Magnetic spirals and biquadratic exchange in 1D MoX3 spin chains

• Published in: Journal of magnetism and magnetic materials Vol. 594
• Main Authors: Mella, Andy, Suárez-Morell, Eric, Nunez, Alvaro S.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.03.2024
• Subjects: Biquadratic exchange; van der Waals magnets; Biquadratic exchange; van der Waals magnets
• ISSN: 0304-8853
• DOI: 10.1016/j.jmmm.2024.171882

We researched the one-dimensional configurations of MoX3 (X = Cl, Br, and I), a spin chain with antiferromagnetically frustrated moments S=32 located at the Mo sites. Our research revealed a spontaneous magnetic order in this group of one-dimensional setups. The magnetic system within the one-dimensional chain reacts collectively due to various magnetic couplings, creating topological spirals with great potential for technology. The key element is the discovery of compelling evidence for biquadratic exchange, which has recently been studied in two-dimensional magnetism. Moreover, we identified antiferromagnetic couplings that go beyond the nearest neighbor, causing frustration. Our research also revealed the connection between these 1D structures through van der Waals interactions, turning them into appealing quasi-two-dimensional magnets with highly tailored electric and magnetic characteristics. Our extensive calculations provide a strong foundation for comprehending the complex behavior of these one-dimensional chains and provide insight into the development of innovative materials with improved electronic and magnetic characteristics. These advances pave the way for various technological applications, especially in new-generation spintronics and magnonic devices. [Display omitted] •Ab initio characterization of electric and magnetic states in 1D-MoX3 van der Waals magnets.•Study of different geometrical conformations of 1D and 2D van der Waals magnets.•Casting of a spin Hamiltonian that predicts spiral states in the above systems.