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First-principles study of phase transition in the α -In 2 Se 3 /metal heterostructures.

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العنوان: First-principles study of phase transition in the α -In 2 Se 3 /metal heterostructures.
المؤلفون: Yu ZL; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Zhang CY; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Tan QS; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Tao JY; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Sun XX; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Luo L; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Li F; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Zhao YQ; School of Physics and Electronics Science, Hunan University of Science and Technology, Xiangtan 411201, Peoples's Republic of China., Li C; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China., Lang L; Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of physics and electrical sciences, Hunan Institute of Science and Technology, Yueyang 414006, People's Republic of China.
المصدر: Journal of physics. Condensed matter : an Institute of Physics journal [J Phys Condens Matter] 2024 Jan 04; Vol. 36 (13). Date of Electronic Publication: 2024 Jan 04.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: IOP Pub Country of Publication: England NLM ID: 101165248 Publication Model: Electronic Cited Medium: Internet ISSN: 1361-648X (Electronic) Linking ISSN: 09538984 NLM ISO Abbreviation: J Phys Condens Matter Subsets: PubMed not MEDLINE; MEDLINE
أسماء مطبوعة: Original Publication: Bristol, UK : IOP Pub., c1989-
مستخلص: With the discovery of two-dimensional (2D) ferroelectric materials such as CuInP 2 S 6 and α -In 2 Se 3 , the ferroelectric field effect transistors (Fe-FETs) based on these materials have entered a rapid-development period. The metal/semiconductor contact is an unavoidable topic in the construction of devices. In this paper, heterostructures α -In 2 Se 3 /metals (Pd, Pt, Cu, Ag and Au) are discussed. According to different stacking types, the structures and energy of 160 heterostructures are calculated and compared. When α -In 2 Se 3 contacts with the Pd, Pt and Cu, the α -In 2 Se 3 may transforms into β -In 2 Se 3 . This phenomenon has hardly been mentioned or analyzed in previous reports. Contacting with the Au and Ag, the α -In 2 Se 3 maintains the original structure. The internal physical mechanism of phase transition is explained from the binding energy and the charge transfer. The paper provides sufficient theoretical support for research and development of the Fe-FETs based on α -In 2 Se 3 .
(© 2024 IOP Publishing Ltd.)
فهرسة مساهمة: Keywords: 2D ferroelectric materials; first principles calculation; α-In2Se3/metal heterostructures
تواريخ الأحداث: Date Created: 20231213 Latest Revision: 20240104
رمز التحديث: 20240104
DOI: 10.1088/1361-648X/ad154e
PMID: 38091623
قاعدة البيانات: MEDLINE
الوصف
تدمد:1361-648X
DOI:10.1088/1361-648X/ad154e