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Multifunctional two-dimensional semiconductors SnP3: universal mechanism of layer-dependent electronic phase transition
Gong, Peng-Lai1; Zhang, Fang1; Huang, Liang-Feng2; Zhang, Hu1; Li, Liang3; Xiao, Rui-Chun4; Deng, Bei1; Pan, Hui5; Shi, Xing-Qiang1
2018-11-28
Source PublicationJOURNAL OF PHYSICS-CONDENSED MATTER
ISSN0953-8984
Volume30Issue:47
Abstract

Two-dimensional (2D) semiconductors SnP3 are predicted, from first-principles calculations, to host moderate band gaps (0.72 eV for monolayer and 1.07 eV for bilayer), ultrahigh carrier mobility (similar to 10(4) cm(2) V-1 s(-1) for bilayer), strong absorption coefficients (similar to 10(5) cm(-1)) and good stability. Moreover, the band gap can be modulated from an indirect character into a direct one via strain engineering. For experimental accessibility, the calculated exfoliation energies of monolayer and bilayer SnP3 are smaller than those of the common arsenic-type honeycomb structures GeP3 and InP3. More importantly, a semiconductor-to-metal transition is discovered with the layer number N > 2. We demonstrate, in remarkable contrast to the previous understandings, that such phase transition is largely driven by the correlation between lone-pair electrons of interlayer Sn and P atoms. This mechanism is universal for analogues phase transitions in arsenic-type honeycomb structures (GeP3, InP3 and SnP3).

KeywordMetal-to-semiconductor Transition Lone-pair Electrons Two-dimensional Snp3
DOI10.1088/1361-648X/aae61b
URLView the original
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000448979900002
PublisherIOP PUBLISHING LTD
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Cited Times [WOS]:3   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Applied Physics and Materials Engineering
Affiliation1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China;
2.Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA;
3.Anhui Univ, Inst Phys Sci & Informat Technol, Hefei 230601, Anhui, Peoples R China;
4.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Anhui, Peoples R China;
5.Univ Macau, Inst Appl Phys & Mat Engn, Taipa, Macau Sar, Peoples R China
Recommended Citation
GB/T 7714
Gong, Peng-Lai,Zhang, Fang,Huang, Liang-Feng,et al. Multifunctional two-dimensional semiconductors SnP3: universal mechanism of layer-dependent electronic phase transition[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2018,30(47).
APA Gong, Peng-Lai.,Zhang, Fang.,Huang, Liang-Feng.,Zhang, Hu.,Li, Liang.,...&Shi, Xing-Qiang.(2018).Multifunctional two-dimensional semiconductors SnP3: universal mechanism of layer-dependent electronic phase transition.JOURNAL OF PHYSICS-CONDENSED MATTER,30(47).
MLA Gong, Peng-Lai,et al."Multifunctional two-dimensional semiconductors SnP3: universal mechanism of layer-dependent electronic phase transition".JOURNAL OF PHYSICS-CONDENSED MATTER 30.47(2018).
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