0000000000190225
AUTHOR
Andrei L. Kholkin
Computational and experimental studies of size and shape related physical properties of hydroxyapatite nanoparticles
In this work, the properties of hydroxyapatite (HAP) nanoparticles (NPs) have been studied both theoretically and experimentally focusing on computational analysis. HAP is widely used to fabricate implants, for drug delivery, etc. The physical properties of the nanosized HAP particles play an important role in the interaction with cells in the human body and are of great interest. Computer simulation was employed to understand the properties of HAP clusters (Ca(5)(PO(4))(3)OH) including formation energies, dipole moments and polarization (surface charges) by molecular mechanics (MM + , OPLS) and mostly by quantum semi-empirical Hartree-Fock (PM3) methods. The size of the simulated cluster i…
Direct observation of polar nanostructures in PLZT ceramics for electrooptic applications
ABSTRACTTransparent Pb1-yLay(Zr1-xTix)1-y/4O3(PLZT, y=0.0975, x=0.35) ceramics prepared via hot pressing techniques were studied via piezoelectric force microscopy (PFM). Clear piezoelectric contrast is observed in a cubic relaxor phase indicating spatial distribution of polarization with an average cluster size of about 50 nm. The irregular polarization pattern is associated with the formation of a glassy state, where random electric and stress fields are responsible for the disruption of the long-range ferroelectric order. Local poling of the ceramics resulted in the formation of a stable micron-size domain that could be continuously switched under varying dc bias (local hysteresis loop).…
Grain size effect and local disorder in polycrystalline relaxors via scanning probe microscopy
Local piezoresponse of individual grains in polycrystalline Pb0.9125La0.0975(Zr0.65Ti0.35)0.976O3 (PLZT 9.75/65/35) relaxor ceramics is studied using the scanning probe microscopy (SPM) technique. The observed piezoelectric contrast consisting of irregular (labyrinth-type) polarization patterns is attributed to the compositional disorder and consequent charge imbalance caused by high La concentration. A measure of this disorder, the polarization correlation length ξ, is directly determined using an autocorrelation analysis function implemented in the SPM software. The analysis of the obtained images shows that ξ taken at the scale ~200 nm varies as a function of the position inside the grai…
Polar nanodomains and local ferroelectric phenomena in relaxor lead lanthanum zirconate titanate ceramics
Transparent Pb0.9125La0.0975(Zr0.65Ti0.35)0.976O3 ceramics (conventionally abbreviated as PLZT 9.75/65/35) is a typical relaxor characterized by the absence of the ferroelectric order at the macroscopic scale. In this letter, we report on the observation of complex polar structures on the surface of this material via piezoresponse force microscopy (PFM). The irregular polarization patterns are associated with the formation of a glassy state, where random electric fields destroy the long-range ferroelectric order. The measure of the disorder, the correlation length of ∼50nm, was directly deduced from the PFM images. Local poling of relaxor ceramics resulted in the formation of a stable micro…
Effect of surface disorder on the domain structure of PLZT ceramics
ABSTRACTPb1-xLax(Zr0.65Ti0.35)1-x/4O3 (PLZT x/65/35) ceramics were studied by Piezoresponse Force Microscopy in order to understand the origin of domain structure as a function of La content. We show that the domain topology is mainly determined by the composition and grain size. The characteristic correlation length decreases with increasing La content, being sensitive also to the synthesis method. The behavior of the correlation length is linked to the macroscopic properties, showing a strong increase of disorder with La doping. The roughness exponent for the domain wall in PLZT 9/65/35 is close to 2/3 indicating 1D character of domain walls in relaxors.