Band gap and electronic structure of MgSiN2 determined using soft X‐ray spectroscopy and density functional theory
Source abstract
Abstract
We present a study of MgSiN2 using soft X‐ray absorption and emission spectroscopy which directly probe the partial density of states. MgSiN2 is new as a host lattice for luminescence materials and used in phosphor‐converted light‐emitting diodes. We compare our measurements to our full potential, all electron density funtional theory calculations. We find excellent agreement between experiment and theory and the band gap of MgSiN2 is measured to be 5.6 ± 0.2 eV in agreement with our calculated value of 5.72 eV. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
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Research context
OpenAlex topics: Electronic and Structural Properties of Oxides · Inorganic Chemistry and Materials · Luminescence Properties of Advanced Materials
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Affiliations
Department of Physics and Engineering Physics University of Saskatchewan 116 Science Place SK, S7N 5E2 Saskatoon Canada
Department of Chemistry University of Munich (LMU) Butenandtstraße 5–13 81377 Munich Germany
Institute for Applied Materials – Energy Storage Systems (IAM‐ESS) Karlsruhe Institute of Technology Hermann‐von‐Helmholtz‐Platz 1 76344 Eggenstein‐Leopoldshafen Germany
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