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Strain and stress r...
Strain and stress relationships for optical phonon modes in monoclinic crystals with beta-Ga2O3 as an example
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- Korlacki, R. (författare)
- Univ Nebraska, NE 68588 USA
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- Stokey, M. (författare)
- Univ Nebraska, NE 68588 USA
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- Mock, A. (författare)
- NRC Res Associateship Programs, DC 20001 USA
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- Knight, S. (författare)
- Univ Nebraska, NE 68588 USA
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- Papamichail, Alexis (författare)
- Linköpings universitet,Halvledarmaterial,Tekniska fakulteten
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- Darakchieva, Vanya (författare)
- Linköpings universitet,Halvledarmaterial,Tekniska fakulteten
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- Schubert, Mathias (författare)
- Linköpings universitet,Halvledarmaterial,Tekniska fakulteten,Univ Nebraska, NE 68588 USA; Leibniz Inst Polymer Res Dresden, Germany
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(creator_code:org_t)
- AMER PHYSICAL SOC, 2020
- 2020
- Engelska.
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 102:18
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Strain-stress relationships for physical properties are of interest for heteroepitaxial material systems, where strain and stress are inherent due to thermal expansion and lattice mismatch. We report linear perturbation theory strain and stress relationships for optical phonon modes in monoclinic crystals for strain and stress situations which maintain the monoclinic symmetry of the crystal. By using symmetry group analysis and phonon frequencies obtained under various deformation scenarios from density-functional perturbation theory calculations on beta-Ga2O3, we obtain four strain and four stress potential parameters for each phonon mode. We demonstrate that these parameters are sufficient to describe the frequency shift of the modes regardless of the stress or strain pattern which maintain the monoclinic symmetry of the crystal. The deformation potentials can be used together with experimentally determined phonon frequency parameters from Raman or infrared spectroscopy to evaluate the state of strain or stress of beta-Ga2O3, for example, in epitaxial heterostructures.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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