| 1. |
- Coomer, B.J., et al.
(författare)
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Vacancy-hydrogen complexes in germanium
- 1998
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Ingår i: E-MRS Meeting. - : European Materials Research Society.
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Konferensbidrag (refereegranskat)abstract
- Local-density-functional pseudopotential theory is used to investigate the structural, electronic and vibrational properties of vacancy-hydrogen complexes in germanium. The results are compared with recent infrared absorption data from proton and deuteron implanted Ge. The acceptor and donor levels of the VH defects are derived semi-empirically from the relaxed structures
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| 2. |
- Coomer, B.J., et al.
(författare)
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Vacancy-hydrogen complexes in germanium
- 1999
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Ingår i: Materials Science & Engineering. - 0921-5107 .- 1873-4944. ; 58:1-2, s. 36-38
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Tidskriftsartikel (refereegranskat)abstract
- Local-density-functional pseudopotential theory is used to investigate the structural, electronic and vibrational properties of vacancy-hydrogen complexes in germanium. The results are compared with recent infrared absorption data from proton and deuteron implanted Ge. The acceptor and donor levels of the VHn defects are derived semi-empirically from the relaxed structures
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| 3. |
- Budde, M., et al.
(författare)
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Identification of the hydrogen-saturated self-interstitials in silicon and germanium
- 1998
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 57:18, s. 4397-4412
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Tidskriftsartikel (refereegranskat)abstract
- Silicon and germanium single crystals are implanted with protons. The infrared-absorption spectra of the samples contain sharp absorption lines due to the excitation of hydrogen-related local vibrational modes. The lines at 743.1, 748.0, 1986.5, and 1989.4 cm-1 in silicon and at 700.3, 705.5, 1881.8, and 1883.5 cm-1 in germanium originate from the same defect in the two materials. Measurements on samples coimplanted with protons and deuterons show that the defect contains two equivalent hydrogen atoms. Uniaxial stress measurements are carried out and a detailed analysis of the results is presented. It is shown that the defect has monoclinic-II symmetry, and the orientations of the Si-H and Ge-H bonds of the defect are determined. Ab initio local-density-functional theory is used to calculate the structure and local vibrational modes of the self-interstitial binding one and two hydrogen atoms in silicon and germanium together with the structure of the self-interstitial itself. The observed properties of the defect are in excellent agreement with those calculated for the self-interstitial binding two hydrogen atoms.
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| 4. |
- Budde, M., et al.
(författare)
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The hydrogen-saturated self-interstitial in silicon and germanium
- 1997
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Ingår i: Defects in semiconductors. - : Trans Tech Publications Inc.. ; , s. 35-40
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Konferensbidrag (refereegranskat)abstract
- Infrared absorption spectroscopy is used to study H-related point defects in H+-implanted Si (Si:H) and Ge (Ge:H). The absorption lines at 743.1, 748.0, 1986.5 and 1989.4 cm-1 in Si:H and at 700.3, 705.5, 1881.8 and 1883.5 cm-1 in Ge:H are shown to originate from the same defect containing two equivalent H atoms. Uniaxial stress experiments show that the defects have monoclinic-II symmetry, and the orientations of the two Si-H or Ge-H bonds are determined. The structure and the local vibrational modes of the self-interstitial binding two H atoms (IH2) are calculated with LDF cluster theory. The symmetry, bond-orientations and isotopic frequency-shifts calculated for IH2 are in excellent agreement with those observed for the 743.1-, 748.0-, 1986.5- and 1989.4-cm-1 modes in Si:H and for the 700.3-, 705.5-, 1881.8- and 1883.5-cm-1 modes in Ge:H.
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| 5. |
- Hoffmann, L., et al.
(författare)
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Substitutional carbon in Ge and Si1-xGex
- 1997
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Ingår i: Defects in semiconductors. - : Trans Tech Publications Inc.. ; , s. 97-102
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Konferensbidrag (refereegranskat)abstract
- In the present work, carbon is implanted into monocrystalline Ge and into relaxed epitaxial MBE-grown Si1-xGex. The samples are studied with infrared absorption spectroscopy along with ion-channeling studies on the Ge samples. Finally, ab-initio local density functional cluster theory is applied to calculate the structure and the local vibrational modes of substitutional carbon, Cs, in Ge. After implantation of 12C+ in Ge at room temperature and subsequent annealing at 350°C, a sharp absorption line is observed at 531 cm-1. By isotope substitution, it is concluded that the 531 cm-1 line represents a local vibrational mode of a single carbon atom. From ion-channeling measurements on samples annealed at 450°C, it is found that 31±3 % of the carbon atoms are located at substitutional sites. The population of the substitutional site and the intensity of the 531 cm-1 mode have identical annealing behavior and it is concluded that the 531 cm-1 mode is the three-dimensional T2 stretch mode of Cs in Ge. The calculated frequency and isotope shift for this mode are in good agreement with the observations. In Si0.65Ge0.35, two broad absorption lines are observed at ∼551 and ∼592 cm-1 after implantation of 12C+ and subsequent annealing at 550°C. From measurements on samples implanted with 13C+ and coimplanted with 12C+ and 13C+ we conclude that these lines represent local vibrational modes of defects containing a single carbon atom. In 13C+ implanted Si1-xGex samples that contain 15 to 50 % Ge a number of modes are observed in a frequency range from ∼510 to ∼610 cm-1, i.e., in the range of Cs in Ge and in Si. From the experimental findings it is concluded that substitutional carbon in Si1-xGex binds to both Si and Ge.
