{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,24]],"date-time":"2025-10-24T12:34:02Z","timestamp":1761309242141},"reference-count":50,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2017,2,20]],"date-time":"2017-02-20T00:00:00Z","timestamp":1487548800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2017,2,20]],"date-time":"2017-02-20T00:00:00Z","timestamp":1487548800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Sci Rep"],"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The realization of a quantum spin Hall (QSH) insulator working at high temperature is of both scientific and technical interest since it supports spin-polarized and dssipationless edge states. Based on first-principle calculations, we predicted that the two-dimensional (2D) binary compound of lead and tin (PbSn) in a buckled honeycomb framework can be tuned into a topological insulator with huge a band gap and structural stability via hydrogenation or growth on special substrates. This heavy-element-based structure is sufficiently ductile to survive the 18\u2009ps molecular dynamics (MD) annealing to 400\u2009K, and the band gap opened by strong spin-orbital-coupling (SOC) is as large as 0.7\u2009eV. These characteristics indicate that hydrogenated PbSn (H-PbSn) is an excellent platform for QSH realization at high temperature.<\/jats:p>","DOI":"10.1038\/srep42410","type":"journal-article","created":{"date-parts":[[2017,2,20]],"date-time":"2017-02-20T10:29:47Z","timestamp":1487586587000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["New type of quantum spin Hall insulators in hydrogenated PbSn thin films"],"prefix":"10.1038","volume":"7","author":[{"given":"Liang","family":"Liu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hongwei","family":"Qin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jifan","family":"Hu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2017,2,20]]},"reference":[{"key":"BFsrep42410_CR1","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1103\/RevModPhys.82.3045","volume":"82","author":"MZ Hasan","year":"2010","unstructured":"Hasan, M. Z. & Kane, C. L. Colloquium: Topological insulators. Reviews of Modern Physics 82, 4 (2010).","journal-title":"Reviews of Modern Physics"},{"key":"BFsrep42410_CR2","first-page":"4","volume":"83","author":"X-L Qi","year":"2011","unstructured":"Qi, X.-L. & Zhang, S.-C. Topological insulators and superconductors. Reviews of Modern Physics 83, 4 (2011).","journal-title":"Reviews of Modern Physics"},{"key":"BFsrep42410_CR3","doi-asserted-by":"crossref","first-page":"5806","DOI":"10.1126\/science.1133734","volume":"314","author":"BA Bernevig","year":"2006","unstructured":"Bernevig, B. A., Hughes, T. L. & Zhang, S. C. Quantum spin Hall effect and topological phase transition in HgTe quantum wells. Science 314, 5806 (2006).","journal-title":"Science"},{"key":"BFsrep42410_CR4","first-page":"10","volume":"96","author":"BA Bernevig","year":"2006","unstructured":"Bernevig, B. A. & Zhang, S. C. Quantum spin Hall effect. Phys Rev Lett 96, 10 (2006).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR5","first-page":"6","volume":"5","author":"H Zhang","year":"2009","unstructured":"Zhang, H. et al. Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface. Nature Physics 5, 6 (2009).","journal-title":"Nature Physics"},{"key":"BFsrep42410_CR6","first-page":"5987","volume":"329","author":"R Yu","year":"2010","unstructured":"Yu, R. et al. Quantized anomalous Hall effect in magnetic topological insulators. Science 329, 5987 (2010).","journal-title":"Science"},{"key":"BFsrep42410_CR7","first-page":"25","volume":"113","author":"SC Wu","year":"2014","unstructured":"Wu, S. C., Shan, G. & Yan, B. Prediction of near-room-temperature quantum anomalous Hall effect on honeycomb materials. Phys Rev Lett 113, 25 (2014).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR8","first-page":"18","volume":"115","author":"G Xu","year":"2015","unstructured":"Xu, G., Lian, B. & Zhang, S. C. Intrinsic Quantum Anomalous Hall Effect in the Kagome Lattice Cs_{2}LiMn_{3}F_{12}. Phys Rev Lett 115, 18 (2015).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR9","first-page":"22","volume":"95","author":"CL Kane","year":"2005","unstructured":"Kane, C. L. & Mele, E. J. Quantum spin Hall effect in graphene. Phys Rev Lett 95, 22 (2005).