Pressure-dependent modifications in the optical and electronic properties of Fe(IO3)3: the role of Fe 3d and I 5p lone

Pressure-dependent modifications in the optical and electronic properties of Fe(IO3)3: the role of Fe 3d and I 5p lone–pair electrons

Published:2021 Issue:22 Volume:8 Page:4780-4790
ISSN:2052-1553
Container-title:Inorganic Chemistry Frontiers
language:en
Short-container-title:Inorg. Chem. Front.

Author:

Liang Akun¹^ORCID,Rodriguez-Hernandez Placida²^ORCID,Muñoz Alfonso²^ORCID,Rahman Saqib³⁴,Segura Alfredo¹,Errandonea Daniel¹^ORCID

Affiliation:

1. Departamento de Física Aplicada-ICMUV-MALTA Consolider Team, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot, Valencia, Spain

2. Departamento de Física and Instituto de Materiales y Nanotecnología, MALTA Consolider Team, Universidad de La Laguna, 38206 La Laguna, Tenerife, Spain

3. Center for High Pressure Science (CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, Hebei 066004, China

4. Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China

Abstract

The electronic and transport properties of Fe(IO3)3 have been characterized under compression. A nice correlation of bandgaps of iodates to orbital configuration is proposed giving an explanation for the 2.1 eV bandgap of Fe(IO3)3.

Funder

Ministerio de Ciencia, Innovación y Universidades

Generalitat Valenciana

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/QI/D1QI00870F

Reference58 articles.

1. Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)

2. BaNbO(IO3)5: A New Polar Material with a Very Large SHG Response