Anharmonic and Quantum Fluctuations in Molecular Crystals from Ab Initio Simulations

NASA Astrophysics Data System (ADS)

Rossi, Mariana; Gasparotto, Piero; Ceriotti, Michele

Molecular crystals often exist in multiple competing polymorphs which are challenging to be predicted computationally, but show significantly different physicochemical properties. This challenge is not due only to the combinatorial search space, but also to the complex interplay of subtle effects determine the relative stability of different structures. Here we estimate all contributions to the free energies of these systems with density-functional theory, including the oft-neglected anharmonic contributions and nuclear quantum effects, by using a series of different flavors of thermodynamic integration. As an example, for the two most stable forms of paracetamol we find that anharmonic contributions, different descriptions of van der Waals interactions, and nuclear quantum effects all matter to quantitatively determine the stability of different phases. Our studies indicate that anharmonic free energies could play an important role for molecular crystals composed by large molecules and opens the way for a systematic inclusion of these effects in order to obtain a predictive screening of structures.

The Rocker (An Easy Anharmonic Oscillator for Classroom Demonstration)

NASA Astrophysics Data System (ADS)

Lieberherr, Martin

2013-04-01

Every instructor should know some easy examples of anharmonic oscillations. The rocking of an empty wine bottle or a slender beer glass is one of those: The angle is not a sinusoidal function of time and the period is not independent of the amplitude, not even for small amplitudes. But care has to be taken that the glass does not slip or rotate around a vertical axis. LEGO rockers (see Fig. 1) are much more reliable and versatile.

Wigner expansions for partition functions of nonrelativistic and relativistic oscillator systems

NASA Technical Reports Server (NTRS)

Zylka, Christian; Vojta, Guenter

1993-01-01

The equilibrium quantum statistics of various anharmonic oscillator systems including relativistic systems is considered within the Wigner phase space formalism. For this purpose the Wigner series expansion for the partition function is generalized to include relativistic corrections. The new series for partition functions and all thermodynamic potentials yield quantum corrections in terms of powers of h(sup 2) and relativistic corrections given by Kelvin functions (modified Hankel functions) K(sub nu)(mc(sup 2)/kT). As applications, the symmetric Toda oscillator, isotonic and singular anharmonic oscillators, and hindered rotators, i.e. oscillators with cosine potential, are addressed.

Harmonic and anharmonic oscillations investigated by using a microcomputer-based Atwood's machine

NASA Astrophysics Data System (ADS)

Pecori, Barbara; Torzo, Giacomo; Sconza, Andrea

1999-03-01

We describe how the Atwood's machine, interfaced to a personal computer through a rotary encoder, is suited for investigating harmonic and anharmonic oscillations, exploiting the buoyancy force acting on a body immersed in water. We report experimental studies of oscillators produced by driving forces of the type F=-kxn with n=1,2,3, and F=-k sgn(x). Finally we suggest how this apparatus can be used for showing to the students a macroscopic model of interatomic forces.

Energy Expansion for the Period of Anharmonic Oscillators by the Method of Lindstedt-Poincare

ERIC Educational Resources Information Center

Fernandez, Francisco M.

2004-01-01

A simple, straightforward and efficient method is proposed for the calculation of the period of anharmonic oscillators as an energy series. The approach is based on perturbation theory and the method of Lindstedt-Poincare.

Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x) = Ax{sup 2α} + Bx{sup 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al Sdran, N.; Najran University, Faculty of Sciences and Arts, Najran; Maiz, F., E-mail: fethimaiz@gmail.com

2016-06-15

The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x) = Ax{sup 2α} + Bx{sup 2}, (A>0, B<0), with (α = 2) for quadratic, (α =3) for sextic and (α =4) for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x) bymore » a piecewise-linear potential v(x), while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.« less

Light atom quantum oscillations in UC and US

DOE PAGES

Yiu, Yuen; Aczel, Adam A.; Granroth, Garrett E.; ...

2016-01-19

High energy vibrational scattering in the binary systems UC and US is measured using time-of-flight inelastic neutron scattering. A clear set of well-defined peaks equally separated in energy is observed in UC, corresponding to harmonic oscillations of the light C atoms in a cage of heavy U atoms. The scattering is much weaker in US and only a few oscillator peaks are visible. We show how the difference between the materials can be understood by considering the neutron scattering lengths and masses of the lighter atoms. Monte Carlo ray tracing is used to simulate the scattering, with near quantitative agreementmore » with the data in UC, and some differences with US. The possibility of observing anharmonicity and anisotropy in the potentials of the light atoms is investigated in UC. Lastly, the observed data is well accounted for by considering each light atom as a single atom isotropic quantum harmonic oscillator.« less

Nonclassical properties of coherent light in a pair of coupled anharmonic oscillators

NASA Astrophysics Data System (ADS)

Alam, Nasir; Mandal, Swapan

2016-01-01

The Hamiltonian and hence the equations of motion involving the field operators of two anharmonic oscillators coupled through a linear one is framed. It is found that these equations of motion involving the non-commuting field operators are nonlinear and are coupled to each other and hence pose a great problem for getting the solutions. In order to investigate the dynamics and hence the nonclassical properties of the radiation fields, we obtain approximate analytical solutions of these coupled nonlinear differential equations involving the non-commuting field operators up to the second orders in anharmonic and coupling constants. These solutions are found useful for investigating the squeezing of pure and mixed modes, amplitude squared squeezing, principal squeezing, and the photon antibunching of the input coherent radiation field. With the suitable choice of the parameters (photon number in various field modes, anharmonic, and coupling constants, etc.), we calculate the second order variances of field quadratures of various modes and hence the squeezing, amplitude squared, and mixed mode squeezing of the input coherent light. In the absence of anharmonicities, it is found that these nonlinear nonclassical phenomena (squeezing of pure and mixed modes, amplitude squared squeezing and photon antibunching) are completely absent. The percentage of squeezing, mixed mode squeezing, amplitude squared squeezing increase with the increase of photon number and the dimensionless interaction time. The collapse and revival phenomena in squeezing, mixed mode squeezing and amplitude squared squeezing are exhibited. With the increase of the interaction time, the monotonic increasing nature of the squeezing effects reveal the presence of unwanted secular terms. It is established that the mere coupling of two oscillators through a third one does not produces the squeezing effects of input coherent light. However, the pure nonclassical phenomena of antibunching of photons in vacuum

