We consider the nonequilibrium evolution in the spin-1/2 XXZ Heisenberg chain for fixed magnetization after a local quantum quench. This model is equivalent to interacting spinless fermions. Initially an infinite magnetic field is applied to n consecutive sites and the ground state is calculated. At time t=0 the field is switched off and the time evolution of observables such as the z component of spin is computed using the time evolving block decimation algorithm. We find that the observables exhibit strong signatures of linearly propagating spinon and bound state excitations. These persist even when integrability-breaking perturbations are included. Since bound states ("strings") are notoriously difficult to observe using conventional probes such as inelastic neutron scattering, we conclude that local quantum quenches are an ideal setting for studying their properties. We comment on implications of our results for cold atom experiments.
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http://dx.doi.org/10.1103/PhysRevLett.108.077206 | DOI Listing |
Nano Lett
January 2025
Department of Quantum Matter Physics, University of Geneva, 24, Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland.
Tunable electronic properties in transition metal dichalcogenides (TMDs) are essential to further their use in device applications. Here, we present a comprehensive scanning tunneling microscopy and spectroscopy study of a doping-induced charge density wave (CDW) in semiconducting bulk 1T-ZrSe. We find that atomic impurities that locally shift the Fermi level () into the conduction band trigger a CDW reconstruction concomitantly to the opening of a gap at .
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, The University of British Columbia, 2036 Main Mall, Vancouver, British Columbia V6T 1Z1, Canada.
Photothermal therapy is a promising strategy for treating tumors and bacterial infections by using light irradiation to locally heat tissues. Metalloisoporphyrinoid materials have been investigated for their use as singlet oxygen photosensitizers for photodynamic therapy but remain underexplored as photothermal agents. Recently, two metallophlorin and two metalloisocorrole materials were found to have strong near-infrared absorbance, with low photoluminescent quantum yields, suggesting high rates of nonradiative decay.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
We present an implementation of the quantum mechanics/molecular mechanics (QM/MM) method for periodic systems using GPU accelerated QM methods, a distributed multipole formulation of the electrostatics, and a pseudobond treatment of the QM/MM boundary. We demonstrate that our method has well-controlled errors, stable self-consistent QM convergence, and energy-conserving dynamics. We further describe an application to the catalytic kinetics of chorismate mutase.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Department of Biomaterials & Biomedical Technology (BBT), University Medical Centre Groningen (UMCG), Antonius Deusinglaan 1, Groningen, 9713 AV, The Netherlands.
Free radicals are believed to play a secondary role in the cell death cascade associated with various diseases. In Huntington's disease (HD), the aggregation of polyglutamine (PolyQ) not only contributes to the disease but also elevates free radical levels. However, measuring free radicals is difficult due to their short lifespan and limited diffusion range.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Materials Chemistry Department, CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013, India.
Nonplanar (butterfly-shaped) phenothiazine () and its derivative's () photophysical and spectral properties have been tuned by varying the solvents and their polarity and investigated employing spectroscopic techniques such as UV-Vis, steady-state and time-resolved fluorescence, and TDDFT calculations. The UV-Vis absorption studies and TDDFT calculations reveal two distinct bands for both compounds: a strong π-π* transition at shorter wavelengths and a weaker -π* transition, which displays a little bathochromic shift in polar solvents. The detailed emission studies reveal that such dual emission is a result of the photoinduced excited-state conjugation enhancement (ESCE) process.
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