UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

Band edge evolution of transparent Zn M2III O4 (MIII=Co, Rh, Ir) spinels

Wahila, MJ; Lebens-Higgins, ZW; Jackson, AJ; Scanlon, DO; Lee, TL; Zhang, J; Zhang, KHL; (2019) Band edge evolution of transparent Zn M2III O4 (MIII=Co, Rh, Ir) spinels. Physical Review B , 100 (8) , Article 085126. 10.1103/PhysRevB.100.085126. Green open access

[img]
Preview
Text
Scanlon_Band edge evolution of transparent Zn M₂^{III}O₄ (M^{III} = Co, Rh, Ir) spinels_VoR.pdf - Published version

Download (1MB) | Preview

Abstract

ZnMIII 2 O4 (MIII = Co, Rh, Ir) spinels have been recently identified as promising p-type semiconductors for transparent electronics. However, discrepancies exist in the literature regarding their fundamental optoelectronic properties. In this paper, the electronic structures of these spinels are directly investigated using soft/hard x-ray photoelectron and x-ray absorption spectroscopies in conjunction with density functional theory calculations. In contrast to previous results, ZnCo2O4 is found to have a small electronic band gap with forbidden optical transitions between the true band edges, allowing for both bipolar doping and high optical transparency. Furthermore, increased d-d splitting combined with a concomitant lowering of Zn s/p conduction states is found to result in a ZnCo2O4 (ZCO) < ZnRh2O4 (ZRO) ≈ ZnIr2O4 (ZIO) band gap trend, finally resolving long-standing discrepancies in the literature.

Type: Article
Title: Band edge evolution of transparent Zn M2III O4 (MIII=Co, Rh, Ir) spinels
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevB.100.085126
Publisher version: https://doi.org/10.1103/PhysRevB.100.085126
Language: English
Additional information: This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions.
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10082852
Downloads since deposit
2Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item