Donor wave functions in Si gauged by STM images

A. L. Saraiva, J. Salfi, J. Bocquel, B. Voisin, S. Rogge, Rodrigo B. Capaz, M. J. Calderón, and Belita Koiller
Phys. Rev. B 93, 045303 – Published 8 January 2016

Abstract

The triumph of effective mass theory in describing the energy spectrum of dopants does not guarantee that the model wave functions will withstand an experimental test. Such wave functions have recently been probed by scanning tunneling spectroscopy, revealing localized patterns of resonantly enhanced tunneling currents. We show that the shape of the conducting splotches resembles a cut through Kohn-Luttinger (KL) hydrogenic envelopes, which modulate the interfering Bloch states of conduction electrons. All the nonmonotonic features of the current profile are consistent with the charge density fluctuations observed between successive {001} atomic planes, including a counterintuitive reduction of the symmetry—a heritage of the lowered point group symmetry at these planes. A model-independent analysis of the diffraction figure constrains the value of the electron wave vector to k0=(0.82±0.03)(2π/aSi). Unlike prior measurements, averaged over a sizable density of electrons, this estimate is obtained directly from isolated electrons. We further investigate the model-specific anisotropy of the wave function envelope, related to the effective mass anisotropy. This anisotropy appears in the KL variational wave function envelope as the ratio between Bohr radii b/a. We demonstrate that the central-cell-corrected estimates for this ratio are encouragingly accurate, leading to the conclusion that the KL theory is a valid model not only for energies but for wave functions as well.

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  • Received 11 August 2015
  • Revised 4 November 2015

DOI:https://doi.org/10.1103/PhysRevB.93.045303

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

A. L. Saraiva1, J. Salfi2, J. Bocquel2, B. Voisin2, S. Rogge2, Rodrigo B. Capaz1, M. J. Calderón3, and Belita Koiller1

  • 1Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972, Brazil
  • 2Centre for Quantum Computation and Communication Technology, School of Physics, University of New South Wales, Sydney, New South Wales 2052, Australia
  • 3Instituto de Ciencia de Materiales de Madrid, ICMM-CSIC, Cantoblanco, E-28049 Madrid, Spain

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Issue

Vol. 93, Iss. 4 — 15 January 2016

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