Curved Magnetism in CrI_{3}.

Area of Science:

• Condensed Matter Physics
• Materials Science
• Spintronics

Background:

• Curved magnets exhibit complex magnetic phase diagrams with exotic spin states.
• Accurate micromagnetic simulations require reliable material parameters.
• Flexomagnetism, the coupling between strain and magnetization, is crucial for understanding curved magnetic systems.

Purpose of the Study:

• To develop a method for determining flexomagnetic coupling coefficients using first-principles calculations.
• To investigate curvature-induced magnetic phase transitions in monolayer CrI3.
• To elucidate the role of spin-orbit interactions in curvature-driven magnetic anisotropy.

Main Methods:

• Noncollinear-spin-polarized density-functional theory (DFT) calculations.
• Determination of flexomagnetic coupling coefficients from DFT.
• Analysis of magnetic energy contributions (anisotropy, Dzyaloshinskii-Moriya interaction) as a function of curvature.

Main Results:

• A crossover in magnetization from normal to cycloidal states with increasing curvature in CrI3.
• Quantification of flexomagnetic coupling coefficients for CrI3.
• Demonstration of a significant influence of spin-orbit interactions on curvature-induced magnetic anisotropy.

Conclusions:

• First-principles DFT is a viable method for calculating flexomagnetic coefficients.
• Curvature can controllably tune magnetic states in 2D materials like CrI3.
• Spin-orbit interactions play a critical role in flexomagnetic phenomena, impacting theoretical models.