Vibration-translation energy transfer in anharmonic diatomic molecules. 1: A critical evaluation of the semiclassical approximation

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1974-01-01

The semiclassical approximation is applied to anharmonic diatomic oscillators in excited initial states. Multistate numerical solutions giving the vibrational transition probabilities for collinear collisions with an inert atom are compared with equivalent, exact quantum-mechanical calculations. Several symmetrization methods are shown to correlate accurately the predictions of both theories for all initial states, transitions, and molecular types tested, but only if coupling of the oscillator motion and the classical trajectory of the incident particle is considered. In anharmonic heteronuclear molecules, the customary semiclassical method of computing the classical trajectory independently leads to transition probabilities with anomalous low-energy resonances. Proper accounting of the effects of oscillator compression and recoil on the incident particle trajectory removes the anomalies and restores the applicability of the semiclassical approximation.

First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments.

PubMed

Roy, Tapta Kanchan; Sharma, Rahul; Gerber, R Benny

2016-01-21

First-principles quantum calculations for anharmonic vibrational spectroscopy of three protected dipeptides are carried out and compared with experimental data. Using hybrid HF/MP2 potentials, the Vibrational Self-Consistent Field with Second-Order Perturbation Correction (VSCF-PT2) algorithm is used to compute the spectra without any ad hoc scaling or fitting. All of the vibrational modes (135 for the largest system) are treated quantum mechanically and anharmonically using full pair-wise coupling potentials to represent the interaction between different modes. In the hybrid potential scheme the MP2 method is used for the harmonic part of the potential and a modified HF method is used for the anharmonic part. The overall agreement between computed spectra and experiment is very good and reveals different signatures for different conformers. This study shows that first-principles spectroscopic calculations of good accuracy are possible for dipeptides hence it opens possibilities for determination of dipeptide conformer structures by comparison of spectroscopic calculations with experiment.

Squeezing and its graphical representations in the anharmonic oscillator model

NASA Astrophysics Data System (ADS)

Tanaś, R.; Miranowicz, A.; Kielich, S.

1991-04-01

The problem of squeezing and its graphical representations in the anharmonic oscillator model is considered. Explicit formulas for squeezing, principal squeezing, and the quasiprobability distribution (QPD) function are given and illustrated graphically. Approximate analytical formulas for the variances, extremal variances, and QPD are obtained for the case of small nonlinearities and large numbers of photons. The possibility of almost perfect squeezing in the model is demonstrated and its graphical representations in the form of variance lemniscates and QPD contours are plotted. For large numbers of photons the crescent shape of the QPD contours is hardly visible and quite regular ellipses are obtained.

Hydrogen Diffusion and Trapping in α -Iron: The Role of Quantum and Anharmonic Fluctuations

NASA Astrophysics Data System (ADS)

Cheng, Bingqing; Paxton, Anthony T.; Ceriotti, Michele

2018-06-01

We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic α -iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show that the diffusivity of hydrogen in the lattice of bcc iron deviates strongly from an Arrhenius behavior at and below room temperature. We compare a quantum transition state theory to explicit ring polymer molecular dynamics in the calculation of diffusivity. We then address the trapping of hydrogen by a vacancy as a prototype lattice defect. By a sequence of steps in a thought experiment, each involving a thermodynamic integration, we are able to separate out the binding free energy of a proton to a defect into harmonic and anharmonic, and classical and quantum contributions. We find that about 30% of a typical binding free energy of hydrogen to a lattice defect in iron is accounted for by finite temperature effects, and about half of these arise from quantum proton fluctuations. This has huge implications for the comparison between thermal desorption and permeation experiments and standard electronic structure theory. The implications are even greater for the interpretation of muon spin resonance experiments.

Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krasnoshchekov, Sergey V.; Stepanov, Nikolay F.

2013-11-14

In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys.more » 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.« less

Classical heat transport in anharmonic molecular junctions: exact solutions.

PubMed

Liu, Sha; Agarwalla, Bijay Kumar; Wang, Jian-Sheng; Li, Baowen

2013-02-01

We study full counting statistics for classical heat transport through anharmonic or nonlinear molecular junctions formed by interacting oscillators. An analytical result of the steady-state heat flux for an overdamped anharmonic junction with arbitrary temperature bias is obtained. It is found that the thermal conductance can be expressed in terms of a temperature-dependent effective force constant. The role of anharmonicity is identified. We also give the general formula for the second cumulant of heat in steady state, as well as the average geometric heat flux when two system parameters are modulated adiabatically. We present an anharmonic example for which all cumulants for heat can be obtained exactly. For a bounded single oscillator model with mass we found that the cumulants are independent of the nonlinear potential.

Numerical analysis of spectral properties of coupled oscillator Schroedinger operators. I - Single and double well anharmonic oscillators

NASA Technical Reports Server (NTRS)

Isaacson, D.; Isaacson, E. L.; Paes-Leme, P. J.; Marchesin, D.