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| 6. |
- Hoffmann, L., et al.
(författare)
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Substitutional carbon in germanium
- 1997
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Ingår i: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 55:17, s. 11167-11173
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Tidskriftsartikel (refereegranskat)abstract
- Carbon impurities implanted into single-crystalline germanium are studied with infrared absorption spectroscopy and ion channeling. After implantation of 12C+ at room temperature and subsequent annealing at 350 °C, a sharp infrared absorption line is observed at 531 cm-1. When 12C+ is substituted by 13C+, the line shifts down in frequency to 512 cm-1 and co-implantation of 12C+ and 13C+ does not give rise to additional lines. Therefore, the 531-cm-1 line represents a local vibrational mode of a defect containing a single carbon atom. Channeling measurements are carried out around the 〈100〉, 〈110〉, and 〈111〉 axes in 12C+-implanted samples annealed at 450 °C. The analysis of the data shows that 31±3 % of the carbon atoms are located at substitutional sites, while the remaining carbon atoms appear to be located randomly. The population of the substitutional site and the intensity of the 531-cm-1 mode have identical temperature dependencies. It is concluded that the 531-cm-1 mode is the three-dimensional T2 stretch mode of substitutional carbon. The effective charge of the mode is determined to be (3.4±0.5)e.mAb initio local density functional cluster theory is applied to calculate the structure and the local vibrational modes of substitutional carbon in germanium. The calculated frequencies and isotope shifts for the T2 stretch mode are in good agreement with the observations.
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| 7. |
- Hoffmann, L., et al.
(författare)
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Substitutional carbon in Si1-xGex
- 1999
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 60:19, s. 13573-13581
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Tidskriftsartikel (refereegranskat)abstract
- Local vibrational modes of carbon impurities in relaxed Si1-xGex have been studied with infrared absorption spectroscopy in the composition range 0.05≤x≤0.50. Carbon modes with frequencies in the range 512-600 cm-1 are observed in 13C+-implanted Si1-xGex after annealing at 550°C. Measurements on samples coimplanted with 12C+ and 13C+ show that these modes originate from defects containing a single carbon atom and from the variation of the mode frequencies with composition x, the modes are assigned to substitutional carbon in Si1-xGex. Based on the frequencies obtained from a simple vibrational model, the observed modes are assigned to specific combinations of the four Si and Ge neighbors to the carbon. The intensities of the modes indicate that the combination of the four neighbors deviates from a random distribution. Ab initio local-density-functional cluster theory has been applied to calculate the structure and the local mode frequencies of substitutional carbon with n Ge and 4-n Si neighbors in a Si and a Ge cluster. The calculated frequencies are ∼9% higher than those observed, but the ordering and the splitting of the mode frequencies agree with our assignments.
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| 8. |
- Leary, P, et al.
(författare)
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Dynamic properties of interstitial carbon and carbon-carbon pair defects in silicon
- 1997
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Ingår i: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 55:4, s. 2188-2194
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Tidskriftsartikel (refereegranskat)abstract
- Interstitial carbon, Ci, defects in Si exhibit a number of unexplained features. The Ci defect in the neutral charge state gives rise to two almost degenerate vibrational modes at 920 and 931 cm-1 whose 2:1 absorption intensity ratio naturally suggests a trigonal defect in conflict with uniaxial stress measurements. The dicarbon, Cs-Ci, defect is bistable, and the energy difference between its A and B forms is surprisingly small even though the bonding is very different. In the B form appropriate to the neutral charge state, a silicon interstitial is believed to be located near a bond-centered site between two Cs atoms. This must give rise to vibrational modes which involve the motion of both C atoms in apparent conflict with the results of photoluminescence experiments. We use an ab initio local density functional cluster method, AIMPRO, to calculate the structure and vibrational modes of these defects and find that the ratio of the absorption intensities of the local modes of Ci is in reasonable agreement with experiment even though the structure of the defect is not trigonal. We also show that modes in the vicinity of those detected by photoluminescence for the B form of the dicarbon center involve independent movements of the two C atoms. Finally, the trends in the relative energies of the A and B forms in three charge states are investigated.
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