Publications

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Yan Q, Janotti A, Scheffler M, de Walle V, G C.  2012.  Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters. 100:142110.
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Yu J, Scheffler M, Metiu H.  2013.  Oxidative Dehydrogenation of Methane by Isolated Vanadium Oxide Clusters Supported on Au (111) and Ag (111) Surfaces. The Journal of Physical Chemistry C. 117:18475–18483.
Yan Q, Janotti A, Scheffler M, Van de Walle CG.  2014.  Origins of optical absorption and emission lines in AlN. Applied Physics Letters. 105:111104.
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Carbogno C, Levi CG, Van de Walle CG, Scheffler M.  2014.  Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B. 90:144109.
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Yan Q, Rinke P, Janotti A, Scheffler M, Van de Walle CG.  2014.  Effects of strain on the band structure of group-III nitrides. Physical Review B. 90:125118.

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Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.

 

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