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Electronic structures and anisotropic carrier mobilities of monolayer ternary metal iodides MLaI5(M=Mg, Ca, Sr, Ba).
Xin, Baojuan; Hu, Yaoqiao; Wu, Maokun; Cui, Jintao; Li, Luyan; Cheng, Yahui; Liu, Hui; Lu, Feng; Cho, Kyeongjae; Wang, Wei-Hua.
Afiliación
  • Xin B; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
  • Hu Y; Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, 75080, United States of America.
  • Wu M; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
  • Cui J; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
  • Li L; School of Science, Shandong Jianzhu University, Jinan 250101, People's Republic of China.
  • Cheng Y; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
  • Liu H; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
  • Lu F; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
  • Cho K; Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, 75080, United States of America.
  • Wang WH; Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300350, People's Republic of China.
J Phys Condens Matter ; 33(35)2021 Jul 05.
Article en En | MEDLINE | ID: mdl-34139679
Exploiting two-dimensional (2D) materials with natural band gaps and anisotropic quasi-one-dimensional (quasi-1D) carrier transport character is essential in high-performance nanoscale transistors and photodetectors. Herein, the stabilities, electronic structures and carrier mobilities of 2D monolayer ternary metal iodides MLaI5(M = Mg, Ca, Sr, Ba) have been explored by utilizing first-principles calculations combined with numerical calculations. It is found that exfoliating MLaI5monolayers are feasible owing to low cleavage energy of 0.19-0.21 J m-2and MLaI5monolayers are thermodynamically stable based on phonon spectra. MLaI5monolayers are semiconductors with band gaps ranging from 2.08 eV for MgLaI5to 2.51 eV for BaLaI5. The carrier mobility is reasonably examined considering both acoustic deformation potential scattering and polar optical phonon scattering mechanisms. All MLaI5monolayers demonstrate superior anisotropic and quasi-1D carrier transport character due to the striped structures. In particular, the anisotropic ratios of electron and hole mobilities along different directions reach hundreds and tens for MLaI5monolayers, respectively. Thus, the effective electron-hole spatial separation could be actually achieved. Moreover, the absolute locations of band edges of MLaI5monolayers have been aligned. These results would provide fundamental insights for MLaI5monolayers applying in nano-electronic and optoelectronic devices.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2021 Tipo del documento: Article Pais de publicación: Reino Unido
Texto completo
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XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Condens Matter Asunto de la revista: BIOFISICA Año: 2021 Tipo del documento: Article Pais de publicación: Reino Unido