1981-01-01

Several methods for computing many eigenvalues and eigenfunctions of a single anharmonic oscillator Schroedinger operator whose potential may have one or two minima are described. One of the methods requires the solution of an ill-conditioned generalized eigenvalue problem. This method has the virtue of using a bounded amount of work to achieve a given accuracy in both the single and double well regions. Rigorous bounds are given, and it is proved that the approximations converge faster than any inverse power of the size of the matrices needed to compute them. The results of computations for the g:phi(4):1 theory are presented. These results indicate that the methods actually converge exponentially fast.

Anharmonic phonon-phonon scattering modeling of three-dimensional atomistic transport: An efficient quantum treatment

NASA Astrophysics Data System (ADS)

Lee, Y.; Bescond, M.; Logoteta, D.; Cavassilas, N.; Lannoo, M.; Luisier, M.

2018-05-01

We propose an efficient method to quantum mechanically treat anharmonic interactions in the atomistic nonequilibrium Green's function simulation of phonon transport. We demonstrate that the so-called lowest-order approximation, implemented through a rescaling technique and analytically continued by means of the Padé approximants, can be used to accurately model third-order anharmonic effects. Although the paper focuses on a specific self-energy, the method is applicable to a very wide class of physical interactions. We apply this approach to the simulation of anharmonic phonon transport in realistic Si and Ge nanowires with uniform or discontinuous cross sections. The effect of increasing the temperature above 300 K is also investigated. In all the considered cases, we are able to obtain a good agreement with the routinely adopted self-consistent Born approximation, at a remarkably lower computational cost. In the more complicated case of high temperatures (≫300 K), we find that the first-order Richardson extrapolation applied to the sequence of the Padé approximants N -1 /N results in a significant acceleration of the convergence.

High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects

NASA Astrophysics Data System (ADS)

Bianco, Raffaello; Errea, Ion; Calandra, Matteo; Mauri, Francesco

2018-06-01

We study the structural and vibrational properties of the high-temperature superconducting sulfur trihydride and trideuteride in the high-pressure I m 3 ¯m and R 3 m phases by first-principles density-functional-theory calculations. On lowering pressure, the rhombohedral transition I m 3 ¯m →R 3 m is expected, with hydrogen-bond desymmetrization and occurrence of trigonal lattice distortion. With both Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) exchange-correlation functional, in hydrostatic conditions we find that, contrary to what is suggested in some recent experiments, if the rhombohedral distortion exists it affects mainly the hydrogen bonds, whereas the resulting cell distortion is minimal. We estimate that the occurrence of a stress anisotropy of approximately 10 % could explain this discrepancy. Assuming hydrostatic conditions, we calculate the critical pressure at which the rhombohedral transition occurs. Quantum and anharmonic effects, which are relevant in this system, are included at nonperturbative level with the stochastic self-consistent harmonic approximation. Within this approach, we determine the transition pressure by calculating the free-energy Hessian, a method that allows to estimate the critical pressure with much higher precision (and much lower computational cost) compared with the free-energy "finite-difference" approach previously used. Using PBE and BLYP, we find that quantum anharmonic effects are responsible for a strong reduction of the critical pressure with respect to the one obtained with the classical harmonic approach. Interestingly, for the two functionals, even if the transition pressures at classical harmonic level differ by 83 GPa, the transition pressures including quantum anharmonic effects differ only by 23 GPa. Moreover, we observe a prominent isotope effect, as we estimate higher transition pressure for D3S than for H3S . Finally, within the stochastic self-consistent harmonic approximation, with PBE

Quantum Theories of Self-Localization

NASA Astrophysics Data System (ADS)

Bernstein, Lisa Joan

In the classical dynamics of coupled oscillator systems, nonlinearity leads to the existence of stable solutions in which energy remains localized for all time. Here the quantum-mechanical counterpart of classical self-localization is investigated in the context of two model systems. For these quantum models, the terms corresponding to classical nonlinearities modify a subset of the stationary quantum states to be particularly suited to the creation of nonstationary wavepackets that localize energy for long times. The first model considered here is the Quantized Discrete Self-Trapping model (QDST), a system of anharmonic oscillators with linear dispersive coupling used to model local modes of vibration in polyatomic molecules. A simple formula is derived for a particular symmetry class of QDST systems which gives an analytic connection between quantum self-localization and classical local modes. This formula is also shown to be useful in the interpretation of the vibrational spectra of some molecules. The second model studied is the Frohlich/Einstein Dimer (FED), a two-site system of anharmonically coupled oscillators based on the Frohlich Hamiltonian and motivated by the theory of Davydov solitons in biological protein. The Born-Oppenheimer perturbation method is used to obtain approximate stationary state wavefunctions with error estimates for the FED at the first excited level. A second approach is used to reduce the first excited level FED eigenvalue problem to a system of ordinary differential equations. A simple theory of low-energy self-localization in the FED is discussed. The quantum theories of self-localization in the intrinsic QDST model and the extrinsic FED model are compared.

Polaronic Nonmetal-Correlated Metal Crossover System β'-CuxV2O5 with Anharmonic Copper Oscillation and Thermoelectric Conversion Performance

NASA Astrophysics Data System (ADS)

Onoda, Masashige; Sato, Takuma

2017-12-01

The crystal structures and electronic properties of β'CuxV2O5 are explored through measurements of X-ray four-circle diffraction, electrical resistivity, thermoelectric power, thermal conductivity, magnetization, and electron paramagnetic resonance. For various compositions with 0.243 ≤ x ≤ 0.587, the crystal structures are redetermined through the anharmonic approach of the copper displacement factors, where the anharmonicity is reduced with increasing Cu concentration. The electron transport for x ≤ 0.45 is nonmetallic due to polaron hopping and the random potential of Cu ions, while for x = 0.60, a correlated Fermi-liquid state appears with a Wilson ratio of 1.3 and a Kadowaki-Woods ratio close to the universal value for heavy-fermion systems. At around x = 0.50, the polaronic bandwidth may broaden so that the Hubbard subbands caused by the electron correlation will overlap. The nonmetallic composition in the proximity of the nonmetal-metal crossover shows a dimensionless thermoelectric power factor of 10-2 at 300 K, partly due to the anharmonic copper oscillation.

