Strain engineering of topological magnons in chromium trihalides from first-principles
Abstract
Recent experiments evidence the direct observation of spin waves in chromium trihalides and a gap at the Dirac points of the magnon dispersion in bulk CrI3. However, the topological origin of this feature remains unclear and its emergence at the 2D limit has not yet been proven experimentally. Herein, we perform a fully self-consistent ab initio analysis that supports the presence of topological magnons in chromium trihalides monolayers. Our results confirm the existence of a gap around the K high-symmetry point in the linear magnon dispersion of CrI3, which originates as a direct consequence of intralayer Dzyaloshinskii-Moriya (DM) interaction. In addition, our orbital resolved analysis reveals the microscopic mechanisms that can be exploited using strain engineering to increase the strength of the DM interaction and thus control the gap size in CrI3. This paves the way to the further development of this family of materials as building-blocks for topological magnonics at the limit of miniaturization.