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.
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 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 |
Archive Staff Only
View Item |