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Title: Electronic Band Structure of In-Plane Ferroelectric van der Waals β'-In2Se3

Journal Article · · ACS Applied Electronic Materials

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.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1603608
Journal Information:
ACS Applied Electronic Materials, Vol. 2, Issue 1; ISSN 2637-6113
Publisher:
ACS PublicationsCopyright Statement
Country of Publication:
United States
Language:
English

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