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Title: Polar Metals by Geometric Design

Gauss's law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions(1). Quantum physics supports this view(2), demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals(3)-it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases(4). Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO(3) perovskite nickelates using a strategy based on atomic-scale control of inversion-preserving (centric) displacements(5). We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra-the structural signatures of perovskites-owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported(6-10), non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will providemore » novel avenues for realizing new multifunctional materials with unusual coexisting properties.« less
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Publication Date:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Nature (London); Journal Volume: 533; Journal Issue: 7601
Nature Publishing Group
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division; National Science Foundation (NSF); U.S. Army Research Laboratory - U.S. Army Research Office (ARO)
Country of Publication:
United States