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR10","first-page":"19","volume":"84","author":"C-C Liu","year":"2011","unstructured":"Liu, C.-C., Jiang, H. & Yao, Y. Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin. Physical Review B 84, 19 (2011).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR11","unstructured":"Xu, S. Y. et al. Observation of a topological crystalline insulator phase and topological phase transition in Pb(1\u2212x)Sn(x)Te. Nature communications 3 (2012)."},{"key":"BFsrep42410_CR12","first-page":"19","volume":"110","author":"ZF Wang","year":"2013","unstructured":"Wang, Z. F., Liu, Z. & Liu, F. Quantum anomalous Hall effect in 2D organic topological insulators. Phys Rev Lett 110, 19 (2013).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR13","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1103\/PhysRevLett.111.157205","volume":"111","author":"A Barfuss","year":"2013","unstructured":"Barfuss, A. et al. Elemental topological insulator with tunable Fermi level: strained alpha-Sn on InSb(001). Phys Rev Lett 111, 15 (2013).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR14","doi-asserted-by":"crossref","first-page":"6215","DOI":"10.1126\/science.1256815","volume":"346","author":"X Qian","year":"2014","unstructured":"Qian, X., Liu, J., Fu, L. & Li, J. Quantum spin Hall effect in two-dimensional transition metal dichalcogenides. Science 346, 6215 (2014).","journal-title":"Science"},{"key":"BFsrep42410_CR15","first-page":"11","volume":"89","author":"C Si","year":"2014","unstructured":"Si, C. et al. Functionalized germanene as a prototype of large-gap two-dimensional topological insulators. Physical Review B 89, 11 (2014).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR16","first-page":"12","volume":"90","author":"P Tang","year":"2014","unstructured":"Tang, P. et al. Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator. Physical Review B 90, 12 (2014).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR17","doi-asserted-by":"crossref","unstructured":"Yao, L. Z. et al. Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si (111) Substrate. Scientific reports 5, (2015).","DOI":"10.1038\/srep15463"},{"key":"BFsrep42410_CR18","first-page":"45","volume":"7","author":"H Zhang","year":"2015","unstructured":"Zhang, H., Ma, Y. & Chen, Z. Quantum spin hall insulators in strain-modified arsenene. Nanoscale 7, 45 (2015).","journal-title":"Nanoscale"},{"key":"BFsrep42410_CR19","first-page":"2","volume":"107","author":"S Zhang","year":"2015","unstructured":"Zhang, S., Hu, Y., Hu, Z., Cai, B. & Zeng, H. Hydrogenated arsenenes as planar magnet and Dirac material. Applied Physics Letters 107, 2 (2015).","journal-title":"Applied Physics Letters"},{"key":"BFsrep42410_CR20","doi-asserted-by":"crossref","unstructured":"Zhao, M., Chen, X., Li, L. & Zhang, X. Driving a GaAs film to a large-gap topological insulator by tensile strain. Scientific reports 5, (2015).","DOI":"10.1038\/srep08441"},{"key":"BFsrep42410_CR21","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1186\/s11671-019-3236-z","volume":"15","author":"J Liu","year":"2015","unstructured":"Liu, J., Qian, X. & Fu, L. Crystal field effect induced topological crystalline insulators in monolayer IV-VI semiconductors. Nano Lett 15, 4 (2015).","journal-title":"Nano Lett"},{"key":"BFsrep42410_CR22","first-page":"13","volume":"111","author":"Y Xu","year":"2013","unstructured":"Xu, Y. et al. Large-Gap Quantum Spin Hall Insulators in Tin Films. Physical Review Letters 111, 13 (2013).","journal-title":"Physical Review Letters"},{"key":"BFsrep42410_CR23","first-page":"5","volume":"14","author":"FC Chuang","year":"2014","unstructured":"Chuang, F. C. et al. Prediction of large-gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi. Nano Lett 14, 5 (2014).","journal-title":"Nano Lett"},{"key":"BFsrep42410_CR24","first-page":"40","volume":"111","author":"M Zhou","year":"2014","unstructured":"Zhou, M. et al. Epitaxial growth of large-gap quantum spin Hall insulator on semiconductor surface. Proceedings of the National Academy of Sciences 111, 40 (2014).","journal-title":"Proceedings of the National Academy of Sciences"},{"key":"BFsrep42410_CR25","first-page":"8","volume":"14","author":"JJ Zhou","year":"2014","unstructured":"Zhou, J. J., Feng, W., Liu, C. C., Guan, S. & Yao, Y. Large-gap quantum spin Hall insulator in single layer bismuth monobromide Bi4Br4. Nano Lett 14, 8 (2014).","journal-title":"Nano Lett"},{"key":"BFsrep42410_CR26","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1103\/PhysRevX.4.011002","volume":"4","author":"H Weng","year":"2014","unstructured":"Weng, H., Dai, X. & Fang, Z. Transition-Metal PentatellurideZrTe5andHfTe5: A Paradigm for Large-Gap Quantum Spin Hall Insulators. Physical Review X 4, 1 (2014).","journal-title":"Physical Review X"},{"key":"BFsrep42410_CR27","first-page":"2","volume":"15","author":"L Li","year":"2015","unstructured":"Li, L., Zhang, X., Chen, X. & Zhao, M. Giant topological nontrivial band gaps in chloridized gallium bismuthide. Nano Lett 15, 2 (2015).","journal-title":"Nano Lett"},{"key":"BFsrep42410_CR28","doi-asserted-by":"crossref","unstructured":"Li, S. S. et al. Robust Room-Temperature Quantum Spin Hall Effect in Methyl-functionalized InBi honeycomb film. Scientific reports 6, (2016).","DOI":"10.1038\/srep23242"},{"key":"BFsrep42410_CR29","doi-asserted-by":"crossref","unstructured":"Padilha, J. E., Pontes, R. B., Schmidt, T. M., Miwa, R. H. & Fazzio, A. A new class of large band gap quantum spin hall insulators: 2D fluorinated group-IV binary compounds. Scientific reports 6, (2016).","DOI":"10.1038\/srep26123"},{"key":"BFsrep42410_CR30","doi-asserted-by":"crossref","unstructured":"Zhao, H. et al. Unexpected Giant-Gap Quantum Spin Hall Insulator in Chemically Decorated Plumbene Monolayer. Scientific reports 6, (2016).","DOI":"10.1038\/srep20152"},{"key":"BFsrep42410_CR31","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1103\/PhysRevLett.102.236804","volume":"102","author":"S Cahangirov","year":"2009","unstructured":"Cahangirov, S., Topsakal, M., Akturk, E., Sahin, H. & Ciraci, S. Two- and one-dimensional honeycomb structures of silicon and germanium. Phys Rev Lett 102, 23 (2009).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR32","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1103\/PhysRevB.80.155453","volume":"80","author":"H \u015eahin","year":"2009","unstructured":"\u015eahin, H. et al. Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations. Physical Review B 80, 15 (2009).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR33","first-page":"7","volume":"107","author":"CC Liu","year":"2011","unstructured":"Liu, C. C., Feng, W. & Yao, Y. Quantum spin Hall effect in silicene and two-dimensional germanium. Phys Rev Lett 107, 7 (2011).","journal-title":"Phys Rev Lett"},{"key":"BFsrep42410_CR34","first-page":"7","volume":"90","author":"G-F Zhang","year":"2014","unstructured":"Zhang, G.-F., Li, Y. & Wu, C. Honeycomb lattice with multiorbital structure: Topological and quantum anomalous Hall insulators with large gaps. Physical Review B 90, 7 (2014).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR35","first-page":"4","volume":"75","author":"Y Yao","year":"2007","unstructured":"Yao, Y., Ye, F., Qi, X.-L., Zhang, S.-C. & Fang, Z. Spin-orbit gap of graphene: First-principles calculations. Physical Review B 75, 4 (2007).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR36","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1103\/RevModPhys.81.109","volume":"81","author":"AH Castro Neto","year":"2009","unstructured":"Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S. & Geim, A. K. The electronic properties of graphene. Reviews of Modern Physics 81, 1 (2009).","journal-title":"Reviews of Modern Physics"},{"key":"BFsrep42410_CR37","first-page":"19","volume":"74","author":"L Fu","year":"2006","unstructured":"Fu, L. & Kane, C. L. Time reversal polarization and aZ2adiabatic spin pump. Physical Review B 74, 19 (2006).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR38","first-page":"4","volume":"76","author":"L Fu","year":"2007","unstructured":"Fu, L. & Kane, C. L. Topological insulators with inversion symmetry. Physical Review B 76, 4 (2007).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR39","first-page":"23","volume":"83","author":"AA Soluyanov","year":"2011","unstructured":"Soluyanov, A. A. & Vanderbilt, D. Computing topological invariants without inversion symmetry. Physical Review B 83, 23 (2011).