{"title":"A first principles study on vacancy-defected and transition metal-doped novel Ga2O2 Monolayers","authors":"Suraj Dhongade, Aniket Singha","doi":"10.1016/j.jmmm.2025.172844","DOIUrl":null,"url":null,"abstract":"<div><div>Using first-principles calculation, we explore the structural, electronic, and magnetic properties of the recently predicted novel two-dimensional (2D) Ga<sub>2</sub>O<sub>2</sub> monolayer (L. Shao et al., (2021)) with vacancy defect and transition metal (TM) doping. Investigations on formation energy indicate that most of the structures and doping, except Ga-vacancy and Mn-doping, can be achieved experimentally. Furthermore, our study demonstrates that all transition metals, except Sc, Ti, and Cu, induce magnetism in the monolayer. Notably, V and Ti introduce a prominent n-type behavior into the typically p-type Ga<sub>2</sub>O<sub>2</sub>. Therefore, transition metal doping and substitution represent a significant pathway for inducing n-type characteristics and magnetism in the normally p-type, non-magnetic Ga<sub>2</sub>O<sub>2</sub> monolayer.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"617 ","pages":"Article 172844"},"PeriodicalIF":2.5000,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Magnetism and Magnetic Materials","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0304885325000757","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Using first-principles calculation, we explore the structural, electronic, and magnetic properties of the recently predicted novel two-dimensional (2D) Ga2O2 monolayer (L. Shao et al., (2021)) with vacancy defect and transition metal (TM) doping. Investigations on formation energy indicate that most of the structures and doping, except Ga-vacancy and Mn-doping, can be achieved experimentally. Furthermore, our study demonstrates that all transition metals, except Sc, Ti, and Cu, induce magnetism in the monolayer. Notably, V and Ti introduce a prominent n-type behavior into the typically p-type Ga2O2. Therefore, transition metal doping and substitution represent a significant pathway for inducing n-type characteristics and magnetism in the normally p-type, non-magnetic Ga2O2 monolayer.
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The Journal of Magnetism and Magnetic Materials provides an important forum for the disclosure and discussion of original contributions covering the whole spectrum of topics, from basic magnetism to the technology and applications of magnetic materials. The journal encourages greater interaction between the basic and applied sub-disciplines of magnetism with comprehensive review articles, in addition to full-length contributions. In addition, other categories of contributions are welcome, including Critical Focused issues, Current Perspectives and Outreach to the General Public.
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