Strand, J;
Kaviani, M;
Gao, DZ;
El-Sayed, A-M;
Afanas'ev, VV;
Shluger, AL;
(2018)
Intrinsic Charge Trapping in Amorphous Oxide Films: Status and Challenges.
Journal of Physics: Condensed Matter
, 30
(23)
, Article 233001. 10.1088/1361-648X/aac005.
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Abstract
We review the current understanding of intrinsic electron and hole trapping in insulating amorphous oxide films on semiconductor and metal substrates. The experimental and theoretical evidences are provided for the existence of intrinsic deep electron and hole trap states caused by the disorder of amorphous metal oxide films. We start from presenting the results for amorphous (a) HfO<sub>2</sub>, chosen due to the availability of highest purity amorphous films, which is vital for studying their intrinsic electronic properties. Exhaustive photo-depopulation spectroscopy (EPDS) measurements and theoretical calculations using density functional theory (DFT) shed light on the atomic nature of electronic gap states responsible for deep electron trapping observed in a-HfO<sub>2</sub>. We review theoretical methods used for creating models of amorphous structures and electronic structure calculations of amorphous oxides and outline some of the challenges in modelling defects in amorphous materials. We then discuss theoretical models of electron polarons and bi-polarons in a-HfO<sub>2</sub> and demonstrate that these intrinsic states originate from low-coordinated ions and elongated metal-oxygen bonds in the amorphous oxide network. Similarly, holes can be captured at under-coordinated O sites. We then discuss electron and hole trapping in other amorphous oxides, such as a-SiO<sub>2</sub>, a-Al<sub>2</sub>O<sub>3</sub>, a-TiO<sub>2</sub>. We propose that the presence of low-coordinated ions in amorphous oxides with electron states of significant p and d character near the conduction band minimum (CBM) can lead to electron trapping and that deep hole trapping should be common to all amorphous oxides. Finally, we demonstrate that bi-electron trapping in a-HfO<sub>2</sub> and a-SiO<sub>2</sub> weakens Hf(Si)-O bonds and significantly reduces barriers for forming Frenkel defects, neutral O vacancies and O<sup>2-</sup> ions in these materials. These results should be useful for better understanding of electronic properties and structural evolution of thin amorphous films under carrier injection conditions.
| Type: | Article |
|---|---|
| Title: | Intrinsic Charge Trapping in Amorphous Oxide Films: Status and Challenges |
| Location: | England |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1361-648X/aac005 |
| Publisher version: | https://doi.org/10.1088/1361-648X/aac005 |
| Language: | English |
| Additional information: | Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence (http://creativecommons.org/licenses/by/3.0). Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
| Keywords: | Frenkel defects, ab initio calculations, amorphous oxides, charge trapping |
| 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 Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10048818 |
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