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Arnab Das

University of Wisconsin-Madison

975 University Avenue

Madison, WI 53706

United States

  • University of Wisconsin-Madison

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Charge redistribution at metal–ZrO2 interfaces: A combined DFT and continuum electrostatic study

Number of pages: 35 Posted: 13 Feb 2026
Ximeng Wang, Yongfeng Zhang, Dmitry Skachkov, Arnab Das, Junliang Liu, Alex Kvit, Jennifer Choy and Adrien Couet
University of Wisconsin-Madison, University of Wisconsin-Madison - Department of Engineering Physics, University of Central Florida, University of Wisconsin-Madison, Florida State University, University of Wisconsin-Madison, University of Wisconsin-Madison and University of Wisconsin-Madison
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Abstract:

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metal-oxide interface, interfacial electrostatics, DFT simulation, Schottky barrier height (SBH)