DFT and experimental FTIR investigations of early stages of (0 0 1) and (1 1 1)B GaAs surface nitridation
| Autor: | Christine Robert-Goumet, Guillaume Monier, Stefan Kubsky, Hussein Mehdi, D. Paget, Philip E. Hoggan, Luc Bideux, Paul Dumas |
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| Přispěvatelé: | Institut Pascal (IP), SIGMA Clermont (SIGMA Clermont)-Université Clermont Auvergne [2017-2020] (UCA [2017-2020])-Centre National de la Recherche Scientifique (CNRS), Laboratoire des sciences et matériaux pour l'électronique et d'automatique (LASMEA), Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de physique de la matière condensée (LPMC), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), UFR Sciences et Technologies - Clermont-Ferrand (UFR ST - UBP), Université Blaise Pascal - Clermont-Ferrand 2 (UBP), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), SIGMA Clermont (SIGMA Clermont)-Centre National de la Recherche Scientifique (CNRS)-Université Clermont Auvergne [2017-2020] (UCA [2017-2020]) |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
Annealing (metallurgy) General Physics and Astronomy Synchrotron radiation 02 engineering and technology Crystal structure 010402 general chemistry 01 natural sciences Molecular physics law.invention law Normal mode [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics Spectroscopy ComputingMilieux_MISCELLANEOUS Surfaces and Interfaces General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Synchrotron 0104 chemical sciences Surfaces Coatings and Films Amorphous solid [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] Density functional theory 0210 nano-technology |
| Zdroj: | Applied Surface Science Applied Surface Science, Elsevier, 2019, 465, pp.787-794. ⟨10.1016/j.apsusc.2018.09.244⟩ Applied Surface Science, 2019, 465, pp.787-794. ⟨10.1016/j.apsusc.2018.09.244⟩ |
| ISSN: | 0169-4332 |
| Popis: | The aim of the present work is to perform Attenuated Total Reflectance-Fourier Transform Infra-Red spectroscopy (ATR-FTIR) investigations during N2 plasma treatment of GaAs surfaces at 500 °C inside an UHV chamber using the high intensity light of SOLEIL synchrotron at SMIS beamline. Moreover this work uses the complementarities of Density Functional Theory (DFT) normal-mode frequency calculations with ATR-FTIR measurements to assist in the assignment of vibrations involving bonds to nitrogen atoms, especially by rendering the GaN layer partially amorphous (by removing the crystal symmetry constraint, using Car Parrinello dynamics to simulate annealing in geometry optimization). s and p polarizations were used to study the evolution of the different GaN vibrations during the nitridation of GaAs for two surface orientations (0 0 1) and (1 1 1)B. Results show that normal stretch vibrations are always detected at the same frequency matching the DFT calculated values very well, whereas other vibration modes (bridge symmetric and asymmetric stretches for (0 0 1) GaAs and tripod symmetric and asymmetric stretches for (1 1 1)B GaAs) induced by the non-crystallinity of the GaN layer exhibit variable frequencies. Furthermore evolutions of these frequencies with the nitridation time provide much information on bond creations, especially at the very beginning of the process. |
| Databáze: | OpenAIRE |
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