PMID- 38056009 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20231215 IS - 1361-648X (Electronic) IS - 0953-8984 (Linking) VI - 36 IP - 12 DP - 2023 Dec 15 TI - The interfacial properties of 2D metal-monolayer blue phosphorene heterojunctions and transport properties of their field-effect transistors. LID - 10.1088/1361-648X/ad12ff [doi] AB - Monolayer blue phosphorene (BlueP) has attracted much interest as a potential channel material in electronic devices. Searching for suitable two-dimensional (2D) metal materials to use as electrodes is critical to fabricating high-performance nanoscale channel BlueP-based field effect transistors (FETs). In this paper, we adopted first-principles calculations to explore binding energies, phonon calculations and electronic structures of 2D metal-BlueP heterojunctions, including Ti(3)C(2)-, NbTe(2)-, Ga(110)- and NbS(2)-BlueP, and thermal stability of Ti(3)C(2)-BlueP heterojunction at room temperature. We also used density functional theory coupled with the nonequilibrium Green function method to investigate the transport properties of sub-5 nm BlueP-based FETs with Ti(3)C(2)-BlueP electrodes. Our calculated results indicate that Ti(3)C(2)-BlueP has excellent thermal stability and may be used as a candidate electrode material for BlueP-based FETs. The double-gate can more effectively improve the device performance compared with the single-gate. The estimated source leakage current of sub-5 nm transistors reaches up to 369microA microm(-1), which is expected to meet the requirements of the international technology roadmap for semiconductors for LP (low-power) devices. Our results imply that 2D Ti(3)C(2)may act as an appropriate electrode material for LP BlueP-based FETs, thus providing guidance for the design of future short-gate-length BlueP-based FETs. CI - (c) 2023 IOP Publishing Ltd. FAU - Chen, Weiling AU - Chen W AD - Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, People's Republic of China. FAU - Lin, Xian AU - Lin X AD - Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, People's Republic of China. FAU - Xu, Guigui AU - Xu G AD - Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, People's Republic of China. AD - Concord University College, Fujian Normal University, Fuzhou 350117, People's Republic of China. FAU - Zhong, Kehua AU - Zhong K AUID- ORCID: 0000-0002-0857-1583 AD - Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, People's Republic of China. AD - Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering, Xiamen 350117, People's Republic of China. FAU - Zhang, Jian-Min AU - Zhang JM AUID- ORCID: 0000-0002-0356-5387 AD - Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, People's Republic of China. AD - Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering, Xiamen 350117, People's Republic of China. FAU - Huang, Zhigao AU - Huang Z AD - Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou 350117, People's Republic of China. AD - Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering, Xiamen 350117, People's Republic of China. LA - eng PT - Journal Article DEP - 20231215 PL - England TA - J Phys Condens Matter JT - Journal of physics. Condensed matter : an Institute of Physics journal JID - 101165248 SB - IM OTO - NOTNLM OT - blue phosphorene OT - field effect transistor OT - first-principles calculations OT - transport property OT - two-dimensional electrode EDAT- 2023/12/06 18:42 MHDA- 2023/12/06 18:43 CRDT- 2023/12/06 17:44 PHST- 2023/09/04 00:00 [received] PHST- 2023/12/06 00:00 [accepted] PHST- 2023/12/06 18:43 [medline] PHST- 2023/12/06 18:42 [pubmed] PHST- 2023/12/06 17:44 [entrez] AID - 10.1088/1361-648X/ad12ff [doi] PST - epublish SO - J Phys Condens Matter. 2023 Dec 15;36(12). doi: 10.1088/1361-648X/ad12ff.