{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T23:08:34Z","timestamp":1788995314252,"version":"build-2803163510"},"reference-count":0,"publisher":"IOP Publishing","license":[{"start":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T00:00:00Z","timestamp":1788912000000},"content-version":"am","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T00:00:00Z","timestamp":1788912000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/iopscience.iop.org\/info\/page\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys.: Condens. Matter"],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Charged ferroelectric domain walls in two-dimensional semiconductors provide a route to rewritable&amp;#xD;one-dimensional electronic channels, but the relation between atomic reconstruction and transverse&amp;#xD;confinement is not transparent from either macroscopic electrostatics or first-principles calculations&amp;#xD;alone. Motivated by recent atomic-resolution studies of \u03b1-In2Se3, where head-to-head walls contain&amp;#xD;a nonpolar \u03b2-like intercalated layer whereas tail-to-tail walls remain atomically abrupt, we develop&amp;#xD;a material-scale effective-band-edge theory for transverse domain-wall bound states. The material&amp;#xD;input is used as deliberately broad consistency windows, not as a direct fit to digitized density-&amp;#xD;functional or spectroscopic band-edge profiles. The smooth sector is exactly solvable: a lowest-order&amp;#xD;local band-edge ansatz reduces neutral walls to the P\u00f6schl\u2013Teller class and charged walls to the&amp;#xD;asymmetric Rosen\u2013Morse class. This yields closed-form spectra, wave-function skewness, and exact&amp;#xD;delocalization boundaries. The same solution gives a useful constraint on smooth confinement:&amp;#xD;states near the localization boundary collapse onto the lower continuum edge, so smooth band&amp;#xD;bending alone does not, within the material windows considered here, simultaneously reproduce&amp;#xD;the HH depth, width, and center locking. We then add the minimal HH structural correction,&amp;#xD;represented by a central short-range \u03b2-layer lowering, and analyze both its \u03b4-layer limit and finite-&amp;#xD;width implementations. Material-scale anchoring to effective masses, nanometer-scale wall widths,&amp;#xD;and structural energy scales relevant to \u03b1-In2Se3 supports a branch-selective picture: the abrupt&amp;#xD;TT wall is naturally described as a shallow hole-like effective band-bending channel, whereas the&amp;#xD;reconstructed HH wall is described by an electron-like smooth baseline supplemented by a central&amp;#xD;\u03b2-layer lowering. The theory provides a compact intermediate description connecting atomistic&amp;#xD;charged-wall reconstruction to mesoscopic one-dimensional confinement.<\/jats:p>","DOI":"10.1088\/1361-648x\/aea510","type":"journal-article","created":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T22:54:47Z","timestamp":1788994487000},"source":"Crossref","is-referenced-by-count":0,"title":["Material-scale effective-band-edge theory of charged-domain-wall bound states in \u03b1-In2Se3"],"prefix":"10.1088","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-7050-7736","authenticated-orcid":false,"given":"Ye","family":"Zhou","sequence":"first","affiliation":[{"name":"Australian National University"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2026,9,9]]},"container-title":["Journal of Physics: Condensed Matter"],"original-title":[],"link":[{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aea510","content-type":"text\/html","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aea510\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"text-mining"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aea510\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aea510\/pdf","content-type":"application\/pdf","content-version":"am","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,9]],"date-time":"2026-09-09T22:54:47Z","timestamp":1788994487000},"score":1,"resource":{"primary":{"URL":"https:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aea510"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,9]]},"references-count":0,"URL":"https:\/\/doi.org\/10.1088\/1361-648x\/aea510","relation":{},"ISSN":["0953-8984","1361-648X"],"issn-type":[{"value":"0953-8984","type":"print"},{"value":"1361-648X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,9]]}}}