Inverse Design of Surface-Based Magnetic Nanostructures

Multiscale modeling is gaining an increasingly important role in guiding the fabrication of artificially structured nanomaterials~with atomic-scale precision and desirable physical properties. In this talk, two~recent examples will be presented to~illustrate~its predictive power in modern materials research. The modeling~approaches range from electronic-scale calculations~based on first principles~to mesoscopic-scale continuum elasticity theory. Specific examples include: (a)~fabrication of~ordered magnetic atom wires on non-magnetic~metal substrates; (b)~optimal dopant control~in dilute magnetic semiconductors via ``Subsurfactant Epitaxy.'' Emphasis will be made on the~substantially improved structure-property relationships achieved through such synergetic efforts between theory and experiment, including in the second example the striking observation of magnetic ordering temperatures well above 300 K.