We report structural and physical properties of the single crystalline ${mathrm{Ca}}{mathrm{Mn}}_{2}{mathrm{P}}_{2}$. The X-ray diffraction(XRD) results show that ${mathrm{Ca}}{mathrm{Mn}}_{2}{mathrm{P}}_{2}$ adopts the trigonal ${mathrm{Ca}}{mathrm{
Al}}_{2}{mathrm{Si}}_{2}$-type structure. Temperature dependent electrical resistivity $rho(T)$ measurements indicate an insulating ground state for ${mathrm{Ca}}{mathrm{Mn}}_{2}{mathrm{P}}_{2}$ with activation energies of 40 meV and 0.64 meV for two distinct regions, respectively. Magnetization measurements show no apparent magnetic phase transition under 400 K. Different from other ${mathrm{A}}{mathrm{Mn}}_{2}{mathrm{Pn}}_{2}$ (A = Ca, Sr, and Ba, and Pn = P, As, and Sb) compounds with the same structure, heat capacity $C_{mathrm{p}}(T)$ and $rho(T)$ reveal that ${mathrm{Ca}}{mathrm{Mn}}_{2}{mathrm{P}}_{2}$ has a first-order transition at $T$ = 69.5 K and the transition temperature shifts to high temperature upon increasing pressure. The emergence of plenty of new Raman modes below the transition, clearly suggests a change in symmetry accompanying the transition. The combination of the structural, transport, thermal and magnetic measurements, points to an unusual origin of the transition.
Recently, we have demonstrated (Jin et al. 2020, J. Phys. B: At. Mol. Opt. Phys. 53, 075201) that a hybrid subconfiguration-average and level-to-level distorted wave treatment of electron-impact single ionisation (EISI) of W$^{14+}$ ions represents a
n accurate and manageable approach for the calculation of EISI cross sections of a complex ion. Here we demonstrate the more general validity of this approach by comparing hybrid cross sections for EISI of W$^{15+}$ and W$^{16+}$ with the recent experimental results of Schury et al. 2020, J. Phys. B: At. Mol. Opt. Phys. 53, 015201). Our calculations also account for the resonant-excitation double autoionisation (REDA) process which is important in the electron energy range 370-600 eV and for the possible presence of initially metastable ions in the experiment.
It is known that iron selenide superconductors exhibit unique characteristics distinct from iron pnicitides, especially in the electron-doped region. However, acomprehensive study of continuous carrier doping ang the corresponding crystal structures
of FeSe is still lacking, mainly due to the difficulties in controlling the carrier density in bulk materials. Here, we report the successful synthesis of a new family of bulk Lix(C3H10N2)0.37FeSe, which features a continue superconducting dome harboring Lifshitz transition within the wide range of 0.06~0.68. We demonstrate that with electron-doped, the anion height of FeSe layers deviates lineraly away from the optimized values of pnictides and pressurized FeSe. This feature leads to anew superconducting zone with unique doping dependence of the electronic structures and strong orbital-selective electronic correlation. Optimal superconductivity is achieved when the Fe 3d t2g orbitals have almost the same intermediate electronic correlation strength, with moderate mass enhancement between 3~4 in the two separate superconducting zone. Our result shed light on archieving unified mechanism of superconductivity in iron-based materials.
We extensively test a recent protocol to demonstrate quantum fault tolerance on three systems: (1) a real-time simulation of five spin qubits coupled to an environment with two-level defects, (2) a real-time simulation of transmon quantum computers,
and (3) the 16-qubit processor of the IBM Q Experience. In the simulations, the dynamics of the full system is obtained by numerically solving the time-dependent Schrodinger equation. We find that the fault-tolerant scheme provides a systematic way to improve the results when the errors are dominated by the inherent control and measurement errors present in transmon systems. However, the scheme fails to satisfy the criterion for fault tolerance when decoherence effects are dominant.
