@article{54966,
  abstract     = {{Piezoresponse force microscopy (PFM) is one of the most widespread methods for investigating and visualizing ferroelectric domain structures down to the nanometer length scale. PFM makes use of the direct coupling of the piezoelectric response to the crystal lattice, and hence, it is most often applied to spatially map the three-dimensional (3D) near-surface domain distribution of any polar or ferroic sample. Nonetheless, since most samples investigated by PFM are at least semiconducting or fully insulating, the electric ac field emerging from the conductive scanning force microscopy (SFM) tip penetrates the sample and, hence, may also couple to polar features that are deeply buried into the bulk of the sample under investigation. Thus, in the work presented here, we experimentally and theoretically explore the contrast and depth resolution capabilities of PFM, by analyzing the dependence of several key parameters. These key parameters include the depth of the buried feature, i.e., here a domain wall (DW), as well as PFM-relevant technical parameters such as the tip radius, the PFM drive voltage and frequency, and the signal-to-noise ratio. The theoretical predictions are experimentally verified using x-cut periodically poled lithium niobate single crystals that are specially prepared into wedge-shaped samples, in order to allow the buried feature, here the DW, to be “positioned” at any depth into the bulk. This inspection essentially contributes to the fundamental understanding in PFM contrast analysis and to the reconstruction of 3D domain structures down to a 1 μm-penetration depth into the sample.}},
  author       = {{Roeper, Matthias and Seddon, Samuel D. and Amber, Zeeshan H. and Rüsing, Michael and Eng, Lukas M.}},
  issn         = {{0021-8979}},
  journal      = {{Journal of Applied Physics}},
  keywords     = {{Ferroelectrics, lithium niobate, piezoresponse force microscopy}},
  number       = {{22}},
  publisher    = {{AIP Publishing}},
  title        = {{{Depth resolution in piezoresponse force microscopy}}},
  doi          = {{10.1063/5.0206784}},
  volume       = {{135}},
  year         = {{2024}},
}

@article{63960,
  abstract     = {{Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy and dynamic nuclear polarization (DNP) of nanostructured materials are reviewed. A first group of materials is based on crystalline nanocellulose (CNC) or microcrystalline cellulose (MCC), which are used as carrier materials for dye molecules, catalysts or in combination with heterocyclic molecules as ion conducting membranes. These materials have widespread applications in sensorics, optics, catalysis or fuel cell research. A second group are metal oxides such as V-Mo-W oxides, which are of enormous importance in the manufacturing process of basic chemicals. The third group are catalytically active nanocrystalline metal nanoparticles, coated with protectants or embedded in polymers. The last group includes of lead-free perovskite materials, which are employed as environmentally benign substitution materials for conventional lead-based electronics materials. These materials are discussed in terms of their application and physico-chemical characterization by solid-state NMR techniques, combined with gas-phase NMR and quantum-chemical modelling on the density functional theory (DFT) level. The application of multinuclear 1H, 2H, 13C, 15N and 23Na solid state NMR techniques under static or MAS conditions for the characterization of these materials, their surfaces and processes on their surfaces is discussed. Moreover, the analytic power of the combination of these techniques with DNP for the identification of low-concentrated carbon and nitrogen containing surface species in natural abundance is reviewed. Finally, approaches for sensitivity enhancement by DNP of quadrupolar nuclei such as 17O and 51V are presented that enable the identification of catalytic sites in metal oxide catalysts.}},
  author       = {{Gutmann, Torsten and Groszewicz, Pedro B. and Buntkowsky, Gerd}},
  journal      = {{Annual Reports on NMR Spectroscopy}},
  keywords     = {{solid-state nmr, heterogeneous catalysis, dynamic nuclear polarization, Ferroelectrics, Nanocatalysis, Surface reactions}},
  pages        = {{1–82}},
  title        = {{{Solid-state NMR of nanocrystals}}},
  doi          = {{10.1016/bs.arnmr.2018.12.001}},
  volume       = {{97}},
  year         = {{2019}},
}

@article{13520,
  abstract     = {{Atomistic simulations in the framework of the density functional theory have been used to model morphologic and vibrational properties of lithium niobate–lithium tantalate mixed crystals as a function of the [Nb]/[Ta] ratio. Structural parameters such as the crystal volume and the lattice parameters a and c vary roughly linearly from LiTaO3 to LiNbO3, showing only minor deviations from the Vegard behavior. Our ab initio calculations demonstrate that the TO1, TO2 and TO4 vibrational modes become harder with increasing Nb concentration. TO3 becomes softer with increasing Nb content, instead. Furthermore, the investigated zone center A1 -TO phonon modes are characterized by a pronounced stoichiometry dependence. Frequency shifts as large as 30 cm−1 are expected as the [Nb]/[Ta] ratio grows from 0 to 1. Therefore, spectroscopic techniques sensitive to the A1 modes (such as Raman spectroscopy), can be employed for a direct and non-destructive determination of the crystal composition.}},
  author       = {{Sanna, Simone and Riefer, A. and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, Michael and Widhalm, A. and Zrenner, Artur}},
  issn         = {{0015-0193}},
  journal      = {{Ferroelectrics}},
  keywords     = {{Ferroelectrics, vibrational properties, LiNbO3, LiTaO3, mixed crystals}},
  number       = {{1}},
  pages        = {{63--68}},
  title        = {{{Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals}}},
  doi          = {{10.1080/00150193.2013.821893}},
  volume       = {{447}},
  year         = {{2013}},
}

@inproceedings{4380,
  abstract     = {{The structural and vibrational properties of lithium niobate (LN) – lithium tantalate (LT) mixed crystals (LNT, LiNb1-xTaxO3) are investigated over the whole composition range by first-principles simulations. The crystal volume grows roughly linearly from LT to LN, whereby the lattice parameters a and c show minor deviations from the Vegard behavior between the end compounds, LiNbO3 and LiTaO3. Our calculations in the framework of the density functional theory show the TO1, TO2 and TO4-modes to become harder with increasing Nb concentration. TO3 becomes softer with increasing Nb content, instead. The frequency shifts of the zone center A1-TO phonon modes for crystals with different compositions are found to be as large as 30 cm-1. Raman spectroscopy, which is sensitive to the A1 modes, can be therefore employed to determine the crystal composition.}},
  author       = {{Sanna, Simone and Riefer, Arthur and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Widhalm, Alex and Zrenner, Artur}},
  booktitle    = {{Proceedings of ISAF-ECAPD-PFM 2012}},
  keywords     = {{Ferroelectrics, Vibrational properties, LiNbO3, LiTaO3, Mixed Crystals}},
  location     = {{Aveiro, Portugal}},
  title        = {{{Vibrational fingerprints of LiNbO3-LiTaO3 mixed crystals}}},
  year         = {{2012}},
}