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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Junquera, Javier
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Publications (6/6 displayed)
- 2022Layered gallium sulfide optical properties from monolayer to CVD crystalline thin filmscitations
- 2022Inherent Spin–Polarization Coupling in a Magnetoelectric Vortexcitations
- 2018Emergent chirality in the electric polarization texture of titanate superlatticescitations
- 2016Positive Effect of an Internal Depolarization Field in Ultrathin Epitaxial Ferroelectric Filmscitations
- 2010Nonlinear optical properties of TeO$_2$ crystalline phases from first principlescitations
- 2010Nonlinear optical properties of TeO$_2$ crystalline phases from first principles ...
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article
Nonlinear optical properties of TeO$_2$ crystalline phases from first principles ...
Abstract
We have computed second and third nonlinear optical susceptibilities of two crystalline bulk tellurium oxide polymorphs: $α$-TeO$_{2}$ (the most stable crystalline bulk phase) and $γ$-TeO$_{2}$ (the crystalline phase that ressembles the more to the glass phase. Third order nonlinear susceptibilities of the crystalline phases are two orders of magnitude larger than $α$-SiO$_{2}$ cristoballite, thus extending the experimental observations on glasses to the case of crystalline compounds. While the electronic lone pairs of Te contribute to those large values, a full explanation of the anisotropy of the third order susceptibility tensor requires a detailed analysis of the structure, in particular the presence of helical chains, that seems to be linked to cooperative non-local polarizabilty effects. Our results demonstrate that first-principles simulations are a powerful predictive tool to estimate nonlinear optical susceptibilitites of materials. ... : 12 pages, 6 figures. Typos in Eq.(9) and Eq. (12) corrected ...