Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 12, Issue 44, Pages 10777-10782Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.1c02360
Keywords
-
Categories
Funding
- Indonesian Endowment Fund for Education (LPDP)
- Indonesian Science Fund (DIPI) through the International Collaboration RISPRO Funding Program [RISPRO/KI/B1/KOM/11/4542/2/2020]
- PMDSU Program of the Ministry of Education, Culture, Research and Technology of Republic of Indonesia
- Institute of Research and Community Service (LPPM) of Institut Teknologi Bandung (Sandwich Program) by World Class Research of Institut Teknologi Bandung
- RIKEN International Program Associate (IPA)
- Japan Society for the Promotion of Science (JSPS) [JP21K04815]
Ask authors/readers for more resources
The study found that a single iron vacancy in hexagonal iron sulfide (h-FeS) could induce a midgap state, explaining the low experimental band gap value observed. A semiconductor-to-metal transition was observed in h-FeS with higher iron vacancy concentration showing better conductivity. Iron vacancies induced a magnetic moment on antiferromagnetic h-FeS, which could benefit the tuning of material's magnetic properties.
Hexagonal iron sulfide (h-FeS) offers huge potential in the development of metal-insulator transition devices. A stoichiometric h-FeS is hard to obtain from its natural iron deficiency. The effect of this iron deficiency on the electronic properties is still obscure. Here, we performed a charged point defect calculation in h-FeS. We found that the most favorable point defect in h-FeS can be tuned with a proper synthesis environment. The single iron vacancy could induce a midgap state with 0.05 eV energy gap, which explains the h-FeS low experimental band gap value. Furthermore, a semiconductor-to-metal transition is observed in h-FeS with higher iron vacancy concentration showing better conductivity from the excess charges. We also observe that iron vacancies will induce a magnetic moment on E r the antiferromagnetic h-FeS. The findings that the induced MIT behavior and magnetic moment can be tuned by defect concentration may benefit the development of spintronics devices.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available