{"id":3999,"date":"2024-11-24T16:54:36","date_gmt":"2024-11-24T15:54:36","guid":{"rendered":"https:\/\/equipes.lps.u-psud.fr\/puls\/?p=3999"},"modified":"2025-04-15T11:16:02","modified_gmt":"2025-04-15T09:16:02","slug":"ingap-states-in-hexagonal-diamond-silicon","status":"publish","type":"post","link":"https:\/\/equipes.lps.u-psud.fr\/puls\/ingap-states-in-hexagonal-diamond-silicon\/","title":{"rendered":"Ingap states in hexagonal diamond silicon"},"content":{"rendered":"\n<p class=\"wp-block-paragraph\">The study of &#8220;Acceptor and donor impurity levels in hexagonal-diamond silicon&#8221; appeared in Phys. Rev. Materials 8, 114601 (2024).<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n\n\n\n<p class=\"wp-block-paragraph\">The effect of p- and n-type substitutional doping on the structural and electronic properties of hexagonal-diamond Si (2H-Si) has been studied through ab initio DFT simulations. We have provided a detailed analysis of how a given impurity can assume a different local symmetry depending on the host crystal phase. Then, by studying neutral and charged dopants, we have carefully estimated donors&#8217; and acceptors&#8217; transition energy levels in 2H-Si and compare them with the cubic-diamond (3C) case. In the case of acceptors, the formation energy is always lower in 2H-Si and is associated with a shallower charge transition level with respect to 3C-Si. On the other hand, donors prefer the cubic phase and have transition energies smaller with respect to 2H-Si. Finally, by employing a simple model based on the 2H\/3C band offset diagram, we have proven the physical validity of our findings and we have shown how holes can be used to stabilize the 2H-Si phase.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><em>Reference: Marc T\u00fanica, Alberto Zobelli and Michele&nbsp;Amato, Phys. Rev. Materials 8, 114601 (2024)<\/em>.&nbsp;<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"<p>The study of &#8220;Acceptor and donor impurity levels in hexagonal-diamond silicon&#8221; appeared in Phys. Rev. Materials 8, 114601 (2024). The effect of p- and n-type substitutional doping on the structural &#8230;<\/p>\n","protected":false},"author":76,"featured_media":4002,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[11,17],"class_list":["post-3999","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-news","tag-modeling","tag-semiconductors"],"_links":{"self":[{"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/posts\/3999","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/users\/76"}],"replies":[{"embeddable":true,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/comments?post=3999"}],"version-history":[{"count":5,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/posts\/3999\/revisions"}],"predecessor-version":[{"id":4331,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/posts\/3999\/revisions\/4331"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/media\/4002"}],"wp:attachment":[{"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/media?parent=3999"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/categories?post=3999"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/equipes.lps.u-psud.fr\/puls\/wp-json\/wp\/v2\/tags?post=3999"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}