Statistical modeling of epitaxial thin films of an intrinsic antiferromagnetic topological insulator

Author(s)

Penacchio, Rafaela F. S. ; Fornari, Celso, I ; Camillo, Yori G. ; Kagerer, Philipp ; Buchberger, Sebastian ; Kamp, Martin ; Bentmann, Hendrik ; Reinert, Friedrich ; Morelhao, Sergio L.

• Document type: Journal article
• Source: Thin Solid Films; v. 750, p. 13-pg., 2022-05-31.

Abstract

Synthesis of materials demands structural analysis tools suited to the particularities of each system. Van der Waals (vdW) materials are fundamental in emerging technologies of spintronics and quantum information processing. In particular, topological insulators and, more recently, materials that allow the phenomenological exploration of the combination of non-trivial electronic band topology and magnetism. Weak vdW forces between atomic layers give rise to compositional fluctuations and structural disorder that are difficult to control, even in a typical topological insulator such as the binary compound Bi2Te3. The addition of a third element, as in MnBi2Te4, makes the epitaxy of these materials even more chaotic. In this work, statistical modeling of MnxBi2Te3+x film structures is described. It allows the simulation of X-ray diffraction in disordered MnBi2Te4/ Bi2Te3 heterostructures, a necessary step towards controlling the epitaxial growth of topological insulators with intrinsic magnetic properties. On top of this, the diffraction simulation method used here can be readily applied as a general tool in the field of materials design based on stacking of vdW bonded layers of distinct elements. (AU)

• FAPESP's process: 19/01946-1 - X-ray diffraction and scattering in materials: advanced methods II
• Grantee: Sérgio Luiz Morelhão
• Support Opportunities: Regular Research Grants
• FAPESP's process: 21/01004-6 - Dynamic X-ray diffraction with advanced synchrotron radiation sources: methodologies for applications in biological and material systems technological
• Grantee: Rafaela Felix da Silva Penacchio
• Support Opportunities: Scholarships in Brazil - Doctorate (Direct)