Superconductivity in hydrogen sulfide in the presence of carbon
ORAL
Abstract
We examine the role of carbon in superconducting hydrogen sulfide. We obtained a number of unique structures from a simulation cell containing carbon, hydrogen. and sulfur atoms with randomized atomic coordinates. We also reproduced some structures reported in the literature. In general, the presence of carbon atoms does not raise the superconducting transition temperature of hydrogen sulfide compounds. We discuss the origin of this trend by a detailed examination of structural and electronic properties in these systems.
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Presenters
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Yuki Sakai
University of Texas at Austin, Center for Computational Materials, Oden Institute of Computational Engineering and Sciences, University of Texas at Austin, Austin, TX 78712, USA
Authors
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Yuki Sakai
University of Texas at Austin, Center for Computational Materials, Oden Institute of Computational Engineering and Sciences, University of Texas at Austin, Austin, TX 78712, USA
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James R Chelikowsky
University of Texas at Austin, Texas Center for Superconductivity and Department of Chemistry, University of Houston, Houston, TX 77204, USA
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Marvin L Cohen
University of California, Berkeley, Department of Physics, University of California Berkeley, Berkeley, CA 94720, USA; Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA