Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userTin Titanate: the hunt for a new ferroelectric perovskite
236
0
0.0
(
0
)
Added by
Jonathan Gardner Dr
Publication date
2019
fields
Physics
and research's language is
English
Ask ChatGPT about the research
No Arabic abstract
We review all the published literature and show that there is no experimental evidence for homogeneous tin titanate SnTiO3 in bulk or thin-film form. Instead a combination of unrelated artefacts are easily misinterpreted. The X-ray Bragg data are contaminated by double scattering from the Si substrate, giving a strong line at the 2-theta angle exactly where perovskite SnTiO3 should appear. The strong dielectric divergence near 560K is irreversible and arises from oxygen site detrapping, accompanied by Warburg/Randles interfacial anomalies. The small (4 uC/cm2) apparent ferroelectric hysteresis remains in samples shown in pure (Sn,Ti)O2 rutile/cassiterite, in which ferroelectricity is forbidden. Only very recent German work reveals real bulk SnTiO3, but this is completely inhomogeneous, consisting of an elaborate array of stacking faults, not suitable for ferroelectric devices. Unpublished TEM data reveal an inhomogeneous SnO layered structured thin films, related to shell-core structures. The harsh conclusion is that there is a combination of unrelated artefacts masquerading as ferroelectricity in powders and ALD films; and only a trace of a second phase in Cambridge PLD data suggests any perovskite content at all. The fact that X-ray, dielectric, and hysteresis data all lead to the wrong conclusion is instructive and reminds us of earlier work on copper calcium titanate (a well-known boundary-layer capacitor).
rate research
Read More
In this work, we use density functional theory calculations to demonstrate how spontaneous electric polarizations can be induced textit{via} a hybrid improper ferroelectric mechanism in iodide perovskites, a family well-known to display solar-optimal band gaps, to create new materials for photoferroic applications. We first assemble three chemically distinct ($A$$A^{prime}$)($B$$B^{prime}$)I$_6$ double perovskites using centrosymmetric $AB$I$_3$ perovskite iodides (where $A$ = Cs, Rb, K and $B$ = Sn, Ge) as building units. In each superlattice, we investigate the effects of three types of $A$- and $B$-site cation ordering schemes and three different $B$I$_6$ octahedral rotation patterns. Out of these 27 combinations, we find that 15 produce polar space groups and display spontaneous electric polarizations ranging from 0.26 to 23.33 $mu$C/cm$^2$. Furthermore, we find that a layered $A$-site/rock salt $B$-site ordering, in the presence of an $a^0a^0c^+$ rotation pattern, produces a chiral vortex-like $A$-site displacement pattern. We then investigate the effect of epitaxial strain on one of these systems, (CsRb)(SnGe)I$_6$, in layered and rock salt ordered configurations. In both phases, we find strong competition between the cation ordering schemes as well as an enhancement of the spontaneous polarization magnitude under tensile strain. Finally, using advanced functionals, we demonstrate that these compounds display low band gaps ranging from 0.2 to 1.3 eV. These results demonstrate that cation ordering and epitaxial strain are powerful ways to induce and control new functionalities in technologically-useful families of materials.
The bandgap energy values for the ferroelectric BaTiO3-based solid solutions with isovalent substitution Ba1-x SrxTiO3, BaZrxTi1-xO3 and BaSnxTi1-xO3 were determined using diffuse reflectance spectra. While the corresponding unit cell volume follows Vegards law in accordance with the different ionic radii of the ionic substitutions, the bandgap values depict non-linear compositional dependences for all the solid solutions. The effect is considerably large for BaZrxTi1-xO3 and BaSnxTi1-xO3 solutions, depicting a bandgap linear compositional dependence up to x=0.6, for x>0.6 BaZrxTi1-xO3 compounds present much larger bandgap values than BaSnxTi1-xO3 counterparts. Electronic properties have been investigated through X-ray photoelectron spectroscopy in BaSnxTi1-xO3 compounds, indicating that the Sn 3d and Ti 2p core levels shift against the Ba 3d ones within the whole compositional range with the same energy trend as that observed for the optical bandgap. Since for Ba1-x SrxTiO3 compounds no major bandgap variation is observed, we conclude that the bandgap compositional dependences observed for BaSnxTi1-xO3 compounds and BaZrxTi1-xO3 ones are originated from the structural sensitivity of the O, Ti and Sn or Zr electronic bands involved in the bandgap transition of these compounds. With this work, we underline the reliability of the bandgap determined from diffuse reflectance spectrometry experiments, as a means to non-invasively evaluate the electronic properties of powder materials.
Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO$_{6}$ compound which has been recently synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the $AABB{rm O}_{6}$ family of double perovskites. At low temperature, the structure has monoclinic $P2_{1}$ symmetry, with layered ordering of the Na and La ions and rocksalt ordering of Mn and W ions. The Mn atoms show an antiferromagnetic (AFM) collinear spin ordering, and the compound has been reported as a potential multiferroic. By comparing the low symmetry structure with a parent phase of $P4/nmm$ symmetry, two distortion modes are found dominant. They correspond to MnO$_{6}$ and WO$_{6}$ octahedron textit{tilt} modes, often found in many simple perovskites. While in the latter these common tilting instabilities yield non-polar phases, in NaLaMnWO$_{6}$ the additional presence of the $A$-$A^{}$ cation ordering is sufficient to make these rigid unit modes as a source of the ferroelectricity. Through a trilinear coupling with the two unstable tilting modes, a significant polar distortion is induced, although the system has no intrinsic polar instability. The calculated electric polarization resulting from this polar distortion is as large as $sim$ 16 ${mu}{rm C/cm^{2}}$. Despite its secondary character, this polarization is coupled with the dominant tilting modes and its switching is bound to produce the switching of one of two tilts, enhancing in this way a possible interaction with the magnetic ordering. The transformation of common non-polar purely steric instabilities into sources of ferroelectricity through a controlled modification of the parent structure, as done here by the cation ordering, is a phenomenon to be further explored.
Materials with formula of A2B2O7 is a famous family with more than 300 compounds, and have abundant properties, like ferroelectric, multiferroic, and photocatalyst properties, etc. Generally, two structures dominate this family, which are pyrochlore and perovskite-like layered (PL) structure. Previously, the structure and properties design of these materials are usually complex, and solid solutions, which complicates the manufacture, as well as introducing complexity in the study of the microscopic origins of the properties. Here, we report that the pyrochlore-PL structure change happened in pure Eu2Ti2O7 under high pressure and temperature, and the formed PL structure will transfer back by heating. These results reveal that the PL structure formed in PL-pyrochlore solid solutions, is due to tuning of the high-pressure formed PL structure in pure pyrochlore compounds to ambient pressure. These results indicate the high pressure and high temperature can be used to manipulate the crystal structures from pyrochlore to PL structure, or vice versa. Furthermore, the PL Eu2Ti2O7 was confirmed as a lead free ferroelectric material for the first time.
Polarized Raman spectra of the epitaxial Ba0.5Sr0.5TiO3 film, bi-color BaTiO3/Ba0.5Sr0.5TiO3 superlattice, and tri-color BaTiO3/Ba0.5Sr0.5TiO3/SrTiO3 superlattice were studied in a broad temperature range of 80-700 K. Based on the temperature dependence of the polar modes we determined the phase transitions temperatures in the studied heterostructures. In the sub-THz frequency range of the Y(XZ)Y spectra, we revealed the coexistence of the Debye-type central peak and soft mode in bi-color BaTiO3/Ba0.5Sr0.5TiO3 superlattice.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