Ultralow Noise Monolithic Quantum Dot Photonic Oscillators

DTIC Science & Technology

2013-10-28

HBCU/MI) ULTRALOW NOISE MONOLITHIC QUANTUM DOT PHOTONIC OSCILLATORS LUKE LESTER UNIVERSITY OF NEW MEXICO 10/28/2013 Final Report DISTRIBUTION A...TELEPHONE NUMBER (Include area code) 24-10-2013 Final 01-06-2010 to 31-05-2013 Ultralow Noise Monolithic Quantum Dot Photonic Oscillators FA9550-10-1-0276...277-7647 Reset Grant Title: ULTRALOW NOISE MONOLITHIC QUANTUM DOT PHOTONIC OSCILLATORS Grant/Contract Number: FA9550-10-1-0276 Final Performance

Quantum synchronization of quantum van der Pol oscillators with trapped ions.

PubMed

Lee, Tony E; Sadeghpour, H R

2013-12-06

The van der Pol oscillator is the prototypical self-sustained oscillator and has been used to model nonlinear behavior in biological and other classical processes. We investigate how quantum fluctuations affect phase locking of one or many van der Pol oscillators. We find that phase locking is much more robust in the quantum model than in the equivalent classical model. Trapped-ion experiments are ideally suited to simulate van der Pol oscillators in the quantum regime via sideband heating and cooling of motional modes. We provide realistic experimental parameters for 171Yb+ achievable with current technology.

Dynamic of cold-atom tips in anharmonic potentials

PubMed Central

Menold, Tobias; Federsel, Peter; Rogulj, Carola; Hölscher, Hendrik; Fortágh, József

2016-01-01

Background: Understanding the dynamics of ultracold quantum gases in an anharmonic potential is essential for applications in the new field of cold-atom scanning probe microscopy. Therein, cold atomic ensembles are used as sensitive probe tips to investigate nanostructured surfaces and surface-near potentials, which typically cause anharmonic tip motion. Results: Besides a theoretical description of this anharmonic tip motion, we introduce a novel method for detecting the cold-atom tip dynamics in situ and real time. In agreement with theory, the first measurements show that particle interactions and anharmonic motion have a significant impact on the tip dynamics. Conclusion: Our findings will be crucial for the realization of high-sensitivity force spectroscopy with cold-atom tips and could possibly allow for the development of advanced spectroscopic techniques such as Q-control. PMID:28144505

The construction of partner potential from the general potential anharmonic in D-dimensional Schrodinger system

NASA Astrophysics Data System (ADS)

Suparmi; Cari, C.; Wea, K. N.; Wahyulianti

2018-03-01

The Schrodinger equation is the fundamental equation in quantum physics. The characteristic of the particle in physics potential field can be explained by using the Schrodinger equation. In this study, the solution of 4 dimensional Schrodinger equation for the anharmonic potential and the anharmonic partner potential have done. The method that used to solve the Schrodinger equation was the ansatz wave method, while to construction the partner potential was the supersymmetric method. The construction of partner potential used to explain the experiment result that cannot be explained by the original potential. The eigenvalue for anharmonic potential and the anharmonic partner potential have the same characteristic. Every increase of quantum orbital number the eigenvalue getting smaller. This result corresponds to Bohrn’s atomic theory that the eigenvalue is inversely proportional to the atomic shell. But the eigenvalue for the anharmonic partner potential higher than the eigenvalue for the anharmonic original potential.

Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol

NASA Astrophysics Data System (ADS)

Rossi, Mariana; Gasparotto, Piero; Ceriotti, Michele

2016-09-01

Molecular crystals often exist in multiple competing polymorphs, showing significantly different physicochemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful form, a real challenge due to the combinatorial search space, and the complex interplay of subtle effects that work together to determine the relative stability of different structures. Here we take a comprehensive approach based on different flavors of thermodynamic integration in order to estimate all contributions to the free energies of these systems with density-functional theory, including the oft-neglected anharmonic contributions and nuclear quantum effects. We take the two main stable forms of paracetamol as a paradigmatic example. We find that anharmonic contributions, different descriptions of van der Waals interactions, and nuclear quantum effects all matter to quantitatively determine the stability of different phases. Our analysis highlights the many challenges inherent in the development of a quantitative and predictive framework to model molecular crystals. However, it also indicates which of the components of the free energy can benefit from a cancellation of errors that can redeem the predictive power of approximate models, and suggests simple steps that could be taken to improve the reliability of ab initio crystal structure prediction.

Bifurcation-based adiabatic quantum computation with a nonlinear oscillator network.

PubMed

Goto, Hayato

2016-02-22

The dynamics of nonlinear systems qualitatively change depending on their parameters, which is called bifurcation. A quantum-mechanical nonlinear oscillator can yield a quantum superposition of two oscillation states, known as a Schrödinger cat state, via quantum adiabatic evolution through its bifurcation point. Here we propose a quantum computer comprising such quantum nonlinear oscillators, instead of quantum bits, to solve hard combinatorial optimization problems. The nonlinear oscillator network finds optimal solutions via quantum adiabatic evolution, where nonlinear terms are increased slowly, in contrast to conventional adiabatic quantum computation or quantum annealing, where quantum fluctuation terms are decreased slowly. As a result of numerical simulations, it is concluded that quantum superposition and quantum fluctuation work effectively to find optimal solutions. It is also notable that the present computer is analogous to neural computers, which are also networks of nonlinear components. Thus, the present scheme will open new possibilities for quantum computation, nonlinear science, and artificial intelligence.

