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We develop a theory that explains the low-energy optical excitations near 1.5 eV observed by optical experiments in NiPS_{3}. Using ab initio methods, we construct a two-band Hubbard model for two effective Ni orbitals. The dominant effective hopping corresponds to third-nearest neighbors. This model exhibits triplet-singlet excitations of energy near 2 times the Hund exchange. We derive an effective model for the movement of two singlets in an antiferromagnetic background, that we solve using a generalized self-consistent Born approximation, disentangling the nature of these novel excitations, which move coherently as "singlet polarons".
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We discuss quasi-one-dimensional magnetic Mott insulators from the pyroxene family where spin and orbital degrees of freedom remain tightly bound. We analyze their excitation spectrum and outline the conditions under which the orbital degrees of freedom become liberated so that the corresponding excitations become dispersive and the spectral weight shifts to energies much smaller than the exchange integral.
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In many quantum architectures the solid-state qubits, such as quantum dots or color centers, are interfaced via emitted photons. However, the frequency of photons emitted by solid-state systems exhibits slow uncontrollable fluctuations over time (spectral diffusion), creating a serious problem for implementation of the photon-mediated protocols. Here we show that a sequence of optical pulses applied to the solid-state emitter can stabilize the emission line at the desired frequency. We demonstrate efficiency, robustness, and feasibility of the method analytically and numerically. Taking nitrogen-vacancy center in diamond as an example, we show that only several pulses, with the width of 1 ns, separated by few ns (which is not difficult to achieve) can suppress spectral diffusion. Our method provides a simple and robust way to greatly improve the efficiency of photon-mediated entanglement and/or coupling to photonic cavities for solid-state qubits.
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Based on high-field (31)P nuclear magnetic resonance experiments and accompanying numerical calculations, it is argued that in the frustrated S=1/2 ladder compound BiCu(2)PO(6) a field-induced soliton lattice develops above a critical field of µ(0)H(c1)=20.96(7) T. Solitons result from the fractionalization of the S=1, bosonlike triplet excitations, which in other quantum antiferromagnets are commonly known to experience Bose-Einstein condensation or to crystallize in a superstructure. Unlike in spin-Peierls systems, these field-induced quantum domain walls do not arise from a state with broken translational symmetry and are triggered exclusively by magnetic frustration. Our model predicts yet another second-order phase transition at H(c2)>H(c1), driven by soliton-soliton interactions, most likely corresponding to the one observed in recent magnetocaloric and other bulk measurements.
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The fundamental excitations in an antiferromagnetic chain of spins-1/2 are spinons, de-confined fractional quasiparticles that when combined in pairs, form a triplet excitation continuum. In an Ising-like spin chain the continuum is gapped and the ground state is Néel ordered. Here, we report high resolution neutron scattering experiments, which reveal how a magnetic field closes this gap and drives the spin chains in Yb2Pt2Pb to a critical, disordered Luttinger-liquid state. In Yb2Pt2Pb the effective spins-1/2 describe the dynamics of large, Ising-like Yb magnetic moments, ensuring that the measured excitations are exclusively longitudinal, which we find to be well described by time-dependent density matrix renormalization group calculations. The inter-chain coupling leads to the confinement of spinons, a condensed matter analog of quark confinement in quantum chromodynamics. Insensitive to transverse fluctuations, our measurements show how a gapless, dispersive longitudinal mode arises from confinement and evolves with magnetic order.
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An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu2(BO3)2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. The magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems.
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Computational studies of models for manganese oxides show the generation of large coexisting metallic and insulating clusters with equal electronic density, in agreement with the recently discovered micrometer-sized inhomogeneities in manganites. The clusters are induced by disorder on exchange and hopping amplitudes near first-order transitions of the nondisordered strongly coupled system. The random-field Ising model illustrates the qualitative aspects of our results. Percolative characteristics are natural in this context. The conclusions are general and apply to a variety of compounds.
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The resistivity rho(dc) of manganites is studied using a random resistor-network, based on phase separation between metallic and insulating domains. When percolation occurs, both as chemical composition or temperature vary, results in good agreement with experiments are obtained. Similar conclusions are reached using quantum calculations and microscopic considerations. Above the Curie temperature, it is argued that ferromagnetic clusters should exist in Mn oxides. Small magnetic fields induce large rho(dc) changes and a bad-metal state with (disconnected) insulating domains.
