Electronic Band Structure of In-Plane Ferroelectric van der Waals β'-In2Se3
Abstract
Layered indium selenides (In2Se3) have recently been discovered to host robust out-of-plane and in-plane ferroelectricity in the α- and β'-phases, respectively. Here, we utilize angle-resolved photoelectron spectroscopy to directly measure the electronic band structure of β'-In2Se3 and compare to hybrid density functional theory (DFT) calculations. In agreement with DFT, we find the band structure is highly two-dimensional, with negligible dispersion along the c-axis. Because of n-type doping we can observe the conduction band minima and directly measure the minimum indirect (0.97 eV) and direct (1.46 eV) bandgaps. We find the Fermi surface in the conduction band is characterized by anisotropic electron pockets with sharp in-plane dispersion about the $$\bar{M}$$ points, yielding effective masses of 0.21m0 along $$\bar{KM}$$ and 0.33m0 along $$\bar{ΓM}$$. The measured band structure is well supported by hybrid density functional theory calculations. The highly two-dimensional (2D) band structure with moderate bandgap and small effective mass suggests that β'-In2Se3 is a potentially useful van der Waals semiconductor. This, together with its ferroelectricity makes it a viable material for high-mobility ferroelectric–photovoltaic devices, with applications in nonvolatile memory switching and renewable energy technologies.
- Authors:
-
- Monash Univ., Clayton, Victoria (Australia)
- Monash Univ., Clayton, Victoria (Australia); Australian Synchrotron, Clayton, Victoria (Australia)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
- La Trobe Univ., Bundoora, Victoria (Australia)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1603608
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- ACS Applied Electronic Materials
- Additional Journal Information:
- Journal Volume: 2; Journal Issue: 1; Journal ID: ISSN 2637-6113
- Publisher:
- ACS Publications
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; ferroelectric; electronic band structure; indium selenide; van der Waals; infrared bandgap; optoelectronics; ARPES
Citation Formats
Collins, James L., Wang, Chutian, Tadich, Anton, Yin, Yuefeng, Zheng, Changxi, Hellerstedt, Jack, Grubišić-Čabo, Antonija, Tang, Shujie, Mo, Sung-Kwan, Riley, John, Huwald, Eric, Medhekar, Nikhil V., Fuhrer, Michael S., and Edmonds, Mark T. Electronic Band Structure of In-Plane Ferroelectric van der Waals β'-In2Se3. United States: N. p., 2020.
Web. doi:10.1021/acsaelm.9b00699.
Collins, James L., Wang, Chutian, Tadich, Anton, Yin, Yuefeng, Zheng, Changxi, Hellerstedt, Jack, Grubišić-Čabo, Antonija, Tang, Shujie, Mo, Sung-Kwan, Riley, John, Huwald, Eric, Medhekar, Nikhil V., Fuhrer, Michael S., & Edmonds, Mark T. Electronic Band Structure of In-Plane Ferroelectric van der Waals β'-In2Se3. United States. https://doi.org/10.1021/acsaelm.9b00699
Collins, James L., Wang, Chutian, Tadich, Anton, Yin, Yuefeng, Zheng, Changxi, Hellerstedt, Jack, Grubišić-Čabo, Antonija, Tang, Shujie, Mo, Sung-Kwan, Riley, John, Huwald, Eric, Medhekar, Nikhil V., Fuhrer, Michael S., and Edmonds, Mark T. 2020.
"Electronic Band Structure of In-Plane Ferroelectric van der Waals β'-In2Se3". United States. https://doi.org/10.1021/acsaelm.9b00699. https://www.osti.gov/servlets/purl/1603608.
@article{osti_1603608,
title = {Electronic Band Structure of In-Plane Ferroelectric van der Waals β'-In2Se3},
author = {Collins, James L. and Wang, Chutian and Tadich, Anton and Yin, Yuefeng and Zheng, Changxi and Hellerstedt, Jack and Grubišić-Čabo, Antonija and Tang, Shujie and Mo, Sung-Kwan and Riley, John and Huwald, Eric and Medhekar, Nikhil V. and Fuhrer, Michael S. and Edmonds, Mark T.},
abstractNote = {Layered indium selenides (In2Se3) have recently been discovered to host robust out-of-plane and in-plane ferroelectricity in the α- and β'-phases, respectively. Here, we utilize angle-resolved photoelectron spectroscopy to directly measure the electronic band structure of β'-In2Se3 and compare to hybrid density functional theory (DFT) calculations. In agreement with DFT, we find the band structure is highly two-dimensional, with negligible dispersion along the c-axis. Because of n-type doping we can observe the conduction band minima and directly measure the minimum indirect (0.97 eV) and direct (1.46 eV) bandgaps. We find the Fermi surface in the conduction band is characterized by anisotropic electron pockets with sharp in-plane dispersion about the $\bar{M}$ points, yielding effective masses of 0.21m0 along $\bar{KM}$ and 0.33m0 along $\bar{ΓM}$. The measured band structure is well supported by hybrid density functional theory calculations. The highly two-dimensional (2D) band structure with moderate bandgap and small effective mass suggests that β'-In2Se3 is a potentially useful van der Waals semiconductor. This, together with its ferroelectricity makes it a viable material for high-mobility ferroelectric–photovoltaic devices, with applications in nonvolatile memory switching and renewable energy technologies.},
doi = {10.1021/acsaelm.9b00699},
url = {https://www.osti.gov/biblio/1603608},
journal = {ACS Applied Electronic Materials},
issn = {2637-6113},
number = 1,
volume = 2,
place = {United States},
year = {Wed Jan 15 00:00:00 EST 2020},
month = {Wed Jan 15 00:00:00 EST 2020}
}
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