Bifurcation-based adiabatic quantum computation with a nonlinear oscillator network

PubMed Central

Goto, Hayato

2016-01-01

The dynamics of nonlinear systems qualitatively change depending on their parameters, which is called bifurcation. A quantum-mechanical nonlinear oscillator can yield a quantum superposition of two oscillation states, known as a Schrödinger cat state, via quantum adiabatic evolution through its bifurcation point. Here we propose a quantum computer comprising such quantum nonlinear oscillators, instead of quantum bits, to solve hard combinatorial optimization problems. The nonlinear oscillator network finds optimal solutions via quantum adiabatic evolution, where nonlinear terms are increased slowly, in contrast to conventional adiabatic quantum computation or quantum annealing, where quantum fluctuation terms are decreased slowly. As a result of numerical simulations, it is concluded that quantum superposition and quantum fluctuation work effectively to find optimal solutions. It is also notable that the present computer is analogous to neural computers, which are also networks of nonlinear components. Thus, the present scheme will open new possibilities for quantum computation, nonlinear science, and artificial intelligence. PMID:26899997

Bifurcation-based adiabatic quantum computation with a nonlinear oscillator network

NASA Astrophysics Data System (ADS)

Goto, Hayato

2016-02-01

The dynamics of nonlinear systems qualitatively change depending on their parameters, which is called bifurcation. A quantum-mechanical nonlinear oscillator can yield a quantum superposition of two oscillation states, known as a Schrödinger cat state, via quantum adiabatic evolution through its bifurcation point. Here we propose a quantum computer comprising such quantum nonlinear oscillators, instead of quantum bits, to solve hard combinatorial optimization problems. The nonlinear oscillator network finds optimal solutions via quantum adiabatic evolution, where nonlinear terms are increased slowly, in contrast to conventional adiabatic quantum computation or quantum annealing, where quantum fluctuation terms are decreased slowly. As a result of numerical simulations, it is concluded that quantum superposition and quantum fluctuation work effectively to find optimal solutions. It is also notable that the present computer is analogous to neural computers, which are also networks of nonlinear components. Thus, the present scheme will open new possibilities for quantum computation, nonlinear science, and artificial intelligence.

David Shoenberg and the beauty of quantum oscillations

NASA Astrophysics Data System (ADS)

Pudalov, V. M.

2011-01-01

The quantum oscillation effect was discovered in Leiden in 1930, by W. J. de Haas and P. M. van Alphen when measuring magnetization, and by L. W. Shubnikov and de Haas when measuring magnetoresistance. Studying single crystals of bismuth, they observed oscillatory variations in the magnetization and magnetoresistance with magnetic field. Shoenberg, whose first research in Cambridge had been on bismuth, found that much stronger oscillations are observed when a bismuth sample is cooled to liquid helium temperature rather than liquid hydrogen, which had been used by de Haas. In 1938 Shoenberg went from Cambridge to Moscow to study these oscillations at Kapitza's Institute where liquid helium was available at that time. In 1947, J. Marcus observed similar oscillations in zinc and that persuaded Schoenberg to return to this research. After that, the dHvA effect became one of his main research topics. In particular, he developed techniques for quantitative measurement of this effect in many metals. A theoretical explanation of quantum oscillations was given by L. Onsager in 1952, and an analytical quantitative theory by I. M. Lifshitz and A. M. Kosevich in 1955. These theoretical advances seemed to provide a comprehensive description of the effect. Since then, quantum oscillations have been widely used as a tool for measuring Fermi surface extremal cross-sections and all-angle electron scattering times. In his pioneering experiments of the 1960's, Shoenberg revealed the richness and deep essence of the quantum oscillation effect and showed how the beauty of the effect is disclosed under nonlinear conditions imposed by interactions in the system under study. It was quite surprising that "magnetic interaction" conditions could cause the apparently weak quantum oscillation effect to have such strong consequences as breaking the sample into magnetic (now called "Shoenberg") domains and forming an inhomogeneous magnetic state. With his contributions to the field of quantum

Thermodynamic constraints on the amplitude of quantum oscillations

DOE PAGES

Shekhter, Arkady; Modic, K. A.; McDonald, R. D.; ...

2017-03-23

Magneto-quantum oscillation experiments in high-temperature superconductors show a strong thermally induced suppression of the oscillation amplitude approaching the critical dopings [B. J. Ramshaw et al., Science 348, 317 (2014); H. Shishido et al., Phys. Rev. Lett. 104, 057008 (2010); P. Walmsley et al., Phys. Rev. Lett. 110, 257002 (2013)]—in support of a quantum-critical origin of their phase diagrams. In this paper, we suggest that, in addition to a thermodynamic mass enhancement, these experiments may directly indicate the increasing role of quantum fluctuations that suppress the quantum oscillation amplitude through inelastic scattering. Finally, we show that the traditional theoretical approaches beyondmore » Lifshitz-Kosevich to calculate the oscillation amplitude in correlated metals result in a contradiction with the third law of thermodynamics and suggest a way to rectify this problem.« less

Quantum correlation in degenerate optical parametric oscillators with mutual injections

NASA Astrophysics Data System (ADS)

Takata, Kenta; Marandi, Alireza; Yamamoto, Yoshihisa

2015-10-01

We theoretically and numerically study the quantum dynamics of two degenerate optical parametric oscillators with mutual injections. The cavity mode in the optical coupling path between the two oscillator facets is explicitly considered. Stochastic equations for the oscillators and mutual injection path based on the positive P representation are derived. The system of two gradually pumped oscillators with out-of-phase mutual injections is simulated, and its quantum state is investigated. When the incoherent loss of the oscillators other than the mutual injections is small, the squeezed quadratic amplitudes p ̂ in the oscillators are positively correlated near the oscillation threshold. It indicates finite quantum correlation, estimated via Gaussian quantum discord, and the entanglement between the intracavity subharmonic fields. When the loss in the injection path is low, each oscillator around the phase transition point forms macroscopic superposition even under a small pump noise. It suggests that the squeezed field stored in the low-loss injection path weakens the decoherence in the oscillators.

