New C 2h phase of group III monochalcogenide monolayers AlX (X = S, Se, and Te) with anisotropic crystal structure: first-principles study.

التفاصيل البيبلوغرافية
العنوان:	New C 2h phase of group III monochalcogenide monolayers AlX (X = S, Se, and Te) with anisotropic crystal structure: first-principles study.
المؤلفون:	Tran TA; Faculty of Applied Sciences, Ho Chi Minh City University of Technology and Education Ho Chi Minh City Vietnam anhtt@hcmute.edu.vn., Hai LS; Faculty of Applied Sciences, Ho Chi Minh City University of Technology and Education Ho Chi Minh City Vietnam anhtt@hcmute.edu.vn., Nguyen CQ; Institute of Research and Development, Duy Tan University Da Nang Vietnam hieunn@duytan.edu.vn.; Faculty of Natural Sciences, Duy Tan University Da Nang Vietnam., Vi VTT; Faculty of Basic Sciences, University of Medicine and Pharmacy, Hue University Hue Vietnam., Linh TPT; Faculty of Physics, Hanoi National University of Education Ha Noi Vietnam., Hieu NN; Institute of Research and Development, Duy Tan University Da Nang Vietnam hieunn@duytan.edu.vn.; Faculty of Natural Sciences, Duy Tan University Da Nang Vietnam.
المصدر:	RSC advances [RSC Adv] 2023 Feb 28; Vol. 13 (10), pp. 6838-6846. Date of Electronic Publication: 2023 Feb 28 (Print Publication: 2023).
نوع المنشور:	Journal Article
اللغة:	English
بيانات الدورية:	Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101581657 Publication Model: eCollection Cited Medium: Internet ISSN: 2046-2069 (Electronic) Linking ISSN: 20462069 NLM ISO Abbreviation: RSC Adv Subsets: PubMed not MEDLINE
أسماء مطبوعة:	Original Publication: Cambridge [England] : Royal Society of Chemistry, [2011]-
مستخلص:	In this paper, we introduce a new phase of two-dimensional aluminum monochalcogenide, namely C 2h -AlX (X = S, Se, and Te). With the C 2h space group, C 2h -AlX possesses a large unit cell containing 8 atoms. The C 2h phase of AlX monolayers is found to be dynamically and elastically stable based on the evaluation of its phonon dispersions and elastic constants. The anisotropic atomic structure of C 2h -AlX leads to a strong anisotropy in its mechanical properties with Young's modulus and Poisson's ratio strongly dependent on the directions examined in the two-dimensional plane. All three monolayers of C 2h -AlX are found to be direct band gap semiconductors, which are compared with the indirect band gap semiconductors of available D 3h -AlX. Particularly, the transition from direct to indirect band gap is observed in C 2h -AlX when a compressive biaxial strain is applied. Our calculated results indicate that C 2h -AlX exhibits anisotropic optical characteristics and its absorption coefficient is high. Our findings suggest that C 2h -AlX monolayers are suitable for applications in next-generation electro-mechanical and anisotropic opto-electronic nanodevices. Competing Interests: There are no conflicts of interest to declare. (This journal is © The Royal Society of Chemistry.)
References:	Science. 2004 Oct 22;306(5696):666-9. (PMID: 15499015) J Comput Chem. 2006 Nov 30;27(15):1787-99. (PMID: 16955487) Adv Mater. 2021 Mar;33(12):e2007819. (PMID: 33604926) Phys Rev Lett. 2009 Jun 26;102(25):256405. (PMID: 19659105) Phys Rev B Condens Matter. 1996 Oct 15;54(16):11169-11186. (PMID: 9984901) Nano Lett. 2021 May 26;21(10):4305-4313. (PMID: 33970636) Phys Rev B Condens Matter. 1994 Dec 15;50(24):17953-17979. (PMID: 9976227) J Phys Condens Matter. 2021 May 04;33(22):. (PMID: 33784649) ACS Nano. 2012 Jul 24;6(7):5988-94. (PMID: 22676041) ACS Omega. 2020 Jul 16;5(29):18213-18217. (PMID: 32743196) ACS Appl Mater Interfaces. 2020 Jul 8;12(27):30731-30739. (PMID: 32584015) Angew Chem Int Ed Engl. 2010 Jun 1;49(24):4059-62. (PMID: 20425874) J Am Chem Soc. 2010 Nov 3;132(43):15170-2. (PMID: 20942394) Phys Chem Chem Phys. 2020 Apr 15;22(15):7952-7961. (PMID: 32232260) J Phys Condens Matter. 2015 Nov 11;27(44):443002. (PMID: 26466359) J Phys Condens Matter. 2009 Sep 30;21(39):395502. (PMID: 21832390)
تواريخ الأحداث:	Date Created: 20230303 Latest Revision: 20230304
رمز التحديث:	20230304
مُعرف محوري في PubMed:	PMC9973419
DOI:	10.1039/d2ra08012e
PMID:	36865579
قاعدة البيانات:	MEDLINE

Full Text Finder

الوصف
تدمد:	2046-2069
DOI:	10.1039/d2ra08012e