Growth, defect structure, and THz application of stoichiometric lithium niobate
Owing to the extraordinary richness of its physical properties, congruent lithium niobate has
attracted multidecade-long interest both for fundamental science and applications. The …
attracted multidecade-long interest both for fundamental science and applications. The …
Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations
We study the chemical expansion for neutral and charged oxygen vacancies in fluorite,
rocksalt, perovskite and pyrochlores materials using first principles calculations. We show …
rocksalt, perovskite and pyrochlores materials using first principles calculations. We show …
Spectrally resolved spatiotemporal features of quantum paths in high-order-harmonic generation
We experimentally disentangle the contributions of different quantum paths in high-order-
harmonic generation (HHG) from the spectrally and spatially resolved harmonic spectra. By …
harmonic generation (HHG) from the spectrally and spatially resolved harmonic spectra. By …
Defect complexes in congruent and their optical signatures
Y Li, WG Schmidt, S Sanna - Physical Review B, 2015 - APS
The structure and stability of defect clusters in LiNbO 3, as well as their influence on the
linear and nonlinear optical susceptibilities, are calculated within density functional theory …
linear and nonlinear optical susceptibilities, are calculated within density functional theory …
Polaronic deformation at the impurity site in crystals
Iron doped LiNbO 3 crystals with different iron valence states are investigated. An extended
x-ray absorption fine structure (EXAFS) spectroscopy study highlights evident changes in the …
x-ray absorption fine structure (EXAFS) spectroscopy study highlights evident changes in the …
New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies
In the present work, the behavior of He in the MAX phase Ti 3 AlC 2 material is investigated
using first-principle methods. It is found that, according to the predicted formation energies, a …
using first-principle methods. It is found that, according to the predicted formation energies, a …
Li Self-Diffusivities in Lithium Niobate Single Crystals as a Function of Li2O Content
J Rahn, P Heitjans, H Schmidt - The Journal of Physical Chemistry …, 2015 - ACS Publications
Li self-diffusion is investigated in LiNbO3 single crystals at temperatures below 773 K by
tracer diffusion experiments. Compared are single crystals with 49.9 mol% Li2O (near …
tracer diffusion experiments. Compared are single crystals with 49.9 mol% Li2O (near …
Influence of defects and domain walls on dielectric and mechanical resonances in LiNbO3
Monodomain and periodically poled LiNbO 3 crystals (congruent composition) show
dielectric and piezoelectric resonances between 100 K and 900 K. Dielectric measurements …
dielectric and piezoelectric resonances between 100 K and 900 K. Dielectric measurements …
Investigation of defect structure of impurity-doped lithium niobate by combining thermodynamic constraints with lattice constant variations
C Koyama, J Nozawa, K Maeda, K Fujiwara… - Journal of applied …, 2015 - pubs.aip.org
Investigation of defect structure of impurity-doped lithium niobate by combining thermodynamic
constraints with lattice constant variations | Journal of Applied Physics | AIP Publishing Skip to …
constraints with lattice constant variations | Journal of Applied Physics | AIP Publishing Skip to …
Point Defects and Defect-Induced Optical Response in Ternary LiInSe2 Crystals: First-Principles Insight
Y Li, X Zhao, X Cheng - The Journal of Physical Chemistry C, 2015 - ACS Publications
Many experiments on LiInSe2 (LISe), a technologically important nonlinear optical crystal,
suggest that nonstoichiometric defects play an important role in changing the crystal color …
suggest that nonstoichiometric defects play an important role in changing the crystal color …