Defect formation and thermal stability of H in high dose H implanted ZnO

Chan, Keng Siew; Vines, Lasse; Johansen, K. M.; Monakhov, Edouard; Ye, J.D; Parkinson, Patrick; Jagadish, Chennupati; Svensson, B. G.; Wong‐Leung, Jennifer

doi:10.1063/1.4819216

Cited by 20 publications

(7 citation statements)

References 67 publications

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“…The formation of one-, two-and three-dimensional voids filled with hydrogen during the crystal growth [69] or after proton implantation [70,71] was reported in the literature. Zinc vacancies formed via ion bombardment were found to coalesce into the bubbles filled with hydrogen after annealing at temperatures 200 • C-500 • C [70].…”

Section: F Position In the Latticementioning

confidence: 90%

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Towards understanding the hydrogen molecule in ZnO

2014

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The hydrogen molecule H 2 (or "hidden" hydrogen) in ZnO is studied by Raman scattering spectroscopy. It is shown that H 2 is practically a free rotator stable up to 700 • C, which is formed by two mobile interstitial hydrogen atoms. The concentration profile of the hydrogen molecule anticorrelates with hydrogen substituting for oxygen (H O ) created at the sample surface during the high temperature hydrogenation. The H 2 dissociation at elevated temperatures in the bulk regenerates interstitial (H BC ) hydrogen, whereas the formation of H O and hydrogen out-diffusion are dominant decay channels of the molecule near the surface. The latter mechanisms are responsible for the lower stability of H 2 in the subsurface region. An ortho-para conversion between the nuclear spin states 1 and 0 of the molecule at 79 K was found to occur within 7.5 h, whereas the back conversion at room temperature occurs faster than 0.5 h. A shift in frequency of the H 2 local vibrational mode with annealing time and temperature is associated with the thermal anneal of lattice imperfections. The coupling of transitions between rotational states of the molecule and lattice phonons influences the ro-vibrational properties. Interstitial lattice sites and/or larger vacancy clusters are preferred trapping centers for H 2 in ZnO.

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Section: F Position In the Latticementioning

confidence: 90%

“…Further treatments at higher temperatures releases the hydrogen from those traps. It was also shown, that subsequent annealing results in a significant decrease of lattice strain [71]. Recently, zinc vacancy-related defects were shown to be formed after annealing ZnO in oxygen or nitrogen atmosphere above 900 • C [72].…”

Section: F Position In the Latticementioning

confidence: 98%

Towards understanding the hydrogen molecule in ZnO

2014

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“…Chan et al . observed a lattices elongating of ZnO along c-axis and stabilization of H by defect complexes, such as H O and/or Li Zn -OH 15 . They also observed a more efficient damage recovery in the samples implanted with higher dose.…”

Section: Introductionmentioning

confidence: 96%

“…Compared with other ion implantation, H ion implantation is still an active topic because H plays a significant role in conductivity of ZnO and it is unavoidably introduced during material growth and processing 6,7 . Most studies concentrate on H ion implantation effects on properties of bulk ZnO crystals 7,15–18 . Heinhold et al .…”

Section: Introductionmentioning

confidence: 99%

Evolution of native defects in ZnO nanorods irradiated with hydrogen ion

Wang

Zheng

et al. 2019

Sci Rep

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This work reports the study on the evolution of native defects in ZnO nanorods irradiated with hydrogen ion. ZnO nanorod arrays grown vertically on silicon substrates were irradiated by 180 keV H+ ions to a total fluence of 8.50 × 1015 ions/cm2. The X-ray diffraction spectra, photoluminescence spectra before and after irradiation and the real-time ionoluminescence spectra of the nanorod arrays during the irradiating process were measured. Formation and evolution of defects during H+ ion irradiation and effects of irradiation on the crystal structure and optical property were studied. Blue shift of exciton emission, shrink of lattice c and improvement of the crystallinity of ZnO nanorods after irradiation were observed. Simple surface passivation of the nanorods could improve the radiation resistance. Formation and evolution of the defects during H+ ion irradiation could be clarified into four stages and the related models are provided.

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“…Thus, divacancies may diffuse at relatively low temperatures and form larger vacancy clusters 19 or other complexes17 . Indeed, formation of vacancy clusters in ZnO has been reported in several experimental studies15,16,49 .…”

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confidence: 91%

Negative-Uand polaronic behavior of the Zn-O divacancy in ZnO

et al. 2019

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Hybrid functional calculations reveal the Zn-O divacancy in ZnO, consisting of adjacent Zn and O vacancies, as an electrically active defect exhibiting charge states ranging from 2+ to 2− within the band gap. Notably, the divacancy retains key features of the monovacancies, namely the negative-U behavior of the O vacancy, and the polaronic nature of the Zn vacancy. The thermodynamic chargestate transition levels associated with the negative-U behavior ε(0/2−), ε(−/2−) and ε(0/−) are predicted to occur at 0.22, 0.42 and 0.02 eV below the conduction band minimum, respectively, resulting in U = −0.40 eV. These transition levels are moved closer to the conduction band and the magnitude of U is lowered compared to the values for the O vacancy. Further, the interaction with hydrogen has been explored, where it is shown that the divacancy can accommodate up to three H atoms. The first two H atoms prefer to terminate O dangling bonds at the Zn vacancy, while the geometrical location of the third depends on the Fermi-level position. The calculated electrical properties of the divacancy are in excellent agreement with those reported for the E4 center observed by deep-level transient spectroscopy, challenging the O vacancy as a candidate for this level. arXiv:1905.06210v1 [cond-mat.mtrl-sci] 15 May 2019 1. Electronic and structural properties, and stability

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Defect formation and thermal stability of H in high dose H implanted ZnO

Cited by 20 publications

References 67 publications

Towards understanding the hydrogen molecule in ZnO

Towards understanding the hydrogen molecule in ZnO

Evolution of native defects in ZnO nanorods irradiated with hydrogen ion

Negative-Uand polaronic behavior of the Zn-O divacancy in ZnO

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