skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
 [1];  [1];  [2];  [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [3]; ORCiD logo [3];  [4];  [4]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Monash Univ., Clayton, Victoria (Australia)
  2. Monash Univ., Clayton, Victoria (Australia); Australian Synchrotron, Clayton, Victoria (Australia)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  4. 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}
}

Works referenced in this record:

High electron mobility, quantum Hall effect and anomalous optical response in atomically thin InSe
journal, November 2016


Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
journal, March 2013


Ultrahigh Conductivity in Two-Dimensional InSe via Remote Doping at Room Temperature
journal, June 2018


Recent development of two-dimensional transition metal dichalcogenides and their applications
journal, April 2017


A ferroelectric semiconductor field-effect transistor
journal, December 2019


Phase transitions in In2Se3 as studied by electron microscopy and electron diffraction
journal, July 1975


Some Electrical and Optical Properties of In2Se3
journal, July 1971


Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials
journal, April 2017


Room temperature in-plane ferroelectricity in van der Waals In 2 Se 3
journal, July 2018


Colloidal Monolayer β-In 2 Se 3 Nanosheets with High Photoresponsivity
journal, February 2017


Two-dimensional multiferroics in monolayer group IV monochalcogenides
journal, January 2017


Thin-film ferroelectric materials and their applications
journal, November 2016


Large disparity between optical and fundamental band gaps in layered In 2 Se 3
journal, October 2018


Quantum confinement and photoresponsivity of β -In 2 Se 3 nanosheets grown by physical vapour transport
journal, June 2016


Thickness-Dependent Dielectric Constant of Few-Layer In 2 Se 3 Nanoflakes
journal, November 2015


The direct-to-indirect band gap crossover in two-dimensional van der Waals Indium Selenide crystals
journal, December 2016


Two-dimensional semiconductors with possible high room temperature mobility
journal, September 2014


Band Gap Modulated by Electronic Superlattice in Blue Phosphorene
journal, April 2018


High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
journal, July 2014


Achieving Ultrahigh Carrier Mobility in Two-Dimensional Hole Gas of Black Phosphorus
journal, December 2016


First results from a second generation toroidal electron spectrometer
journal, June 2005


Quantum spin Hall state in monolayer 1T'-WTe2
journal, June 2017


Electrical Characterization of In2Se3 Single Crystals
journal, August 1991


Controlled Growth of Atomically Thin In 2 Se 3 Flakes by van der Waals Epitaxy
journal, August 2013


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Generalized Gradient Approximation Made Simple
journal, October 1996


Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006


Colloidal Monolayer β-In 2 Se 3 Nanosheets with High Photoresponsivity
journal, February 2017