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Raman signatures of inversion symmetry breaking structural transition in quasi-1D compound, (TaSe4)3I.
J Phys Condens Matter
January 2025
School of Physical Sciences, Indian Association for the Cultivation of Science, 2A & B Raja S C Mullick Road, Kolkata 700032, INDIA, Kolkata, 700032, INDIA.
The breaking of inversion symmetry combined with spin-orbit coupling, can give rise to intrigu- ing quantum phases and collective excitations. Here, we report systematic temperature dependent Raman scattering and theoretical calculations of phonon modes across the inversion symmetry- breaking structural transitions in a quasi-one-dimensional compound (TaSe4)3I. Our investigation revealed the emergence of three additional Raman-active modes in Raman spectra of the low- temperature (LT) non-centrosymmetric (NC) structure of the material.
View Article and Find Full Text PDFEvolution of electronic structure and optical properties of naphthalenediimide dithienylvinylene (NDI-TVT) polymer as a function of reduction level: a density functional theory study.
Phys Chem Chem Phys
January 2025
Department of Chemical Engineering, Birla Institute of Technology and Science, Pilani, Rajasthan 333031, India.
Naphthalenediimide (NDI)-based donor-acceptor co-polymers with tunable electronic, optical, mechanical, and transport properties have shown immense potential as n-type conducting polymers in organic (opto)electronics. During the operation, the polymers undergo reduction at different charged states, which alters their (opto)electronic properties mainly due to the formation of the quasiparticles, polaron/bipolaron. The theoretical study based on quantum mechanical calculations can provide us with a detailed understanding of their (opto)electronic properties, which is missing to a great extent.
View Article and Find Full Text PDFProgrammable Magnetic Hysteresis in Orthogonally-Twisted 2D CrSBr Magnets via Stacking Engineering.
Adv Mater
January 2025
Instituto de Ciencia Molecular (ICMol), Universitat de València, Catedrático José Beltrán 2, Paterna, 46980, Spain.
Twisting 2D van der Waals magnets allows the formation and control of different spin-textures, as skyrmions or magnetic domains. Beyond the rotation angle, different spin reversal processes can be engineered by increasing the number of magnetic layers forming the twisted van der Waals heterostructure. Here, pristine monolayers and bilayers of the A-type antiferromagnet CrSBr are considered as building blocks.
View Article and Find Full Text PDFMagnetoelectric properties and Morin type spin transitions of Na-doped GaFeO.
J Phys Condens Matter
January 2025
Department of Physics, University of Kerala, Karyavattom 695581, Thiruvananthapuram, Kerala, India.
The effects of Na doping on the structure magnetic, electric, and magnetoelectric properties of GaFeOwere studied. Rietveld refinement of the XRD data reveals the formation of a single-phase trigonal structure with no impurity on Na doping up to 50% and a significant increase in lattice strain with doping. FTIR and Raman analysis further supported the phase purity of the samples.
View Article and Find Full Text PDFA Spectrochemical Series for Electron Spin Relaxation.
J Am Chem Soc
January 2025
Division of Chemistry and Chemical Engineering, Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125, United States.
Controlling the rate of electron spin relaxation in paramagnetic molecules is essential for contemporary applications in molecular magnetism and quantum information science. However, the physical mechanisms of spin relaxation remain incompletely understood, and new spectroscopic observables play an important role in evaluating spin dynamics mechanisms and structure-property relationships. Here, we use cryogenic magnetic circular dichroism (MCD) spectroscopy and pulse electron paramagnetic resonance (EPR) in tandem to examine the impact of ligand field (d-d) excited states on spin relaxation rates.
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