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Edge Pinning Effects and Giant Thermal Instability of Magnetization Hysteresis Loops in Thin Nano-Scale Magnets

100%
Popkov A., Savchenko L., Vorotnikova N.
Acta Physica Polonica A
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2000
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vol. 97
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issue 3
499-502
EN
Magnetization reversal modes of super-thin nano-scale particles with a high magnetization and low anisotropy are analyzed by solving magnetic moment motion equations. A new kind of thermal hysteresis instability connected with the random mutual transformation of the main magnetization modes is predicted by simulations.
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Structural and Spectroscopic Characterization of 1-(5-Bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one: An Analysis of Electronic and NLO Properties

70%
Tamer Ö., Avcı D., Atalay Y.
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vol. 126
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issue 3
679-688
EN
The molecular structure of 1-(5-bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one with C_{13}H_8BrNO_3S empirical formula was simulated using B3LYP and CAM-B3LYP levels of density functional theory. After BTNP was optimized on the ground state, its characterization was enhanced via IR, NMR and UV-vis spectroscopies. Conformational analysis was performed based on B3LYP level so as to find the stable conformers of BTNP. Electronic transitions were calculated, and the important contributions from the molecular orbitals to the electronic transitions were investigated. HOMO and LUMO energies were calculated, and obtained energies displayed that charge transfer occurs in BTNP. It was displayed that BTNP is an efficient NLO material due to the coplanar of phenyl-nitro group and carbonyl group. NBO analysis also proved that charge transfer, conjugative interactions and intramolecular hydrogen bonding interactions occur through BTNP.
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