skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Hydrogen-related complexes in Li-diffused ZnO single crystals

Abstract

Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li{sub 2}O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>10{sup 19 }cm{sup −3}). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm{sup −1}, attributed to surface O-H species. When Li{sub 2}CO{sub 3} is used, a structured blue luminescence band and O-H mode at 3327 cm{sup −1} are observed at 10 K. These observations, along with positron annihilation measurements, suggest a zinc vacancy–hydrogen complex, with an acceptor level ∼0.3 eV above the valence-band maximum. This relatively shallow acceptor could be beneficial for p-type ZnO.

Authors:
 [1]; ;  [2];  [1];  [3]
  1. Materials Science and Engineering Program, Washington State University, Pullman, Washington 99164-2814 (United States)
  2. Center for Materials Research, Washington State University, Pullman, Washington 99164-2814 (United States)
  3. (United States)
Publication Date:
OSTI Identifier:
22597770
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 120; Journal Issue: 3; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANNIHILATION; CONCENTRATION RATIO; DEFECTS; DOPED MATERIALS; HYDROGEN; HYDROGEN COMPLEXES; LITHIUM; LITHIUM CARBONATES; LITHIUM OXIDES; LUMINESCENCE; MIXTURES; MONOCRYSTALS; POSITRONS; SEMICONDUCTOR MATERIALS; SURFACES; VACANCIES; VALENCE; ZINC; ZINC OXIDES

Citation Formats

Corolewski, Caleb D., Parmar, Narendra S., Lynn, Kelvin G., McCluskey, Matthew D., E-mail: mattmcc@wsu.edu, and Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164-2814. Hydrogen-related complexes in Li-diffused ZnO single crystals. United States: N. p., 2016. Web. doi:10.1063/1.4959106.
Corolewski, Caleb D., Parmar, Narendra S., Lynn, Kelvin G., McCluskey, Matthew D., E-mail: mattmcc@wsu.edu, & Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164-2814. Hydrogen-related complexes in Li-diffused ZnO single crystals. United States. doi:10.1063/1.4959106.
Corolewski, Caleb D., Parmar, Narendra S., Lynn, Kelvin G., McCluskey, Matthew D., E-mail: mattmcc@wsu.edu, and Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164-2814. 2016. "Hydrogen-related complexes in Li-diffused ZnO single crystals". United States. doi:10.1063/1.4959106.
@article{osti_22597770,
title = {Hydrogen-related complexes in Li-diffused ZnO single crystals},
author = {Corolewski, Caleb D. and Parmar, Narendra S. and Lynn, Kelvin G. and McCluskey, Matthew D., E-mail: mattmcc@wsu.edu and Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164-2814},
abstractNote = {Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li{sub 2}O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>10{sup 19 }cm{sup −3}). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm{sup −1}, attributed to surface O-H species. When Li{sub 2}CO{sub 3} is used, a structured blue luminescence band and O-H mode at 3327 cm{sup −1} are observed at 10 K. These observations, along with positron annihilation measurements, suggest a zinc vacancy–hydrogen complex, with an acceptor level ∼0.3 eV above the valence-band maximum. This relatively shallow acceptor could be beneficial for p-type ZnO.},
doi = {10.1063/1.4959106},
journal = {Journal of Applied Physics},
number = 3,
volume = 120,
place = {United States},
year = 2016,
month = 7
}
  • Cited by 4
  • Zinc oxide (ZnO) is a wide band gap semiconductor and a potential candidate for next generation white solid state lighting applications. In this work, hydrogen-related complexes in lithium diffused ZnO single crystals were studied. In addition to the well-known Li-OH complex, several other hydrogen defects were observed. When a mixture of Li 2O and ZnO is used as the dopant source, zinc vacancies are suppressed and the bulk Li concentration is very high (>10 19 cm -3). In that case, the predominant hydrogen complex has a vibrational frequency of 3677 cm -1, attributed to surface O-H species. When Li 2COmore » 3 is used, a structured blue luminescence band and O-H mode at 3327 cm -1 are observed at 10K. These observations, along with positron annihilation measurements, suggest a zinc vacancy–hydrogen complex, with an acceptor level 0.3 eV above the valence-band maximum. In conclusion, this relatively shallow acceptor could be beneficial for p-type ZnO.« less
  • The incorporation of atomic hydrogen into crystal line semiconductors (Si, Ge, GaAs, and others) may lead to passivation of electrically and optically active centers because of the formation of neutral hydrogen-containing complexes (HCCs). In addition, the feasibility of the formation of radiative HCCs was also mentioned. In this paper, we report on the experimental studies of HCC dissociation under 10- to 50-keV electron irradiation of H-plasma-annealed ZnTe single crystals. In earlier cathodoluminescence (CL) studies new bands related to the incorporated hydrogen were found in the spectra of these single crystals.
  • We have investigated the saturation phenomenon of the free carrier concentration in {ital p}-type GaAs and InP single crystals doped by zinc diffusion. The free hole saturation occurs at 10{sup 20} cm{sup {minus}3} for GaAs, but the maximum concentration for InP appears at mid 10{sup 18} cm{sup {minus}3}. The difference in the saturation hole concentrations for these materials is investigated by studying the incorporation and the lattice location of the impurity zinc, an acceptor when located on a group III atom site. Zinc is diffused into the III-V wafers in a sealed quartz ampoule. Particle-induced x-ray emission with ion-channeling techniquesmore » are employed to determine the exact lattice location of the zinc atoms. We have found that over 90% of all zinc atoms occupy Ga sites in the diffused GaAs samples, while for the InP case, the zinc substitutionality is dependent on the cooling rate of the sample after high-temperature diffusion. For the slowly cooled sample, a large fraction ({similar to}90%) of the zinc atoms form random precipitates of Zn{sub 3}P{sub 2} and elemental Zn. However, when rapidly cooled only 60% of the zinc forms such precipitates while the rest occupies specific sites in the InP. We analyze our results in terms of the amphoteric native defect model. We show that the difference in the electrical activity of the Zn atoms in GaAs and InP is a consequence of the different location of the Fermi level stabilization energy in these two materials.« less
  • The FTIR spectra of [Os{sub 2}(CO){sub 8}({mu}{sub 2}-{eta}{sup 1},{eta}{sup 1}-C{sub 2}H{sub 3}CH{sub 3})] and of its methyl-d{sub 3} and d{sub 6} isotopologues have been measured and assigned. Comparison of these vibrational data with previously published EELS and RAIRS studies of propene chemisorbed on Pt(111) and Ni(111) at low temperatures indicates that, on these surfaces, the propene species are chemisorbed via a ({mu}{sub 2}-P{eta}{sup 1},{eta}{sup 1}-C{sub 2}H{sub 3}CH{sub 3}) bonding mode. However, differences in the intensity patterns between the spectra of the adsorbed species compared with that of the model compound imply additional twisting or tilting with respect to the surface.more » Assignment of the FTIR spectra of the corresponding 1-butene and trans-2-butene complexes [Os{sub 2}(CO){sub 8}({mu}{sub 2}-{eta}{sup 1},{eta}{sup 1}-C{sub 2}H{sub 3}C{sub 2}H{sub 5})] and [Os{sub 2}(CO){sub 8}({mu}{sub 2}{eta}{sup 1},{eta}{sup 1}-CH{sub 3}C{sub 2}H{sub 2}CH{sub 3})] indicates similar bonding modes for chemisorbed 1-butene and trans-2-butene on Pt(111). Infrared data for the mononuclear propene complex [Os(CO){sub 4}({eta}{sup 2}-C{sub 2}H{sub 3}CH{sub 3})], on the other hand, are in good agreement with published EEL data for propene on Ru(0001) and Rh(111), indicating that at low temperatures on these surfaces, propene is chemisorbed as a methyl-substituted metallacyclopropane-like species. These bonding modes are analogous to those established for low-temperature ethene chemisorption on these surfaces.« less