Correlated states of a quantum oscillator acted by short pulses

NASA Technical Reports Server (NTRS)

Manko, O. V.

1993-01-01

Correlated squeezed states for a quantum oscillator are constructed based on the method of quantum integrals of motion. The quantum oscillator is acted upon by short duration pulses. Three delta-kickings of frequency are used to model the pulses' dependence upon the time aspects of the frequency of the oscillator. Additionally, the correlation coefficient and quantum variances of operations of coordinates and momenta are written in explicit form.

Quantum-coherent coupling of a mechanical oscillator to an optical cavity mode.

PubMed

Verhagen, E; Deléglise, S; Weis, S; Schliesser, A; Kippenberg, T J

2012-02-01

Optical laser fields have been widely used to achieve quantum control over the motional and internal degrees of freedom of atoms and ions, molecules and atomic gases. A route to controlling the quantum states of macroscopic mechanical oscillators in a similar fashion is to exploit the parametric coupling between optical and mechanical degrees of freedom through radiation pressure in suitably engineered optical cavities. If the optomechanical coupling is 'quantum coherent'--that is, if the coherent coupling rate exceeds both the optical and the mechanical decoherence rate--quantum states are transferred from the optical field to the mechanical oscillator and vice versa. This transfer allows control of the mechanical oscillator state using the wide range of available quantum optical techniques. So far, however, quantum-coherent coupling of micromechanical oscillators has only been achieved using microwave fields at millikelvin temperatures. Optical experiments have not attained this regime owing to the large mechanical decoherence rates and the difficulty of overcoming optical dissipation. Here we achieve quantum-coherent coupling between optical photons and a micromechanical oscillator. Simultaneously, coupling to the cold photon bath cools the mechanical oscillator to an average occupancy of 1.7 ± 0.1 motional quanta. Excitation with weak classical light pulses reveals the exchange of energy between the optical light field and the micromechanical oscillator in the time domain at the level of less than one quantum on average. This optomechanical system establishes an efficient quantum interface between mechanical oscillators and optical photons, which can provide decoherence-free transport of quantum states through optical fibres. Our results offer a route towards the use of mechanical oscillators as quantum transducers or in microwave-to-optical quantum links.

Physical realization of the Glauber quantum oscillator.

PubMed

Gentilini, Silvia; Braidotti, Maria Chiara; Marcucci, Giulia; DelRe, Eugenio; Conti, Claudio

2015-11-02

More than thirty years ago Glauber suggested that the link between the reversible microscopic and the irreversible macroscopic world can be formulated in physical terms through an inverted harmonic oscillator describing quantum amplifiers. Further theoretical studies have shown that the paradigm for irreversibility is indeed the reversed harmonic oscillator. As outlined by Glauber, providing experimental evidence of these idealized physical systems could open the way to a variety of fundamental studies, for example to simulate irreversible quantum dynamics and explain the arrow of time. However, supporting experimental evidence of reversed quantized oscillators is lacking. We report the direct observation of exploding n = 0 and n = 2 discrete states and Γ0 and Γ2 quantized decay rates of a reversed harmonic oscillator generated by an optical photothermal nonlinearity. Our results give experimental validation to the main prediction of irreversible quantum mechanics, that is, the existence of states with quantized decay rates. Our results also provide a novel perspective to optical shock-waves, potentially useful for applications as lasers, optical amplifiers, white-light and X-ray generation.

Continuous variable quantum optical simulation for time evolution of quantum harmonic oscillators

PubMed Central

Deng, Xiaowei; Hao, Shuhong; Guo, Hong; Xie, Changde; Su, Xiaolong

2016-01-01

Quantum simulation enables one to mimic the evolution of other quantum systems using a controllable quantum system. Quantum harmonic oscillator (QHO) is one of the most important model systems in quantum physics. To observe the transient dynamics of a QHO with high oscillation frequency directly is difficult. We experimentally simulate the transient behaviors of QHO in an open system during time evolution with an optical mode and a logical operation system of continuous variable quantum computation. The time evolution of an atomic ensemble in the collective spontaneous emission is analytically simulated by mapping the atomic ensemble onto a QHO. The measured fidelity, which is used for quantifying the quality of the simulation, is higher than its classical limit. The presented simulation scheme provides a new tool for studying the dynamic behaviors of QHO. PMID:26961962

Quantum harmonic oscillator in a thermal bath

NASA Technical Reports Server (NTRS)

Zhang, Yuhong

1993-01-01

The influence functional path-integral treatment of quantum Brownian motion is briefly reviewed. A newly derived exact master equation of a quantum harmonic oscillator coupled to a general environment at arbitrary temperature is discussed. It is applied to the problem of loss of quantum coherence.

A Novel Approach to Anharmonicity for a Wealth of Applications in Nonlinear Science Technologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hanusse, Patrick

2011-04-19

We present a new theory of the anharmonicity of nonlinear oscillations that are exhibited by many physical systems. New physical quantities are introduced that describe the departure from linear or harmonic behavior and as far as extremely anharmonic situations. In order to solve the nonlinear phase equation, the key notion of our theory, which controls the anharmonic behavior, a new and fascinating nonlinear trigonometry is designed. These results provide a general and accurate yet compact description of such signals, by far better than the Fourier description, both quantitatively and qualitatively and will benefit many application fields.

