ab Initio Study

“…Moreover, a number of experiments and theoretical studies were carried out on various structural modifications of the monolayer: monolayer in a graphene pores and freestanding monolayer [ 18 ], monolayer on a graphene substrate [ 19 ], different combinations of monolayers as an interface between bilayer graphene and finding thermodynamically stable freestanding monolayer using the evolutionary algorithm [ 20 ]. In Ref.…”

“…The description of the electronic structure of systems is also far from being complete—the authors were able to find some data in Ref. [ 18 , 20 ], but no more than that. Besides, at the moment the authors are not aware of any works where a minimal model has been formulated neither for an isolated perfectly flat monolayer , nor for more complex crystal structures such as the corrugated monolayer, monolayer on a substrate or monolayer as an interface.…”