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We study the pair correlations of a spin-imbalanced two-leg ladder with attractive interactions, using the density matrix renormalization group method. We identify regions in the phase diagram spanned by the chemical potential and the magnetic field that can harbor Fulde-Ferrell-Larkin-Ovchinnikov- (FFLO-)like physics. Results for the pair structure factor, exhibiting multiple pairing wave vectors, substantiate the presence of FFLO-like correlations. We further discuss phase separation scenarios induced by a harmonic trap, which differ from the case of isolated chains.
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We study the Rabi oscillations decay of a spin decohered by a spin bath whose internal dynamics is caused by dipolar coupling between the bath spins. The form and rate of decay as a function of the intrabath coupling is obtained analytically, and confirmed numerically. The complex form of decay smoothly varies from power law to exponential, and the rate changes nonmonotonically with the intrabath coupling, decreasing for both slow and fast baths. The form and rate of Rabi oscillations decay can be used to experimentally determine the intrabath coupling strength for a broad class of solid-state systems.
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We develop the density-matrix renormalization group (DMRG) technique for numerically studying incompressible fractional quantum Hall (FQH) states on the sphere. We calculate accurate estimates for ground-state energies and excitation gaps at FQH filling fractions nu=1/3 and nu=5/2 for systems that are considerably larger than the largest ever studied by exact diagonalization. We establish, by carefully comparing with existing numerical results on smaller systems, that DMRG is a highly effective numerical tool for studying incompressible FQH states.
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We perform the numerical equivalent of a phase sensitive experiment on doped 2-leg t-J ladders. We apply proximity effect fields with different complex phases at both ends of an open system and we study the transport of Cooper pairs. Measuring the response of the system and the induced Josephson current, density matrix renormalization group calculations show how, depending on the doping fraction, the rung-leg parity of the pair field changes from minus to plus as the density of holes is increased. The Josephson current exhibits a phase transition as a function of J/t.
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We study the real-time dynamics of a hole and doubly occupied site pair, namely, a holon and a doublon, in a 1D Hubbard insulator with on-site and nearest-neighbor Coulomb repulsion. Our analysis shows that the pair is long-lived and the expected decay mechanism to underlying spin excitations is actually inefficient. For a nonzero intersite Coulomb repulsion, we observe that part of the wave function remains in a bound state. Our study also provides insight on the holon-doublon propagation in real space. Because of the one-dimensional nature of the problem, these particles move in opposite directions even in the absence of an applied electric field. The potential relevance of our results to solar cell applications is discussed.
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Phase coherence is a fundamental concept in quantum mechanics. Understanding the loss of coherence is paramount for future quantum information processing. We studied the coherent dynamics of a single central spin (a nitrogen-vacancy center) coupled to a bath of spins (nitrogen impurities) in diamond. Our experiments show that both the internal interactions of the bath and the coupling between the central spin and the bath can be tuned in situ, allowing access to regimes with surprisingly different behavior. The observed dynamics are well explained by analytics and numerical simulations, leading to valuable insight into the loss of coherence in spin systems. These measurements demonstrate that spins in diamond provide an excellent test bed for models and protocols in quantum information.
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Spin-charge-orbital ordered structures in doped layered manganites are investigated using an orbital-degenerate double-exchange model tightly coupled to Jahn-Teller distortions. In the ferromagnetic phase, unexpected diagonal stripes at x = 1/m ( m = integer) are observed, as in recent experiments. These stripes are induced by the orbital degree of freedom, which forms a staggered pattern in the background. A pi shift in the orbital order across stripes is identified, analogous to the pi shift in spin order across stripes in cuprates. At x = 1/4 and 1/3, another nonmagnetic phase with diagonal static charge stripes is stabilized at intermediate values of the t(2g)-spins exchange coupling.
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The extended and standard t-J models are computationally studied on ladders and planes, with emphasis on the small J/t region. At couplings compatible with photoemission results for undoped cuprates, half-doped stripes separating pi-shifted antiferromagnetic (AF) domains are found, as in Tranquada's interpretation of neutron experiments. Our main result is that the elementary stripe "building block" resembles the properties of one hole at small J/t, with robust AF correlations across the hole induced by the local tendency of the charge to separate from the spin. This suggests that the seed of half-doped stripes already exists in the unusual properties of the insulating parent compound.