Chemistry and Physics Faculty Proceedings, Presentations, Speeches, Lectures

Elucidating Magnetic Phase Diagrams of Anitferromagnetic Li2Fe-IV-S4 Diamond-Like Semiconductors (DLSs) with Commensurate and Incommensurate Structures

Event Name/Location

247th ACS National Meeting and Exposition, Dallas, Texas, March 16-20, 2014

Presentation Date


Document Type

Conference Proceeding




DLSs with the general formula I2‑II‑IV‑VI4 are an attractive platform for tuning electronic structures and magnetic properties, while the structural simplicity provides an avenue to develop an intimate understanding of the effects of composition and bonding on properties. Such DLSs are currently being investigated for applications in thermoelectrics, laser systems, and solid-state batteries, among others. Since the cations that reside within I2-II-IV-VI4 DLSs are generally ordered, paramagnetic ions can be expected to occupy only certain positions; thus, valuable magnetic properties may materialize. Li2FeGeS4 and Li2FeSnS4 are among the first magnetic DLSs that crystallize in the wurtz-kesterite structure. As the tetravalent cation is varied from Ge to Sn, similar magnetic properties and phase diagrams are observed. However, Li2FeGeS4 and Li2FeSnS4 antiferromagnetics exhibit commensurate and incommensurate magnetic structures, respectively, as determined using neutron powder diffraction. Garnering a deeper understanding of such systems can ultimately benefit future design of magnetic semiconductors.

Additional Comments

NSF grant #: DMR-1201729