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Our previous first-principles results showed that nanotwins can strengthen TE Indium Antimony (InSb) through In\u2013Sb covalent bond rearrangement at the TBs. Herein, we further show that shear-induced deformation twinning enhances plasticity of InSb. We demonstrate this by employing large-scale molecular dynamics (MD) to follow the shear stress response of flawless single-crystal InSb along various slip systems. We observed that the maximum shear strain for the\n                    <jats:inline-formula>\n                      <jats:alternatives>\n                        <jats:tex-math>$$(111)[11\\bar 2]$$<\/jats:tex-math>\n                        <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\">\n                          <mml:mrow>\n                            <mml:mo>(<\/mml:mo>\n                            <mml:mrow>\n                              <mml:mn>111<\/mml:mn>\n                            <\/mml:mrow>\n                            <mml:mo>)<\/mml:mo>\n                          <\/mml:mrow>\n                          <mml:mrow>\n                            <mml:mo>[<\/mml:mo>\n                            <mml:mrow>\n                              <mml:mn>11<\/mml:mn>\n                              <mml:mover>\n                                <mml:mrow>\n                                  <mml:mn>2<\/mml:mn>\n                                <\/mml:mrow>\n                                <mml:mo>\u00af<\/mml:mo>\n                              <\/mml:mover>\n                            <\/mml:mrow>\n                            <mml:mo>]<\/mml:mo>\n                          <\/mml:mrow>\n                        <\/mml:math>\n                      <\/jats:alternatives>\n                    <\/jats:inline-formula>\n                    slip system can be up to 0.85 due to shear-induced deformation twinning. We attribute this deformation twinning to the \u201ccatching bond\u201d involving breaking and re-formation of In\u2013Sb bond in InSb. This finding opens up a strategy to increase the plasticity of TE InSb by deformation twinning, which is expected to be implemented in other isotypic III\u2013V semiconductors with zinc blende structure.\n                  <\/jats:p>","DOI":"10.1038\/s41524-021-00581-x","type":"journal-article","created":{"date-parts":[[2021,7,16]],"date-time":"2021-07-16T06:03:33Z","timestamp":1626415413000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":33,"title":["Shear induced deformation twinning evolution in thermoelectric InSb"],"prefix":"10.1038","volume":"7","author":[{"given":"Zhongtao","family":"Lu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ben","family":"Huang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7859-2400","authenticated-orcid":false,"given":"Guodong","family":"Li","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaolian","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qi","family":"An","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bo","family":"Duan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pengcheng","family":"Zhai","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3017-1567","authenticated-orcid":false,"given":"Qingjie","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0097-5716","authenticated-orcid":false,"suffix":"III","given":"William A.","family":"Goddard","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,7,16]]},"reference":[{"key":"581_CR1","doi-asserted-by":"publisher","first-page":"201902","DOI":"10.1063\/1.2130390","volume":"87","author":"S Yamaguchi","year":"2005","unstructured":"Yamaguchi, S., Matsumoto, T., Yamazaki, J., Kaiwa, N. & Yamamoto, A. 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