We study quantum spin ice in an external magnetic field applied along a <100> direction. When quantum spin fluctuations are weak, elementary excitations are quantum strings with monopoles at their ends manifested as multiple spin wave branches in the dynamical structure factor. Strong quantum fluctuations make the string tension negative and give rise to the deconfinement of monopoles. We discuss our results in the light of recent neutron scattering experiments in Yb2Ti2O7.
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http://dx.doi.org/10.1103/PhysRevLett.108.247210 | DOI Listing |
Sci Rep
January 2025
Department of Applied Physics, School of Engineering Sciences, KTH Royal Institute of Technology, AlbaNova University Center, SE-10691, Stockholm, Sweden.
Non-trivial band topology along with magnetism leads to different novel quantum phases. When time-reversal symmetry is broken in three-dimensional topological insulators (TIs) through, e.g.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry, The University of Manchester, Manchester M13 9PL, U.K.
The linear vibronic coupling (LVC) model is an approach for approximating how a molecular Hamiltonian changes in response to small changes in molecular geometry. The LVC framework thus has the ability to approximate molecular Hamiltonians at low computational expense but with quality approaching multiconfigurational calculations, when the change in geometry compared to the reference calculation used to parametrize it is small. Here, we show how the LVC approach can be used to project approximate spin Hamiltonians of a solvated lanthanide complex along a room-temperature molecular dynamics trajectory.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry, Rice University, Houston, Texas 77005-1892, United States.
Generalized Hartree-Fock (GHF) is a long-established electronic structure method that can lower the energy (compared to spin-restricted variants) by breaking physical wave function symmetries, namely and . After an exposition of GHF theory, we assess the use of GHF trial wave functions in phaseless auxiliary field quantum Monte Carlo (ph-AFQMC-G) calculations of strongly correlated molecular systems including symmetrically stretched hydrogen rings, carbon dioxide, and dioxygen. Imaginary time propagation is able to restore symmetry and yields energies of comparable or better accuracy than CCSD(T) with unrestricted HF and GHF references, and consistently smooth dissociation curves─a remarkable result given the relative scalability of ph-AFQMC-G to larger system sizes.
View Article and Find Full Text PDFBiomed Opt Express
January 2025
State Key Laboratory of Advanced Optical Communication Systems and Networks, School of Electronics, and Center for Quantum Information Technology, Peking University, Beijing 100871, China.
Optically-pumped magnetometer (OPM) has been of increasing interest for biomagnetic measurements due to its low cost and portability compared with superconducting quantum interference devices (SQUID). Miniaturized spin-exchange-relaxation-free (SERF) OPMs typically have limited bandwidth (less than a few hundred Hertz), making it difficult to measure high-frequency biomagnetic signals such as the magnetocardiography (MCG) signal of the mouse. Existing experiments mainly use SQUID systems to measure the signal.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Lemont, Illinois 60439, USA.
Photosynthetic reaction center proteins (RCs) provide ideal model systems for studying quantum entanglement between multiple spins, a quantum mechanical phenomenon wherein the properties of the entangled particles become inherently correlated. Following light-generated sequential electron transfer, RCs generate spin-correlated radical pairs (SCRPs), also referred to as entangled spin qubit (radical) pairs (SQPs). Understanding and controlling coherence mechanisms in SCRP/SQPs is important for realizing practical uses of electron spin qubits in quantum sensing applications.
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