4.8 Article

A Pathway to Type-I Band Alignment in Ge/Si Core-Shell Nanowires

期刊

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 4, 期 1, 页码 121-126

出版社

AMER CHEMICAL SOC
DOI: 10.1021/jz301975v

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资金

  1. Basic Science Research Program through the National Research Foundation of Korea (NRF)
  2. Ministry of Education, Science and Technology [2012R1A1A1011302]
  3. Hanbat National University
  4. National Research Council of Science & Technology (NST), Republic of Korea [2E24002] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
  5. National Research Foundation of Korea [2012R1A1A1011302] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)

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We investigate the electronic band structures of Ge/Si core-shell nanowires (CSNWs) and devise a way to realize the electron quantum well at Ge core atoms with first-principles calculations. We reveal that the electronic band engineering by the quantum confinement and the lattice strain can induce the type-I/II band alignment transition, and the resulting type-I band alignment generates the electron quantum well in Ge/Si CSNWs. We also find that the type-I/II transition in Ge/Si CSNWs is highly related to the direct to indirect band gap transition through the analysis of charge density and band structures. In terms of the quantum confinement, for [100] and [111] directional Ge/Si CSNWs, the type-I/II transition can be obtained by decreasing the diameters, whereas a [110] directional CSNW preserves the type-II band alignment even at diameters as small as 1 nm. By applying a compressive strain on [110] CSNWs, the type-I band alignment can be formed. Our results suggest that Ge/Si CSNWs can have the type-I band alignment characteristics by the band structure engineering, which enables both n-type and p-type quantum-well transistors to be fabricated using Ge/Si CSNWs for high-speed logic applications.

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