Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems

N. Bundaleski, I. Radisavljević, N. Ivanović, Z. Rakočević, M. Medić Ilić, N. Romčević, O. M. N. D. Teodoro

Research output: Contribution to journalArticle

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Abstract

Local structural and electronic properties around Fe in multi-component Cd0.99Fe0.01Te0.97S0.03 system were studied by means of X-ray absorption fine structure (XAFS). Composition of non-polar (110) surfaces of Cd0.97Fe0.03Te and Cd0.99Fe0.01Te0.97S0.03 systems and mechanism of their oxidation in ambient conditions were studied by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). It has been found that Fe preferentially substitutes Cd, but due to much smaller covalent radius and preferences for paring with S, it causes local distortion of the host CdTe lattice. The distortion is confined to the Fe-immediate surrounding and the second and third coordination shell atoms are (inside experimental uncertainties) placed at distances expected in CdTe. Although local structure around Fe is well defined in the bulk of both samples, their near-surface region is completely depleted from Fe, and in case of Cd0.99Fe0.01Te0.97S0.03 somewhat enriched in S. Special attention is, therefore, paid to characterization of the near-surface region and evaluation of its composition and structure. To that end we have introduced a general standard-free algorithm for XPS data analysis of the two-layer surface structure (bulk, oxide layer, and the impurity layer). Results of the in-depth composition analysis revealed that despite different bulk composition and impurity layer thickness, underneath the topmost impurity layer lays approximately one monolayer of CdTeO3 which passivates the surface.

Original languageEnglish
Pages (from-to)76-86
Number of pages11
JournalSurface Science
Volume681
DOIs
Publication statusPublished - 1 Mar 2019

Fingerprint

Surface structure
Electronic structure
electronic structure
Impurities
Chemical analysis
impurities
X ray photoelectron spectroscopy
photoelectron spectroscopy
x rays
X ray absorption
Electronic properties
Oxides
Structural properties
Monolayers
Atomic force microscopy
surface layers
fine structure
atomic force microscopy
substitutes
Atoms

Keywords

  • II–VI semiconductors
  • Iron impurity
  • Oxidation
  • XAS
  • XPS

Cite this

Bundaleski, N. ; Radisavljević, I. ; Ivanović, N. ; Rakočević, Z. ; Medić Ilić, M. ; Romčević, N. ; Teodoro, O. M. N. D. / Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems. In: Surface Science. 2019 ; Vol. 681. pp. 76-86.
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title = "Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems",
abstract = "Local structural and electronic properties around Fe in multi-component Cd0.99Fe0.01Te0.97S0.03 system were studied by means of X-ray absorption fine structure (XAFS). Composition of non-polar (110) surfaces of Cd0.97Fe0.03Te and Cd0.99Fe0.01Te0.97S0.03 systems and mechanism of their oxidation in ambient conditions were studied by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). It has been found that Fe preferentially substitutes Cd, but due to much smaller covalent radius and preferences for paring with S, it causes local distortion of the host CdTe lattice. The distortion is confined to the Fe-immediate surrounding and the second and third coordination shell atoms are (inside experimental uncertainties) placed at distances expected in CdTe. Although local structure around Fe is well defined in the bulk of both samples, their near-surface region is completely depleted from Fe, and in case of Cd0.99Fe0.01Te0.97S0.03 somewhat enriched in S. Special attention is, therefore, paid to characterization of the near-surface region and evaluation of its composition and structure. To that end we have introduced a general standard-free algorithm for XPS data analysis of the two-layer surface structure (bulk, oxide layer, and the impurity layer). Results of the in-depth composition analysis revealed that despite different bulk composition and impurity layer thickness, underneath the topmost impurity layer lays approximately one monolayer of CdTeO3 which passivates the surface.",
keywords = "II–VI semiconductors, Iron impurity, Oxidation, XAS, XPS",
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note = "The research leading to these results has received funding from the European Community's Seventh Framework programme (FP7/2007-2013) under the Grant agreement No 226716 and is supported by Serbian Ministry of Education, Science and Technological Development under the Grants 11145003 and 11145005, the Program of scientific and technological cooperation between Republic of Serbia and Republic of Portugal under the Grant No. 451-03-02328/2012-14/03 and the Portuguese Research Grant Pest-OE/FIS/UI0068/2013 through FCT-MEC. HASYLAB @ DESY is acknowledged for providing the beam time for XAFS measurements.",
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Bundaleski, N, Radisavljević, I, Ivanović, N, Rakočević, Z, Medić Ilić, M, Romčević, N & Teodoro, OMND 2019, 'Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems' Surface Science, vol. 681, pp. 76-86. https://doi.org/10.1016/j.susc.2018.11.007

Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems. / Bundaleski, N.; Radisavljević, I.; Ivanović, N.; Rakočević, Z.; Medić Ilić, M.; Romčević, N.; Teodoro, O. M. N. D.