Exact semiclassical expansions for one-dimensional quantum oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delabaere, E.; Dillinger, H.; Pham, F.

1997-12-01

A set of rules is given for dealing with WKB expansions in the one-dimensional analytic case, whereby such expansions are not considered as approximations but as exact encodings of wave functions, thus allowing for analytic continuation with respect to whichever parameters the potential function depends on, with an exact control of small exponential effects. These rules, which include also the case when there are double turning points, are illustrated on various examples, and applied to the study of bound state or resonance spectra. In the case of simple oscillators, it is thus shown that the Rayleigh{endash}Schr{umlt o}dinger series is Borelmore » resummable, yielding the exact energy levels. In the case of the symmetrical anharmonic oscillator, one gets a simple and rigorous justification of the Zinn-Justin quantization condition, and of its solution in terms of {open_quotes}multi-instanton expansions.{close_quotes} {copyright} {ital 1997 American Institute of Physics.}« less

Quantum synchronization of chaotic oscillator behaviors among coupled BEC-optomechanical systems

NASA Astrophysics Data System (ADS)

Li, Wenlin; Li, Chong; Song, Heshan

2017-03-01

We consider and theoretically analyze a Bose-Einstein condensate (BEC) trapped inside an optomechanical system consisting of single-mode optical cavity with a moving end mirror. The BEC is formally analogous to a mirror driven by radiation pressure with strong nonlinear coupling. Such a nonlinear enhancement can make the oscillator display chaotic behavior. By establishing proper oscillator couplings, we find that this chaotic motion can be synchronized with other oscillators, even an oscillator network. We also discuss the scheme feasibility by analyzing recent experiment parameters. Our results provide a promising platform for the quantum signal transmission and quantum logic control, and they are of potential applications in quantum information processing and quantum networks.

Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon.

PubMed

Kim, D S; Hellman, O; Herriman, J; Smith, H L; Lin, J Y Y; Shulumba, N; Niedziela, J L; Li, C W; Abernathy, D L; Fultz, B

2018-02-27

Despite the widespread use of silicon in modern technology, its peculiar thermal expansion is not well understood. Adapting harmonic phonons to the specific volume at temperature, the quasiharmonic approximation, has become accepted for simulating the thermal expansion, but has given ambiguous interpretations for microscopic mechanisms. To test atomistic mechanisms, we performed inelastic neutron scattering experiments from 100 K to 1,500 K on a single crystal of silicon to measure the changes in phonon frequencies. Our state-of-the-art ab initio calculations, which fully account for phonon anharmonicity and nuclear quantum effects, reproduced the measured shifts of individual phonons with temperature, whereas quasiharmonic shifts were mostly of the wrong sign. Surprisingly, the accepted quasiharmonic model was found to predict the thermal expansion owing to a large cancellation of contributions from individual phonons.

Electromechanical quantum simulators

NASA Astrophysics Data System (ADS)

Tacchino, F.; Chiesa, A.; LaHaye, M. D.; Carretta, S.; Gerace, D.

2018-06-01

Digital quantum simulators are among the most appealing applications of a quantum computer. Here we propose a universal, scalable, and integrated quantum computing platform based on tunable nonlinear electromechanical nano-oscillators. It is shown that very high operational fidelities for single- and two-qubits gates can be achieved in a minimal architecture, where qubits are encoded in the anharmonic vibrational modes of mechanical nanoresonators, whose effective coupling is mediated by virtual fluctuations of an intermediate superconducting artificial atom. An effective scheme to induce large single-phonon nonlinearities in nanoelectromechanical devices is explicitly discussed, thus opening the route to experimental investigation in this direction. Finally, we explicitly show the very high fidelities that can be reached for the digital quantum simulation of model Hamiltonians, by using realistic experimental parameters in state-of-the-art devices, and considering the transverse field Ising model as a paradigmatic example.

Quantum information, oscillations and the psyche

NASA Astrophysics Data System (ADS)

Martin, F.; Carminati, F.; Galli Carminati, G.

2010-05-01

In this paper, taking the theory of quantum information as a model, we consider the human unconscious, pre-consciousness and consciousness as sets of quantum bits (qubits). We view how there can be communication between these various qubit sets. In doing this we are inspired by the theory of nuclear magnetic resonance. In this way we build a model of handling a mental qubit with the help of pulses of a mental field. Starting with an elementary interaction between two qubits we build two-qubit quantum logic gates that allow information to be transferred from one qubit to the other. In this manner we build a quantum process that permits consciousness to "read" the unconscious and vice versa. The elementary interaction, e.g. between a pre-consciousness qubit and a consciousness one, allows us to predict the time evolution of the pre-consciousness + consciousness system in which pre-consciousness and consciousness are quantum entangled. This time evolution exhibits Rabi oscillations that we name mental Rabi oscillations. This time evolution shows how for example the unconscious can influence consciousness. In a process like mourning the influence of the unconscious on consciousness, as the influence of consciousness on the unconscious, are in agreement with what is observed in psychiatry.

Intrinsic anharmonic effects on the phonon frequencies and effective spin-spin interactions in a quantum simulator made from trapped ions in a linear Paul trap

NASA Astrophysics Data System (ADS)

McAneny, M.; Freericks, J. K.

