The concept of quantum phase transitions (QPTs) plays a central role in the description of condensed matter systems. In this Letter, we perform high-quality wave-function-based simulations to demonstrate the existence of a quantum phase transition in a crucially relevant molecular system, namely, water, forming linear chains of rotating molecules. We determine various critical exponents and reveal the water chain QPT to belong to the (1+1)-dimensional Ising universality class. Furthermore, the effect of breaking symmetries is examined, and it is shown that, by breaking the inversion symmetry, the ground state degeneracy of the ordered quantum phase is lifted to yield two many-body states with opposite polarization. The possibility of forming ferroelectric phases together with a thermal stability of the quantum critical regime up to ∼10 K makes the linear water chain a promising candidate as a platform for quantum devices.
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http://dx.doi.org/10.1103/PhysRevLett.130.026201 | DOI Listing |
Sci Rep
December 2024
Department of Chemistry and Biochemistry, Centre for Research in Molecular Modeling (CERMM), Concordia University, 7141 Sherbrooke Street West, Montréal, QC, H4B 1R6, Canada.
Nitroglycerin is a potent vasodilator in clinical use since the late 1800s. It functions as a prodrug that is bioactivated by formation of an enzyme-based thionitrate, E-Cys-NO. This intermediate reportedly decomposes to release NO and NO but their relative yields remain controversial.
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December 2024
School of Materials Science and Engineering, Peking University, Beijing, 100871, China.
Crystal symmetry, which governs the local atomic coordination and bonding environment, is one of the paramount constituents that intrinsically dictate materials' functionalities. However, engineering crystal symmetry is not straightforward due to the isotropically strong covalent/ionic bonds in crystals. Layered two-dimensional materials offer an ideal platform for crystal engineering because of the ease of interlayer symmetry operations.
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December 2024
Institute for Quantum Computing, University of Waterloo, Waterloo, ON, Canada.
Methods to prepare and characterize neutron helical waves carrying orbital angular momentum (OAM) were recently demonstrated at small-angle neutron scattering (SANS) facilities. These methods enable access to the neutron orbital degree of freedom which provides new avenues of exploration in fundamental science experiments as well as in material characterization applications. However, it remains a challenge to recover phase profiles from SANS measurements.
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December 2024
Department of Physics and Astronomy, Purdue University, West Lafayette, IN, USA.
Geometric frustration in two-dimensional Ising models allows for a wealth of exotic universal behavior, both Ising and non-Ising, in the presence of quantum fluctuations. In particular, the triangular antiferromagnet and Villain model in a transverse field can be understood through distinct XY pseudospins, but have qualitatively similar phase diagrams including a quantum phase transition in the (2+1)-dimensional XY universality class. While the quantum dynamics of modestly-sized systems can be simulated classically using tensor-based methods, these methods become infeasible for larger lattices.
View Article and Find Full Text PDFAdv Sci (Weinh)
December 2024
Analytical & Testing Center, Chengdu, 610064, China.
Aqueous-phase phosphors are of utmost importance for a myriad of applications. However, the emission wavelengths of the current aqueous organic room-temperature phosphorescent (RTP) materials are limited to green and red bands, while the blue part is rarely reported, thus limiting the development of a full-color RTP system. Theoretically, carboxylated benzene is expected to be blue phosphorescence-emissive, but only green phosphorescence is observed in solid, due to the strong intermolecular π-π stacking that decreases the energy gap.
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