{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T01:30:15Z","timestamp":1760059815530,"version":"build-2065373602"},"reference-count":73,"publisher":"MDPI AG","issue":"14","license":[{"start":{"date-parts":[[2025,7,17]],"date-time":"2025-07-17T00:00:00Z","timestamp":1752710400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["12264033","12464040"],"award-info":[{"award-number":["12264033","12464040"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nanomaterials"],"abstract":"<jats:p>Group IV element-based topological semimetals (TSMs) are pivotal for next-generation quantum devices due to their ultra-high carrier mobility and low-energy consumption. However, germanium (Ge)-based TSMs remain underexplored despite their compatibility with existing semiconductor technologies. Here, we propose a novel I229-Ge48 allotrope constructed via bottom-up cluster assembly that exhibits a unique porous spherical Fermi surface and strain-tunable topological robustness. First-principles calculations reveal that I229-Ge48 is a topological nodal line semimetal with exceptional mechanical anisotropy (Young\u2019s modulus ratio: 2.27) and ductility (B\/G = 2.21, \u03bd = 0.30). Remarkably, the topological property persists under spin-orbit coupling (SOC) and tensile strain, while compressive strain induces a semiconductor transition (bandgap: 0.29 eV). Furthermore, I229-Ge48 demonstrates strong visible-light absorption (105 cm\u22121) and a strong strain-modulated infrared response, surpassing conventional Ge allotropes. These findings establish I229-Ge48 as a multifunctional platform for strain-engineered nanoelectronics and optoelectronic devices.<\/jats:p>","DOI":"10.3390\/nano15141109","type":"journal-article","created":{"date-parts":[[2025,7,17]],"date-time":"2025-07-17T13:00:51Z","timestamp":1752757251000},"page":"1109","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["First-Principles Study of Topological Nodal Line Semimetal I229-Ge48 via Cluster Assembly"],"prefix":"10.3390","volume":"15","author":[{"given":"Liwei","family":"Liu","sequence":"first","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xin","family":"Wang","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nan","family":"Wang","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yaru","family":"Chen","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shumin","family":"Wang","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Caizhi","family":"Hua","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tielei","family":"Song","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhifeng","family":"Liu","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6858-4482","authenticated-orcid":false,"given":"Xin","family":"Cui","sequence":"additional","affiliation":[{"name":"Inner Mongolia Key Laboratory of Microscale Physics and Atom Innovation, School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2025,7,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"125427","DOI":"10.1103\/PhysRevB.88.125427","article-title":"Three-Dimensional Dirac Semimetal and Quantum Transport in Cd3As2","volume":"88","author":"Wang","year":"2013","journal-title":"Phys. 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