Disentangling lattice and electronic contributions to the metal–insulator transition from bulk vs. layer confined RNiO₃

In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal–insulator transition. This paper presents a combined theoretical and experimental analysis of the dependence of the metal–insulator transition of NdNiO3 on crystal structure, specifically comparing properties of bulk materials to 1- and 2-layer samples of NdNiO3 grown between multiple electronically inert NdAlO3 counterlayers in a superlattice. The comparison amplifies and validates a theoretical approach developed in previous papers and disentangles the electronic and lattice contributions, through an independent variation of each. In bulk NdNiO3, the correlations are not strong enough to drive a metal–insulator transition by themselves: A lattice distortion is required. Ultrathin films exhibit 2 additional electronic effects and 1 lattice-related effect. The electronic effects are quantum confinement, leading to dimensional reduction of the electronic Hamiltonian and an increase in electronic bandwidth due to counterlayer-induced bond-angle changes. We find that the confinement effect is much more important. The lattice effect is an increase in stiffness due to the cost of propagation of the lattice disproportionation into the confining material

Atomistic spin dynamics of the CuMn spin glass alloy

We demonstrate the use of Langevin spin dynamics for studying dynamical properties of an archetypical spin glass system. Simulations are performed on CuMn (20% Mn) where we study the relaxation that follows a sudden quench of the system to the low temperature phase. The system is modeled by a Heisenberg Hamiltonian where the Heisenberg interaction parameters are calculated by means of first-principles density functional theory. Simulations are performed by numerically solving the Langevin equations of motion for the atomic spins. It is shown that dynamics is governed, to a large degree, by the damping parameter in the equations of motion and the system size. For large damping and large system sizes we observe the typical aging regime.Comment: 18 pages, 9 figure

Low-energy description of the metal-insulator transition in the rare-earth nickelates

We propose a simple theoretical description of the metal-insulator transition of rare-earth nickelates. The theory involves only two orbitals per nickel site, corresponding to the low-energy antibonding eg states. In the monoclinic insulating state, bond-length disproportionation splits the manifold of eg bands, corresponding to a modulation of the effective on-site energy. We show that, when subject to a local Coulomb repulsion U and Hund's coupling J, the resulting bond-disproportionated state is a paramagnetic insulator for a wide range of interaction parameters. Furthermore, we find that when U−3J is small or negative, a spontaneous instability to bond disproportionation takes place for large enough J. This minimal theory emphasizes that a small or negative charge-transfer energy, a large Hund's coupling, and a strong coupling to bond disproportionation are the key factors underlying the transition. Experimental consequences of this theoretical picture are discussed

Optical spectroscopy and the nature of the insulating state of rare-earth nickelates

Using a combination of spectroscopic ellipsometry and DC transport measurements, we determine the temperature dependence of the optical conductivity of NdNiO$_3$ and SmNiO$_{3}$ films. The optical spectra show the appearance of a characteristic two-peak structure in the near-infrared when the material passes from the metal to the insulator phase. Dynamical mean-field theory calculations confirm this two-peak structure, and allow to identify these spectral changes and the associated changes in the electronic structure. We demonstrate that the insulating phase in these compounds and the associated characteristic two-peak structure are due to the combined effect of bond-disproportionation and Mott physics associated with half of the disproportionated sites. We also provide insights into the structure of excited states above the gap.Comment: 12 pages, 13 figure

Zeros of Rydberg-Rydberg Foster Interactions

Rydberg states of atoms are of great current interest for quantum manipulation of mesoscopic samples of atoms. Long-range Rydberg-Rydberg interactions can inhibit multiple excitations of atoms under the appropriate conditions. These interactions are strongest when resonant collisional processes give rise to long-range C_3/R^3 interactions. We show in this paper that even under resonant conditions C_3 often vanishes so that care is required to realize full dipole blockade in micron-sized atom samples.Comment: 10 pages, 4 figures, submitted to J. Phys.

Single atom quantum walk with 1D optical superlattices

A proposal for the implementation of quantum walks using cold atom technology is presented. It consists of one atom trapped in time varying optical superlattices. The required elements are presented in detail including the preparation procedure, the manipulation required for the quantum walk evolution and the final measurement. These procedures can be, in principle, implemented with present technology.Comment: 6 pages, 7 figure

Electronic Transitions in Strained SmNiO_3 Thin Films

Nickelates are known for their metal to insulator transition (MIT) and an unusual magnetic ordering, occurring at T=T_N\'eel. Here, we investigate thin films of SmNiO_3 subjected to different levels of epitaxial strain. We find that the original bulk behavior (T_N\'eel<T_MI) is strongly affected by applying compressive strain to the films. For small compressive strains, a regime where T_N\'eel=T_MI is achieved, the paramagnetic insulating phase characteristic of the bulk compound is suppressed and the MIT becomes 1st order. Further increasing the in-plane compression of the SmNiO_3 lattice leads to the stabilization of a single metallic paramagnetic phase

Quantum jumps of light recording the birth and death of a photon in a cavity

A microscopic system under continuous observation exhibits at random times sudden jumps between its states. The detection of this essential quantum feature requires a quantum non-demolition (QND) measurement repeated many times during the system evolution. Quantum jumps of trapped massive particles (electrons, ions or molecules) have been observed, which is not the case of the jumps of light quanta. Usual photodetectors absorb light and are thus unable to detect the same photon twice. They must be replaced by a transparent counter 'seeing' photons without destroying them3. Moreover, the light has to be stored over a duration much longer than the QND detection time. We have fulfilled these challenging conditions and observed photon number quantum jumps. Microwave photons are stored in a superconducting cavity for times in the second range. They are repeatedly probed by a stream of non-absorbing atoms. An atom interferometer measures the atomic dipole phase shift induced by the non-resonant cavity field, so that the final atom state reveals directly the presence of a single photon in the cavity. Sequences of hundreds of atoms highly correlated in the same state, are interrupted by sudden state-switchings. These telegraphic signals record, for the first time, the birth, life and death of individual photons. Applying a similar QND procedure to mesoscopic fields with tens of photons opens new perspectives for the exploration of the quantum to classical boundary

Synthesis and characterization of entangled mesoscopic superpositions for a trapped electron

We propose a scheme for the generation and reconstruction of entangled states between the internal and external (motional) degrees of freedom of a trapped electron. Such states also exhibit quantum coherence at a mesoscopic level.Comment: 4 pages, 1 figure, RevTeX (twocolumn

Scalable Neutral Atom Quantum Computer with Interaction on Demand: Proposal for Selective Application of Two-Qubit Gate

We propose a scalable neutral atom quantum computer with an on-demand interaction through a selective two-qubit gate operation. Atoms are trapped by a lattice of near field Fresnel diffraction lights so that each trap captures a single atom. One-qubit gate operation is implemented by a gate control laser beam which is applied to an individual atom. Two-qubit gate operation between an arbitrary pair of atoms is implemented by sending these atoms to a state-dependent optical lattice and making them collide so that a particular two-qubit state acquires a dynamical phase. We give numerical evaluations corresponding to these processes, from which we estimate the upper bound of a two-qubit gate operation time and corresponding gate fidelity. Our proposal is feasible within currently available technology developed in cold atom gas, MEMS, nanolithography, and various areas in optics.Comment: 10 pages, 9 figur