The ^{181}Ta quadrupole resonance [nuclear quadrupole resonance (NQR)] technique is utilized to investigate the microscopic magnetic properties of the Weyl semimetal TaP. We find three zero-field NQR signals associated with the transition between the quadrupole split levels for Ta with I=7/2 nuclear spin. A quadrupole coupling constant, ν_{Q}=19.250 MHz, and an asymmetric parameter of the electric field gradient, η=0.423, are extracted, in good agreement with band structure calculations. In order to examine the magnetic excitations, the temperature dependence of the spin-lattice relaxation rate (1/T_{1}T) is measured for the f_{2} line (±5/2↔±3/2 transition). We find that there exist two regimes with quite different relaxation processes. Above T^{*}≈30 K, a pronounced (1/T_{1}T)∝T^{2} behavior is found, which is attributed to the magnetic excitations at the Weyl nodes with temperature-dependent orbital hyperfine coupling. Below T^{*}, the relaxation is mainly governed by a Korringa process with 1/T_{1}T=const, accompanied by an additional T^{-1/2}-type dependence to fit our experimental data. We show that Ta NQR is a novel probe for the bulk Weyl fermions and their excitations.
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Amino Acids
January 2025
Faculty of Natural Sciences, University of SS Cyril and Methodius, 91701, Trnava, Slovakia.
Four aliphatic amino acids-α-aminobutyric acid (AABA), β-aminobutyric acid (BABA), α-aminoisobutyric acid (AAIBA) and β-aminoisobutyric acid (BAIBA) were investigated in water as a solvent by two quantum chemical methods. B3LYP hybrid version of DFT was used for geometry optimization and a full vibrational analysis of neutral molecules, their cations and anions in the canonical and zwitterionic forms (6 forms for each species). Ab initio DLPNO-CCSD(T) method was applied in the geometry pre-optimized by B3LYP.
View Article and Find Full Text PDFJ Magn Reson
January 2025
NMR Research Unit, University of Oulu, P.O. Box 3000, FI-90014, Finland. Electronic address:
Spin relaxation is modelled using the so-called relaxation superoperator Γˆˆ. Analytic forms of Γˆˆ have been derived in the literature in the simplest cases of one- or two-spin systems, with S=12 nuclei and no more than two different simultaneous relaxation mechanisms involved. Beyond that, for systems of more than two spins, with S>12 and/or multiple relaxation mechanisms at play, the derivations become notoriously complicated, which is why analytic relaxation theory has mostly been considered a dead end.
View Article and Find Full Text PDFEnviron Res
January 2025
Heilongjiang Provincial Key Laboratory of CO(2) Resource Utilization and Energy Catalytic Materials, School of Materials Science and Chemical Engineering, Harbin University of Science and Technology, Harbin 150040, P. R. China. Electronic address:
Achieving the harmless degradation of organic pollutants remains a challenging task for the advanced oxidation processes. Metal-organic frameworks have emerged in the field of energy and environmental catalysis. Herein, MIL-101(Fe) was employed as the precursor to prepare a porous carbon embedded Fe nanoparticles (Fe@C) via a pyrolytic process under N protection.
View Article and Find Full Text PDFLinear aliphatic oligoesters derived from ε-caprolactone (CL) were synthesized by ring-opening polymerization (ROP) using terpene alcohols that have antibacterial activity as initiators (nerol, geraniol, β-citronellol and farnesol). Ammonium decamolybdate (NH)[MoO] was used as a catalyst. From previous oligoesters, monodisperse species of monomers, dimers, and trimers were isolated by flash column chromatography (FCC).
View Article and Find Full Text PDFACS Omega
December 2024
Faculty of Health Science, University of Ss. Cyril and Methodius, 91701 Trnava, Slovakia.
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