dc.contributor.author | Durandurdu, Murat | |
dc.date.accessioned | 2024-09-02T07:43:14Z | |
dc.date.available | 2024-09-02T07:43:14Z | |
dc.date.issued | 2024 | en_US |
dc.identifier.issn | 09270256 | |
dc.identifier.uri | https://doi.org/10.1016/j.commatsci.2024.113062 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12573/2367 | |
dc.description.abstract | Employing constant pressure ab initio simulations, we have shed light on the previously unknown high-pressure behavior of amorphous gallium nitride. Our findings reveal a two-step transformation sequence under pressure. The initial transition involves a polyamorphic transformation from a low-density amorphous (LDA) phase to a high-density amorphous (HDA) phase with an average coordination number of 5.4. Upon pressure release, the HDA state partially reverts to a denser amorphous network with a higher coordination number (4.34) compared to the original LDA phase. Further pressurization triggers the crystallization of the HDA state into a rocksalt structure. Remarkably, the electronic structure of the amorphous forms of GaN exhibits insignificant sensitivity to changes in coordination number, maintaining a band gap of approximately 1.7–2.0 eV across all phases. | en_US |
dc.description.sponsorship | The author expresses gratitude for the support provided by the Abdullah Gül University Support Foundation. Additionally, the author acknowledges the computing resources and time generously provided by TÜBITAK ULAKBIM High Performance and Grid Computing Center (TRUBA resources). | en_US |
dc.language.iso | eng | en_US |
dc.publisher | ELSEVIER | en_US |
dc.relation.isversionof | 10.1016/j.commatsci.2024.113062 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Gallium nitride | en_US |
dc.subject | Amorphous | en_US |
dc.subject | Polyamorphism | en_US |
dc.title | Amorphous GaN: Polyamorphism and crystallization at high pressure | en_US |
dc.type | article | en_US |
dc.contributor.department | AGÜ, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü | en_US |
dc.contributor.authorID | 0000-0001-5636-3183 | en_US |
dc.contributor.institutionauthor | Durandurdu, Murat | |
dc.identifier.volume | 241 | en_US |
dc.identifier.startpage | 1 | en_US |
dc.identifier.endpage | 8 | en_US |
dc.relation.journal | Computational Materials Science | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |