Effect of Defects on Spontaneous Polarization in Pure and Doped LiNbO3: First-Principles Calculations

Numerous studies have indicated that intrinsic defects in lithium niobate (LN) dominate its physical properties. In an Nb-rich environment, the structure that consists of a niobium anti-site with four lithium vacancies is considered the most stable structure. Based on the density functional theory (DFT), the specific configuration of the four lithium vacancies of LN were explored. The results indicated the most stable structure consisted of two lithium vacancies as the first neighbors and the other two as the second nearest neighbors of Nb anti-site in pure LN, and a similar stable structure was found in the doped LN. We found that the defects dipole moment has no direct contribution to the crystal polarization. Spontaneous polarization is more likely due to the lattice distortion of the crystal. This was verified in the defects structure of Mg2+, Sc3+, and Zr4+ doped LN. The conclusion provides a new understanding about the relationship between defect clusters and crystal polarization

Enhancement of Photorefraction in Vanadium-Doped Lithium Niobate through Iron and Zirconium Co-Doping

A series of mono-, double-, and tri-doped LiNbO3 crystals with vanadium were grown by Czochralski method, and their photorefractive properties were investigated. The response time for 0.1 mol% vanadium, 4.0 mol% zirconium, and 0.03 wt.% iron co-doped lithium niobate crystal at 488 nm was shortened to 0.53 s, which is three orders of magnitude shorter than the mono-iron-doped lithium niobate, with a maintained high diffraction efficiency of 57% and an excellent sensitivity of 9.2 cm/J. The Ultraviolet-visible (UV-Vis) and OH− absorption spectra were studied for all crystals tested. The defect structure is discussed, and a defect energy level diagram is proposed. The results show that vanadium, zirconium, and iron co-doped lithium niobate crystals with fast response and a moderately large diffraction efficiency can become another good candidate material for 3D-holographic storage and dynamic holography applications

Enhanced photorefractive properties of indium co-doped LiNbO3:Mo crystals

We grew a set of indium and molybdenum co-doped lithium niobate crystals with various indium doping concentrations and investigated their photorefractive properties at different wavelengths (442, 488 and 532 nm). It was found that the diffraction efficiency of 1.0 mol% indium and 0.5 mol% molybdenum co-doped lithium niobate crystal could reach 61.57% at 488 nm. Moreover for 3.0 mol% indium and 0.5 mol% molybdenum co-doped lithium niobate crystal, the response time was greatly shortened to 0.61, 0.76, and 0.74 s at 442, 488, and 532 nm, respectively, while the photorefractive sensitivity reached as high as 7.35 cm/J at 442 nm. These results indicate that co-doping of indium is an efficient way to further enhance the photorefractive properties of molybdenum-doped lithium niobate crystal

Improvement in the Photorefractive Response Speed and Mechanism of Pure Congruent Lithium Niobate Crystals by Increasing the Polarization Current

A series of pure congruent lithium niobate (LiNbO3, CLN) crystals were grown and directly polarized under different electric currents in the growth furnace. Their holographic properties were investigated from the ultraviolet to the visible range. The response time shortened, whereas the diffraction efficiency increased incrementally with the electric current. In particular, the response time of CLN polarized under 100 mA can be reduced by a factor of 10 with a still high saturation diffraction efficiency of about 40.8% at 351 nm. Moreover, its response speed improved by 60 times and 10 times for 473 and 532 nm laser, respectively. The light erasing behavior implies that at least two kinds of photorefractive centers exist in the crystals. Increasing the polarization current induces two pronounced UV absorption peaks and a wide visible absorption peak in CLN crystals. The diffusion effect dominates the photorefractive process and electrons are the dominant carriers. The possible mechanism for the fast photorefractive response is discussed. Increasing the polarization electric current is an effective method to improve the photorefractive response of LN crystal

P-Type Lithium Niobate Thin Films Fabricated by Nitrogen-Doping

Nitrogen-doped lithium niobate (LiNbO3:N) thin films were successfully fabricated on a Si-substrate using a nitrogen plasma beam supplied through a radio-frequency plasma apparatus as a dopant source via a pulsed laser deposition (PLD). The films were then characterized using X-Ray Diffraction (XRD) as polycrystalline with the predominant orientations of (012) and (104). The perfect surface appearance of the film was investigated by atomic force microscopy and Hall-effect measurements revealed a rare p-type conductivity in the LiNbO3:N thin film. The hole concentration was 7.31 × 1015 cm−3 with a field-effect mobility of 266 cm2V−1s−1. X-ray Photoelectron Spectroscopy (XPS) indicated that the atom content of nitrogen was 0.87%; N atoms were probably substituted for O sites, which contributed to the p-type conductivity. The realization of p-type LiNbO3:N thin films grown on the Si substrate lead to improvements in the manufacturing of novel optoelectronic devices