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR40","first-page":"3","volume":"83","author":"AA Soluyanov","year":"2011","unstructured":"Soluyanov, A. A. & Vanderbilt, D. Wannier representation ofZ2topological insulators. Physical Review B 83, 3 (2011).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR41","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1103\/PhysRevB.56.12847","volume":"56","author":"N Marzari","year":"1997","unstructured":"Marzari, N. & Vanderbilt, D. Maximally localized generalized Wannier functions for composite energy bands. Physical Review B 56, 20 (1997).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR42","first-page":"4","volume":"100","author":"OV Yazyev","year":"2008","unstructured":"Yazyev, O. V. & Katsnelson, M. I. Magnetic Correlations at Graphene Edges: Basis for Novel Spintronics Devices. Physical Review Letters 100, 4 (2008).","journal-title":"Physical Review Letters"},{"key":"BFsrep42410_CR43","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1021\/nl080745j","volume":"8","author":"V Barone","year":"2008","unstructured":"Barone, V. & Peralta, J. E. Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties. Nano Letters 8, 8 (2008).","journal-title":"Nano Letters"},{"key":"BFsrep42410_CR44","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"PE Bl\u00f6chl","year":"1994","unstructured":"Bl\u00f6chl, P. E. Projector augmented-wave method. Physical Review B 50, 24 (1994).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR45","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"G Kresse","year":"1999","unstructured":"Kresse, G. & Joubert, J. From ultrasoft pseudopotentials to the projector augmented wave method. Physical Review B 59, 1758 (1999).","journal-title":"Physical Review B"},{"key":"BFsrep42410_CR46","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1063\/1.1564060","volume":"118","author":"J Heyd","year":"2003","unstructured":"Heyd, J., Scuseria, G. E. & Ernzerhof, M. Hybrid functionals based on a screened Coulomb potential. The Journal of Chemical Physics 118, 18 (2003).","journal-title":"The Journal of Chemical Physics"},{"key":"BFsrep42410_CR47","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1063\/1.1760074","volume":"121","author":"J Heyd","year":"2004","unstructured":"Heyd, J. & Scuseria, G. E. Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional. The Journal of Chemical Physics 121, 3 (2004).","journal-title":"The Journal of Chemical Physics"},{"key":"BFsrep42410_CR48","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1063\/1.2085170","volume":"123","author":"J Heyd","year":"2005","unstructured":"Heyd, J., Peralta, J. E., Scuseria, G. E. & Martin, R. L. Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. The Journal of Chemical Physics 123, 17 (2005).","journal-title":"The Journal of Chemical Physics"},{"key":"BFsrep42410_CR49","doi-asserted-by":"crossref","unstructured":"Togo, A. & Tanaka, I. First principles phonon calculations in materials science. Scripta Materialia 108, (2015).","DOI":"10.1016\/j.scriptamat.2015.07.021"},{"key":"BFsrep42410_CR50","unstructured":"Iii, C. L. B. Computer simulation of liquids. (Clarendon Press, 1987)."}],"container-title":["Scientific Reports"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/srep42410","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/srep42410.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/srep42410.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2022,12,23]],"date-time":"2022-12-23T20:16:23Z","timestamp":1671826583000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/srep42410"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,2,20]]},"references-count":50,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2017,3,9]]}},"alternative-id":["BFsrep42410"],"URL":"https:\/\/doi.org\/10.1038\/srep42410","relation":{},"ISSN":["2045-2322"],"issn-type":[{"value":"2045-2322","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,2,20]]},"assertion":[{"value":"1 August 2016","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"10 January 2017","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"20 February 2017","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"The authors declare no competing financial interests.","order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"42410"}}