Exotic states materialize with supercomputers

The Next Generation

Exotic states materialize with supercomputers. Materials with novel electrical properties discovered using XSEDE computational resources Stampede and Lonestar supercomputers of TACC

The science team included Ju Li, Liang Fu, Xiaofeng Qian, and Junwei Liu, experts in topological phases of matter and two-dimensional materials research at the Massachusetts Institute of Technology (MIT). They calculated the electronic structures of the materials using the Stampede and Lonestar supercomputers of the Texas Advanced Computing Center.

The computational allocation was made through XSEDE, the Extreme Science and Engineering Discovery Environment, a single virtual system funded by the National Science Foundation (NSF) that scientists use to interactively share computing resources, data and expertise. The study was funded by the U.S. Department of Energy and the NSF.

This picture tells quite a story to scientists. It's a portrait of what they call a topological insulator, materials that conduct only at their edges. Technically it shows the edge density of states calculated for a monolayer transition metal dichalcogenide in the 1T'-MoS2 structural phase.  There's a black gap between the purple blobs at the bottom and top. What's more, there's crisscrossing reddish lines that bridge the gap. The lines indicate the edge state of the material, allowing electrons to cross the gap and conduct electricity. CREDIT: (Credit: Qian et. al.) This picture tells quite a story to scientists. It’s a portrait of what they call a topological insulator, materials that conduct only at their edges. Technically it shows the edge…

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