▎ 摘　　要

NOVELTY - Structural design of a two-dimensional adjustable ferroelectric polarization material based on iron intercalated graphene oxide comprises (a) selecting two-dimensional graphene oxide as base material, (b) using Materials Studio 2019 and VESTA visual structure drawing software to simulate the construction of iron intercalated graphene oxide crystal structure, using VASP software package to perform preliminary structure optimization after intercalation, calculating the iron intercalation the best adsorption position, (c) moving the iron atom position up and down along the c-axis direction, (d) fixing the iron-intercalated graphene oxide film on the lattice-matched substrate, applying strain to the film by applying two-dimensional mechanical stress to the substrate and (e) randomly distributing iron ions at these positions during intercalation since the stable adsorption positions of iron ion intercalation are symmetrical about the C atomic layer. USE - The method is useful for structural design of a two-dimensional adjustable ferroelectric polarization material based on iron intercalated graphene oxide. ADVANTAGE - The method: has simple structure design, convenient operation and easy processing; can greatly improve the integration degree and the like and requires less external electric field for realizing ferroelectric information storage, which has a very considerable application prospect. DETAILED DESCRIPTION - Structural design of a two-dimensional adjustable ferroelectric polarization material based on iron intercalated graphene oxide comprises (a) selecting two-dimensional graphene oxide as base material, where the graphene oxide is obtained by covalent bonding of oxygen and carbon in graphene, graphene is carbon to form a hexagonal honeycomb structure, in the graphene oxide, the oxygen layer is distributed with plane inversion symmetry with respect to the carbon atomic layer, the next-nearest carbon atoms and oxygen form a covalent bond on the same side, i.e. oxygen and carbon atoms form a covalent bond. The centrosymmetric structure of the 6C is obtained, and the system has no polarization, (b) using Materials Studio 2019 and VESTA visual structure drawing software to simulate the construction of iron intercalated graphene oxide crystal structure, using VASP software package to perform preliminary structure optimization after intercalation, calculating the iron intercalation the best adsorption position, (c) moving the iron atom position up and down along the c-axis direction, where the c-axis direction is perpendicular to the plane direction, determining that the iron ions move from above the plane to the bottom of the plane, where the energy barrier that needs to be overcome due to the movement of Fe ions to cause polarization inversion, judging the possibility of ferroelectric polarization inversion in the two-dimensional material preliminarily, (d) fixing the iron-intercalated graphene oxide film on the lattice-matched substrate, applying strain to the film by applying two-dimensional mechanical stress to the substrate and (e) randomly distributing iron ions at these positions during intercalation since the stable adsorption positions of iron ion intercalation are symmetrical about the C atomic layer, which may cause the two-dimensional structure of the intercalation to have no macroscopic ferroelectric polarization, where the iron-intercalated graphene oxide film fixed on the substrate should be monodomainized, placing the film in a strong constant external electric field for initial polarization, and the obtained single-layer film is a single-phase single crystal.