%0 Journal Article %1 Hofer_2026 %A Hofer, Maximilian %A Fuchs, Christopher %A Siebert, Moritz %A Berger, Christian %A Fürst, Lena %A Stehno, Martin P. %A Schreyeck, Steffen %A Buhmann, Hartmut %A Kießling, Tobias %A Beugeling, Wouter %A Molenkamp, Laurens W. %D 2026 %I American Chemical Society (ACS) %J Nano Letters %K myown qt %N 9 %P 3042–3048 %R 10.1021/acs.nanolett.5c05762 %T Self-Consistent Electrostatic Modeling of Gated Narrow-Gap Topological Insulators %V 26 %X Even small electrostatic potentials can dramatically influence the band structure of narrow-gap semiconductors. A quantitative understanding often necessitates a self-consistent Hartree approach. The valence and conduction band states strongly hybridize and/or cross in these systems. This results in failure of the standard effective-mass theory, which relies on a clear distinction between electrons and holes and assumes a flat charge carrier distribution at the charge neutrality point. We show that the alternative full-band envelope-function approach Andlauer and Vogl Phys. Rev. B, 2009, 80, 035304, which we have implemented into the open-source band structure software package kdotpy Beugeling et al. SciPost Phys. Codebases, 2025, 47, gives numerically stable and quantitatively accurate results where the conventional method fails. We find excellent agreement in modeling the experimental subband density evolution with top-gate voltage in thick (26 nm–107 nm), topologically inverted HgTe quantum wells. We expect our openly available implementation to greatly benefit the investigation of narrow-, broken-, and inverted-gap materials.

@article{Hofer_2026, abstract = {Even small electrostatic potentials can dramatically influence the band structure of narrow-gap semiconductors. A quantitative understanding often necessitates a self-consistent Hartree approach. The valence and conduction band states strongly hybridize and/or cross in these systems. This results in failure of the standard effective-mass theory, which relies on a clear distinction between electrons and holes and assumes a flat charge carrier distribution at the charge neutrality point. We show that the alternative full-band envelope-function approach Andlauer and Vogl Phys. Rev. B, 2009, 80, 035304, which we have implemented into the open-source band structure software package kdotpy Beugeling et al. SciPost Phys. Codebases, 2025, 47, gives numerically stable and quantitatively accurate results where the conventional method fails. We find excellent agreement in modeling the experimental subband density evolution with top-gate voltage in thick (26 nm–107 nm), topologically inverted HgTe quantum wells. We expect our openly available implementation to greatly benefit the investigation of narrow-, broken-, and inverted-gap materials.}, added-at = {2026-07-08T12:16:56.000+0200}, author = {Hofer, Maximilian and Fuchs, Christopher and Siebert, Moritz and Berger, Christian and Fürst, Lena and Stehno, Martin P. and Schreyeck, Steffen and Buhmann, Hartmut and Kießling, Tobias and Beugeling, Wouter and Molenkamp, Laurens W.}, biburl = {https://www.bibsonomy.org/bibtex/2622d9c080736f0b1324927c36b47207c/ep3qt}, doi = {10.1021/acs.nanolett.5c05762}, interhash = {181c52ee00544bcdd1264594286f1d8a}, intrahash = {622d9c080736f0b1324927c36b47207c}, issn = {1530-6992}, journal = {Nano Letters}, keywords = {myown qt}, month = {02}, number = 9, pages = {3042–3048}, publisher = {American Chemical Society (ACS)}, timestamp = {2026-07-08T12:16:56.000+0200}, title = {Self-Consistent Electrostatic Modeling of Gated Narrow-Gap Topological Insulators}, volume = 26, year = 2026 }