Band gap and electronic structure of MgSiN2 determined using soft X‐ray spectroscopy and density functional theory. Issue 4 (12th March 2015)

• Record Type: Journal Article
• Authors: de Boer, Tristan; Boyko, Teak D.; Braun, Cordula; Schnick, Wolfgang; Moewes, Alexander
• Is Part Of: Physica status solidi. Volume 9:Issue 4(2015:Apr.)
• Page Start: 250
• Page End: 254
• Publication Date: 2015-03-12
• Subjects: MgSiN2 -- soft X‐ray absorption and emission spectroscopy -- density functional theory -- band gap -- nitridosilicates; Solid state physics -- Periodicals; 530.4105
• DOI: 10.1002/pssr.201510043
• Languages: English
• ISSNs: 1862-6254

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) Abstract : MgSiN2 and related materials have thermal and mechanical properties that enable a wide range of applications, particularly as a phosphor host lattice for use in lighting applications. In this Letter, the electronic structure of MgSiN2 is obtained experimentally and theoretically, enabling more effective use of this material in technical applications.