Kuzuya, Y

Mizuno, T

Mizuta, Hiroshi

Moraru, D

Tabe, M

English

Southampton (e-Prints Soton)

単一ドーパントシミュレーション -  ナノ構造内ドーパント原子の状態と電子輸送 - Ab initio simulation of single dopant devices: electronic states and transport 静大電子研1， サザンプトン大2， 北陸先端大3 ○ダニエル・モラル1， 葛屋 陽平1， 水野 武志1， 田部  道晴1, 水田 博2, 3 Res. Inst. Electronics, Shizuoka Univ. 1, Univ. of Southampton2, JAIST3,   ○Daniel Moraru 1, Yohei Kuzuya 1, Takeshi Mizuno 1, Michiharu Tabe 1, Hiroshi Mizuta 2, 3 E-mail: daniel@rie.shizuoka.ac.jp  Ab  initio  approach  becomes  essential  in  analyzing  discrete  dopants  in  extremely-scaled  silicon nanodevices  as  the  random  configuration  of  dopants  significantly  influences  the  overall  device characteristics. The individual dopant atoms are expected to show fairly different properties compared to those in bulk silicon due both to quantum and dielectric confinement in the silicon nanostructures. We  adopt  a  fully  atomistic  simulation,  Atomistic  Toolkit  ATK-DFT  10.8,  which  combines  the calculation of electronic states using density functional theory (DFT) with transport calculations based on the non-equilibrium Green’s Function (NEGF) method. We study the variability of electronic and transport properties of silicon nanorod transistors with single and a few dopant atoms [1]. In  the  presentation,  we  first overview ab initio studies of isolated silicon  clusters  with  discrete  dopants reported in the past [2]-[4] in terms of formation energy and ionization energy. We then discuss our recent studies on the  impact  of  location  of  a  single phosphorus dopant in silicon nanorods with  contacts  relative  to  the  surface and  edge  of  the  nanorod,  as  well  as relative to the metal electrodes. The electronic properties of a single dopant placed in the vicinity of the source and drain electrodes are of particular interest for investigating the screening effects of metallic electrodes on the dopant potential  [5].  We  also  discuss  the  dependence  of  the  stability,  electronic  properties  and  electrical characteristics of the nanorod transistors on the number and configuration of a few dopants.  Acknowledgment: This work is financially supported by KAKENHI  22310085, ‘Development of atom-scale design and characterization technology for single-dopant silicon nanoelectronics’.  [1]  葛屋， 三木， モラル， 水野， 田部， 水田， 第５８回応用物理学関係連合講演会  27a-KC-11 (2011). [2] G. Cantele et al., Phys. Rev. B 72, 113303 (2005). [3] Z. Zhou et al., Phys. Rev. B 71, 245308 (2005). [4] F. Iori et al., Phys. Rev. B 76, 085302 (2007). [5] M. Diarra, C. Delerue, Y.-M. Niquet, and G. Allan, J. Appl. Phys. 103, 073703 (2008). Fig.  1.  (a)  A  Si  nanorod  transistor,  (b)  atomistic  potential distribution, (c) density of state and (d) transmission spectra. Density of state (DOS)Transmission Rate T(E)Single P donor(a)(b)(c)(d)

Ab initio simulation of single dopant devices: electronic states and transport

Abstract

Similar works

Full text

Available Versions

Southampton (e-Prints Soton)