Group-theoretical methods are used to analyze perovskite structures where both ferroelectric cation displacements and simple tilting of octahedral units are present. This results in a list of 40 different structures, each with a unique space-group symmetry. The list is compared with that of Aleksandrov & Bartolomé [Phase Transit. (2001), 74, 255-335] and a number of differences are found. The group-subgroup relationships between the structures are also determined, along with an indication of those phase transitions that must be first order by Landau theory.
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http://dx.doi.org/10.1107/s0108768102015756 | DOI Listing |
Vision Res
December 2024
Department of Neuroscience, University of California, 142 Weill Hall, Berkeley, CA 94720-3200, United States. Electronic address:
Prompted by the title of Ernst Cassirer's 1944 essay, the origin of the idea of a Group theoretical approach, in the mathematical sense, in vision science is here explored, as well as the several ways in which its implementation had been attempted. That object recognition might proceed by a more generative approach rather than by separate individual cataloging had already been argued by Kant, and Cassirer examined how mathematical group theory might be called on for this purpose, in view of the success of its use in geometry and in the physical sciences. However, such a promise appears unlikely in view of the categorical differences between analysis of mental phenomena and of the physical world.
View Article and Find Full Text PDFJ Phys Condens Matter
April 2024
Department of Physics, Jadavpur University, Kolkata 700 032, India.
Three cardinal two-dimensional semiconductors., AlC, BCand CN, closely resembling the graphene structure, are intriguing contenders for emerging optoelectronic and thermomechanical applications. Starting from a critical stability analysis, this density functional theory study delves into a quantitative assessment of structural, mechanical, electronic, optical, vibrational and thermodynamical properties of these monolayers as a function of biaxial strain(ε)in a sublinear regime(-2%⩽ε⩽4%)of elastic deformation.
View Article and Find Full Text PDFSci Rep
December 2023
Magneto-Plasmonic Lab, Laser and Plasma Research Institute, Shahid Beheshti University, Tehran, Iran.
A Ruddlesden-Popper 2D perovskite PEAPbX (X = I, Br, and Cl) is proposed for metasurface applications. Density functional theory is used to analyze the optical, electrical, mechanical properties, moisture and thermodynamic stability of PEAPbX. The refractive index of PEAPbX varies with the halides, resulting in 2.
View Article and Find Full Text PDFMicromachines (Basel)
November 2023
Łukasiewicz Research Network-PORT Polish Center for Technology Development, Stabłowicka 147, 54-066 Wrocław, Poland.
ABO structures commonly known as perovskite are of high importance in advanced material science due to their interesting optical properties. Applications range from tunable band gaps, high absorption coefficients, and versatile electronic properties, making them ideal for solar cells to light-emitting diodes and even photodetectors. In this work, we present, for the first time, a nonlinear phenomenological bond model analysis of second harmonic generation (SHG) in tetragonal ABO with arbitrary input light polarization.
View Article and Find Full Text PDFMolecules
October 2023
Department of Physical Chemistry, Slovak Technical University, Radlinskeho 9, SK-81237 Bratislava, Slovakia.
The structures of Ag complexes with dimethyl amino phenyl substituted phthalocyanine [dmaphPcAg] of various charges q and in the two lowest spin states m were optimized using the B3LYP method within the D symmetry group and its subgroups. The most stable reaction intermediate in the supposed photoinitiation reaction is [dmaphPcAg]. Group-theoretical analysis of the optimized structures and of their electron states reveals two symmetry-descent mechanisms.
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