Search

Two-dimensional (2D) 1T-VSe$_2$ has prompted significant interest due to the discrepancies regarding alleged ferromagnetism (FM) at room temperature, charge density wave (CDW) states and the interplay between the two. We employed a combined Diffusion Monte Carlo (DMC) and density functional theory (DFT) approach to accurately investigate the magnetic properties and response of strain of monolayer 1T-VSe$_2$. Our calculations show the delicate competition between various phases, revealing critical insights into the relationship between their energetic and structural properties. We went on to perform Classical Monte Carlo simulations informed by our DMC and DFT results, and found the magnetic transition temperature ($T_c$) of the undistorted (non-CDW) FM phase to be 228 K and the distorted (CDW) phase to be 68 K. Additionally, we studied the response of biaxial strain on the energetic stability and magnetic properties of various phases of 2D 1T-VSe$_2$ and found that small amounts of strain can enhance the $T_c$, suggesting a promising route for engineering and enhancing magnetic behavior. Finally, we synthesized 1T-VSe$_2$ and performed Raman spectroscopy measurements, which were in close agreement with our calculated results. Our work emphasizes the role of highly accurate DMC methods in advancing the understanding of monolayer 1T-VSe$_2$ and provides a robust framework for future studies of 2D magnetic materials.

In recent years, there has been increasing interest in the understanding and application of nanoparticle assemblies driven by external fields. Although these systems can exhibit marked transitions in behavior compared to non-interacting counterparts, it has often proven challenging to connect their dynamics with underlying physical mechanisms or even to verifiably establish their structure under realistic experimental conditions. We have studied colloidal iron oxide nanoparticles that assemble into ordered, few-particle linear chains under the influence of oscillating and pulsed magnetic fields. Cryo-EM has been used to flash freeze and image the structures formed by oscillatory drive fields, and magnetic relaxometry has been used to extract the multiple time constants associated with magnetic switching of the short chains. Armed with the physical structure from cryo-EM and the field-dependent switching times from magnetic measurements, we have conducted extensive micromagnetic simulations, revealing probable mechanisms for each time constant regime spanning $10^{9}$ in time and how switching develops from individual particles to entire chains. These types of magnetic nanomaterials have great potential for biomedical technologies, particularly magnetic particle imaging and hyperthermia, and rigorous elucidation of their physics will hasten their optimization.