In the model of gate-based quantum computation, the qubits are controlled by a sequence of quantum gates. In superconducting qubit systems, these gates can be implemented by voltage pulses. The success of implementing a particular gate can be express
ed by various metrics such as the average gate fidelity, the diamond distance, and the unitarity. We analyze these metrics of gate pulses for a system of two superconducting transmon qubits coupled by a resonator, a system inspired by the architecture of the IBM Quantum Experience. The metrics are obtained by numerical solution of the time-dependent Schrodinger equation of the transmon system. We find that the metrics reflect systematic errors that are most pronounced for echoed cross-resonance gates, but that none of the studied metrics can reliably predict the performance of a gate when used repeatedly in a quantum algorithm.
We study the real-time and real-space dynamics of charge in the one-dimensional Hubbard model in the limit of high temperatures. To this end, we prepare pure initial states with sharply peaked density profiles and calculate the time evolution of thes
e nonequilibrium states, by using numerical forward-propagation approaches to chains as long as 20 sites. For a class of typical states, we find excellent agreement with linear-response theory and unveil the existence of remarkably clean charge diffusion in the regime of strong particle-particle interactions. Moreover, we demonstrate that this diffusive behavior does not depend on certain details of our initial conditions, i.e., it occurs for five different realizations with random and nonrandom internal degrees of freedom, single and double occupation of the central site, and displacement of spin-up and spin-down particles.
The real-time broadening of density profiles starting from non-equilibrium states is at the center of transport in condensed-matter systems and dynamics in ultracold atomic gases. Initial profiles close to equilibrium are expected to evolve according
to linear response, e.g., as given by the current correlator evaluated exactly at equilibrium. Significantly off equilibrium, linear response is expected to break down and even a description in terms of canonical ensembles is questionable. We unveil that single pure states with density profiles of maximum amplitude yield a broadening in perfect agreement with linear response, if the structure of these states involves randomness in terms of decoherent off-diagonal density-matrix elements. While these states allow for spin diffusion in the XXZ spin-1/2 chain at large exchange anisotropies, coherences yield entirely different behavior.
Since the first suggestion of the Jarzynski equality many derivations of this equality have been presented in both, the classical and the quantum context. While the approaches and settings greatly differ from one to another, they all appear to rely o
n the initial state being a thermal Gibbs state. Here, we present an investigation of work distributions in driven isolated quantum systems, starting off from pure states that are close to energy eigenstates of the initial Hamiltonian. We find that, for the nonintegrable system in quest, the Jarzynski equality is fulfilled to good accuracy.
We study measures of decoherence and thermalization of a quantum system $S$ in the presence of a quantum environment (bath) $E$. The entirety $S$$+$$E$ is prepared in a canonical thermal state at a finite temperature, that is the entirety is in a ste
ady state. Both our numerical results and theoretical predictions show that measures of the decoherence and the thermalization of $S$ are generally finite, even in the thermodynamic limit, when the entirety $S$$+$$E$ is at finite temperature. Notably, applying perturbation theory with respect to the system-environment coupling strength, we find that under common Hamiltonian symmetries, up to first order in the coupling strength it is sufficient to consider $S$ uncoupled from $E$, but entangled with $E$, to predict decoherence and thermalization measures of $S$. This decoupling allows closed form expressions for perturbative expansions for the measures of decoherence and thermalization in terms of the free energies of $S$ and of $E$. Large-scale numerical results for both coupled and uncoupled entireties with up to 40 quantum spins support these findings.
We study the charge conductivity of the one-dimensional repulsive Hubbard model at finite temperature using the method of dynamical quantum typicality, focusing at half filling. This numerical approach allows us to obtain current autocorrelation func
tions from systems with as many as 18 sites, way beyond the range of standard exact diagonalization. Our data clearly suggest that the charge Drude weight vanishes with a power law as a function of system size. The low-frequency dependence of the conductivity is consistent with a finite dc value and thus with diffusion, despite large finite-size effects. Furthermore, we consider the mass-imbalanced Hubbard model for which the charge Drude weight decays exponentially with system size, as expected for a non-integrable model. We analyze the conductivity and diffusion constant as a function of the mass imbalance and we observe that the conductivity of the lighter component decreases exponentially fast with the mass-imbalance ratio. While in the extreme limit of immobile heavy particles, the Falicov-Kimball model, there is an effective Anderson-localization mechanism leading to a vanishing conductivity of the lighter species, we resolve finite conductivities for an inverse mass ratio of $eta gtrsim 0.25$.