In: Surface Science, Vol. 681, 01.03.2019, p. 76-86.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems

AU - Bundaleski, N.

AU - Radisavljević, I.

AU - Ivanović, N.

AU - Rakočević, Z.

AU - Medić Ilić, M.

AU - Romčević, N.

AU - Teodoro, O. M. N. D.

N1 - The research leading to these results has received funding from the European Community's Seventh Framework programme (FP7/2007-2013) under the Grant agreement No 226716 and is supported by Serbian Ministry of Education, Science and Technological Development under the Grants 11145003 and 11145005, the Program of scientific and technological cooperation between Republic of Serbia and Republic of Portugal under the Grant No. 451-03-02328/2012-14/03 and the Portuguese Research Grant Pest-OE/FIS/UI0068/2013 through FCT-MEC. HASYLAB @ DESY is acknowledged for providing the beam time for XAFS measurements.

PY - 2019/3/1

Y1 - 2019/3/1

N2 - Local structural and electronic properties around Fe in multi-component Cd0.99Fe0.01Te0.97S0.03 system were studied by means of X-ray absorption fine structure (XAFS). Composition of non-polar (110) surfaces of Cd0.97Fe0.03Te and Cd0.99Fe0.01Te0.97S0.03 systems and mechanism of their oxidation in ambient conditions were studied by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). It has been found that Fe preferentially substitutes Cd, but due to much smaller covalent radius and preferences for paring with S, it causes local distortion of the host CdTe lattice. The distortion is confined to the Fe-immediate surrounding and the second and third coordination shell atoms are (inside experimental uncertainties) placed at distances expected in CdTe. Although local structure around Fe is well defined in the bulk of both samples, their near-surface region is completely depleted from Fe, and in case of Cd0.99Fe0.01Te0.97S0.03 somewhat enriched in S. Special attention is, therefore, paid to characterization of the near-surface region and evaluation of its composition and structure. To that end we have introduced a general standard-free algorithm for XPS data analysis of the two-layer surface structure (bulk, oxide layer, and the impurity layer). Results of the in-depth composition analysis revealed that despite different bulk composition and impurity layer thickness, underneath the topmost impurity layer lays approximately one monolayer of CdTeO3 which passivates the surface.

AB - Local structural and electronic properties around Fe in multi-component Cd0.99Fe0.01Te0.97S0.03 system were studied by means of X-ray absorption fine structure (XAFS). Composition of non-polar (110) surfaces of Cd0.97Fe0.03Te and Cd0.99Fe0.01Te0.97S0.03 systems and mechanism of their oxidation in ambient conditions were studied by Atomic Force Microscopy (AFM) and X-ray Photoelectron Spectroscopy (XPS). It has been found that Fe preferentially substitutes Cd, but due to much smaller covalent radius and preferences for paring with S, it causes local distortion of the host CdTe lattice. The distortion is confined to the Fe-immediate surrounding and the second and third coordination shell atoms are (inside experimental uncertainties) placed at distances expected in CdTe. Although local structure around Fe is well defined in the bulk of both samples, their near-surface region is completely depleted from Fe, and in case of Cd0.99Fe0.01Te0.97S0.03 somewhat enriched in S. Special attention is, therefore, paid to characterization of the near-surface region and evaluation of its composition and structure. To that end we have introduced a general standard-free algorithm for XPS data analysis of the two-layer surface structure (bulk, oxide layer, and the impurity layer). Results of the in-depth composition analysis revealed that despite different bulk composition and impurity layer thickness, underneath the topmost impurity layer lays approximately one monolayer of CdTeO3 which passivates the surface.

KW - II–VI semiconductors

KW - Iron impurity

KW - Oxidation

KW - XAS

KW - XPS

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U2 - 10.1016/j.susc.2018.11.007

DO - 10.1016/j.susc.2018.11.007

M3 - Article

VL - 681

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EP - 86

JO - Surface Science

JF - Surface Science

SN - 0039-6028

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Bundaleski N, Radisavljević I, Ivanović N, Rakočević Z, Medić Ilić M, Romčević N et al. Local, electronic and surface structure of multi-component Fe-doped CdTe(S) systems. Surface Science. 2019 Mar 1;681:76-86. https://doi.org/10.1016/j.susc.2018.11.007