Fe dopant in ZnO: 2+ versus 3+ valency and ion-carrier s,pd exchange interaction

J. Papierska, A. Ciechan, P. Bogusławski, M. Boshta, M. M. Gomaa, E. Chikoidze, Y. Dumont, A. Drabińska, H. Przybylińska, A. Gardias, J. Szczytko, A. Twardowski, M. Tokarczyk, G. Kowalski, B. Witkowski, K. Sawicki, W. Pacuski, M. Nawrocki, and J. Suffczyński
Phys. Rev. B 94, 224414 – Published 14 December 2016

Abstract

Dopants of transition metal ions in II-VI semiconductors exhibit native 2+ valency. Despite this, 3+ or mixed 3+/2+ valency of iron ions in ZnO was reported previously. Several contradictory mechanisms have been put forward for explanation of this fact so far. Here we analyze Fe valency in ZnO by complementary theoretical and experimental studies. Our calculations within the generalized gradient approximation (GGA+U) indicate that the Fe ion is a relatively shallow donor. Its stable charge state is Fe2+ in ideal ZnO, however, the high energy of the (+/0) transition level enhances the compensation of Fe2+ to Fe3+ by nonintentional acceptors in real samples. Using several experimental methods like electron paramagnetic resonance, magnetometry, conductivity, excitonic magnetic circular dichroism, and magnetophotoluminescence we confirm the 3+ valency of the iron ions in polycrystalline (Zn,Fe)O films with the Fe content attaining 0.2%. We find a predicted increase of n-type conductivity upon the Fe doping with the Fe donor ionization energy of 0.25±0.02 eV consistent with the results of theoretical considerations. Moreover, our magneto-optical measurements confirm the calculated nonvanishing s,p-d exchange interaction between band carriers and localized magnetic moments of the Fe3+ ions in the ZnO, being so far an unsettled issue.

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  • Received 5 February 2016
  • Revised 8 November 2016

DOI:https://doi.org/10.1103/PhysRevB.94.224414

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

J. Papierska1, A. Ciechan2, P. Bogusławski2,3, M. Boshta4, M. M. Gomaa4, E. Chikoidze5, Y. Dumont5, A. Drabińska1, H. Przybylińska2, A. Gardias1, J. Szczytko1, A. Twardowski1, M. Tokarczyk1, G. Kowalski1, B. Witkowski2, K. Sawicki1, W. Pacuski1, M. Nawrocki1, and J. Suffczyński1,*

  • 1Institute of Experimental Physics, Faculty of Physics, University of Warsaw, ul. Pasteura 5, 02-093 Warsaw, Poland
  • 2Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland
  • 3Institute of Physics, Kazimierz Wielki University, Powstancow Wielkopolskich 2, 85-064 Bydgoszcz, Poland
  • 4Solid State Physics Department, National Research Center, 12311 Dokki, Giza, Egypt
  • 5Groupe d'Étude de la Matière Condensée (GEMaC), Université de Versailles St-Quentin en Yvelines-CNRS, Université Paris-Saclay, Versailles, France

  • *Jan.Suffczynski@fuw.edu.pl

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Issue

Vol. 94, Iss. 22 — 1 December 2016

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