New technique allows simulation of noncrystalline materials

Friday, June 22, 2012 - 03:30 in Physics & Chemistry

A multidisciplinary team of researchers at MIT and in Spain has found a new mathematical approach to simulating the electronic behavior of noncrystalline materials, which may eventually play an important part in new devices including solar cells, organic LED lights and printable, flexible electronic circuits.The new method uses a mathematical technique that has not previously been applied in physics or chemistry. Even though the method uses approximations rather than exact solutions, the resulting predictions turn out to match the actual electronic properties of noncrystalline materials with great precision, the researchers say. The research is being reported in the journal Physical Review Letters, published June 29.Jiahao Chen, a postdoc in MIT’s Department of Chemistry and lead author of the report, says that finding this novel approach to simulating the electronic properties of “disordered materials” — those that lack...

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