Nanoscale Investigation of Defects and Oxidation of HfSe2

Qirong Yao, Lijie Zhang, Pantelis Bampoulis (Corresponding Author), Harold J.W. Zandvliet (Corresponding Author)

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Abstract

HfSe2 is a very good candidate for a transition metal dichalcogenide-based field-effect transistor owing to its moderate band gap of about 1 eV and its high-κ dielectric native oxide. Unfortunately, the experimentally determined charge carrier mobility is about 3 orders of magnitude lower than the theoretically predicted value. This strong deviation calls for a detailed investigation of the physical and electronic properties of HfSe2. Here, we have studied the structure, density, and density of states of several types of defects that are abundant on the HfSe2 surface using scanning tunneling microscopy and spectroscopy. Compared to MoS2 and WSe2, HfSe2 exhibits similar type of defects, albeit with a substantially higher density of 9 × 1011 cm-2. The most abundant defect is a subsurface defect, which shows up as a dim feature in scanning tunneling microscopy images. These dim dark defects have a substantially larger band gap (1.25 eV) than the pristine surface (1 eV), suggesting a substitution of the Hf atom by another atom. The high density of defects on the HfSe2 surface leads to very low Schottky barrier heights. Conductive atomic force microscopy measurements reveal a very small dependence of the Schottky barrier height on the work function of the metals, suggesting a strong Fermi-level pinning. We attribute the observed Fermi-level pinning (pinning factor ∼0.1) to surface distortions and Se/Hf defects. In addition, we have also studied the HfSe2 surface after the exposure to air by scanning tunneling microscopy and conductive atomic force microscopy. Partly oxidized layers with band gaps of 2 eV and Schottky barrier heights of ∼0.6 eV were readily found on the surface. Our experiments reveal that HfSe2 is very air-sensitive, implying that capping or encapsulating of HfSe2, in order to protect it against oxidation, is a necessity for technological applications.

Original languageEnglish
Pages (from-to)25498-25505
Number of pages8
JournalJournal of physical chemistry C
Volume122
Issue number44
DOIs
Publication statusPublished - 8 Nov 2018

Fingerprint

Oxidation
Defects
oxidation
defects
Scanning tunneling microscopy
scanning tunneling microscopy
Energy gap
Fermi level
Atomic force microscopy
atomic force microscopy
surface distortion
Atoms
encapsulating
Carrier mobility
air
Field effect transistors
Air
carrier mobility
Charge carriers
Electronic properties

Keywords

  • UT-Hybrid-D

Cite this

Yao, Qirong ; Zhang, Lijie ; Bampoulis, Pantelis ; Zandvliet, Harold J.W. / Nanoscale Investigation of Defects and Oxidation of HfSe2. In: Journal of physical chemistry C. 2018 ; Vol. 122, No. 44. pp. 25498-25505.
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abstract = "HfSe2 is a very good candidate for a transition metal dichalcogenide-based field-effect transistor owing to its moderate band gap of about 1 eV and its high-κ dielectric native oxide. Unfortunately, the experimentally determined charge carrier mobility is about 3 orders of magnitude lower than the theoretically predicted value. This strong deviation calls for a detailed investigation of the physical and electronic properties of HfSe2. Here, we have studied the structure, density, and density of states of several types of defects that are abundant on the HfSe2 surface using scanning tunneling microscopy and spectroscopy. Compared to MoS2 and WSe2, HfSe2 exhibits similar type of defects, albeit with a substantially higher density of 9 × 1011 cm-2. The most abundant defect is a subsurface defect, which shows up as a dim feature in scanning tunneling microscopy images. These dim dark defects have a substantially larger band gap (1.25 eV) than the pristine surface (1 eV), suggesting a substitution of the Hf atom by another atom. The high density of defects on the HfSe2 surface leads to very low Schottky barrier heights. Conductive atomic force microscopy measurements reveal a very small dependence of the Schottky barrier height on the work function of the metals, suggesting a strong Fermi-level pinning. We attribute the observed Fermi-level pinning (pinning factor ∼0.1) to surface distortions and Se/Hf defects. In addition, we have also studied the HfSe2 surface after the exposure to air by scanning tunneling microscopy and conductive atomic force microscopy. Partly oxidized layers with band gaps of 2 eV and Schottky barrier heights of ∼0.6 eV were readily found on the surface. Our experiments reveal that HfSe2 is very air-sensitive, implying that capping or encapsulating of HfSe2, in order to protect it against oxidation, is a necessity for technological applications.",
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Nanoscale Investigation of Defects and Oxidation of HfSe2. / Yao, Qirong; Zhang, Lijie; Bampoulis, Pantelis (Corresponding Author); Zandvliet, Harold J.W. (Corresponding Author).

In: Journal of physical chemistry C, Vol. 122, No. 44, 08.11.2018, p. 25498-25505.

Research output: Contribution to journalArticleAcademicpeer-review

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