2014-11-01

The Coulomb repulsion between ions in a linear Paul trap gives rise to anharmonic terms in the potential energy when expanded about the equilibrium positions. We examine the effect of these anharmonic terms on the accuracy of a quantum simulator made from trapped ions. To be concrete, we consider a linear chain of Yb171+ ions stabilized close to the zigzag transition. We find that for typical experimental temperatures, frequencies change by no more than a factor of 0.01 % due to the anharmonic couplings. Furthermore, shifts in the effective spin-spin interactions (driven by a spin-dependent optical dipole force) are also, in general, less than 0.01 % for detunings to the blue of the transverse center-of-mass frequency. However, detuning the spin interactions near other frequencies can lead to non-negligible anharmonic contributions to the effective spin-spin interactions. We also examine an odd behavior exhibited by the harmonic spin-spin interactions for a range of intermediate detunings, where nearest-neighbor spins with a larger spatial separation on the ion chain interact more strongly than nearest neighbors with a smaller spatial separation.

Sculpting oscillators with light within a nonlinear quantum fluid

NASA Astrophysics Data System (ADS)

Tosi, G.; Christmann, G.; Berloff, N. G.; Tsotsis, P.; Gao, T.; Hatzopoulos, Z.; Savvidis, P. G.; Baumberg, J. J.

2012-03-01

Seeing macroscopic quantum states directly remains an elusive goal. Particles with boson symmetry can condense into quantum fluids, producing rich physical phenomena as well as proven potential for interferometric devices. However, direct imaging of such quantum states is only fleetingly possible in high-vacuum ultracold atomic condensates, and not in superconductors. Recent condensation of solid-state polariton quasiparticles, built from mixing semiconductor excitons with microcavity photons, offers monolithic devices capable of supporting room-temperature quantum states that exhibit superfluid behaviour. Here we use microcavities on a semiconductor chip supporting two-dimensional polariton condensates to directly visualize the formation of a spontaneously oscillating quantum fluid. This system is created on the fly by injecting polaritons at two or more spatially separated pump spots. Although oscillating at tunable THz frequencies, a simple optical microscope can be used to directly image their stable archetypal quantum oscillator wavefunctions in real space. The self-repulsion of polaritons provides a solid-state quasiparticle that is so nonlinear as to modify its own potential. Interference in time and space reveals the condensate wavepackets arise from non-equilibrium solitons. Control of such polariton-condensate wavepackets demonstrates great potential for integrated semiconductor-based condensate devices.

Quantum oscillations in nodal line systems

NASA Astrophysics Data System (ADS)

Yang, Hui; Moessner, Roderich; Lim, Lih-King

2018-04-01

We study signatures of magnetic quantum oscillations in three-dimensional nodal line semimetals at zero temperature. The extended nature of the degenerate bands can result in a Fermi surface geometry with topological genus one, as well as a Fermi surface of electron and hole pockets encapsulating the nodal line. Moreover, the underlying two-band model to describe a nodal line is not unique, in that there are two classes of Hamiltonian with distinct band topology giving rise to the same Fermi-surface geometry. After identifying the extremal cyclotron orbits in various magnetic field directions, we study their concomitant Landau levels and resulting quantum oscillation signatures. By Landau-fan-diagram analyses, we extract the nontrivial π Berry phase signature for extremal orbits linking the nodal line.

Neutrino oscillation processes in a quantum-field-theoretical approach

NASA Astrophysics Data System (ADS)

Egorov, Vadim O.; Volobuev, Igor P.

2018-05-01

It is shown that neutrino oscillation processes can be consistently described in the framework of quantum field theory using only the plane wave states of the particles. Namely, the oscillating electron survival probabilities in experiments with neutrino detection by charged-current and neutral-current interactions are calculated in the quantum field-theoretical approach to neutrino oscillations based on a modification of the Feynman propagator in the momentum representation. The approach is most similar to the standard Feynman diagram technique. It is found that the oscillating distance-dependent probabilities of detecting an electron in experiments with neutrino detection by charged-current and neutral-current interactions exactly coincide with the corresponding probabilities calculated in the standard approach.

Quantum effects and anharmonicity in the H2-Li+-benzene complex: A model for hydrogen storage materials

NASA Astrophysics Data System (ADS)

Kolmann, Stephen J.; D'Arcy, Jordan H.; Jordan, Meredith J. T.

2013-12-01

Quantum and anharmonic effects are investigated in H2-Li+-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials. Three- and 8-dimensional quantum diffusion Monte Carlo (QDMC) and rigid-body diffusion Monte Carlo (RBDMC) simulations are performed on potential energy surfaces interpolated from electronic structure calculations at the M05-2X/6-31+G(d,p) and M05-2X/6-311+G(2df,p) levels of theory using a three-dimensional spline or a modified Shepard interpolation. These calculations investigate the intermolecular interactions in this system, with three- and 8-dimensional 0 K H2 binding enthalpy estimates, ΔHbind (0 K), being 16.5 kJ mol-1 and 12.4 kJ mol-1, respectively: 0.1 and 0.6 kJ mol-1 higher than harmonic values. Zero-point energy effects are 35% of the value of ΔHbind (0 K) at M05-2X/6-311+G(2df,p) and cannot be neglected; uncorrected electronic binding energies overestimate ΔHbind (0 K) by at least 6 kJ mol-1. Harmonic intermolecular binding enthalpies can be corrected by treating the H2 "helicopter" and "ferris wheel" rotations as free and hindered rotations, respectively. These simple corrections yield results within 2% of the 8-dimensional anharmonic calculations. Nuclear ground state probability density histograms obtained from the QDMC and RBDMC simulations indicate the H2 molecule is delocalized above the Li+-benzene system at 0 K.

Generation of entanglement in quantum parametric oscillators using phase control.

PubMed

Gonzalez-Henao, J C; Pugliese, E; Euzzor, S; Abdalah, S F; Meucci, R; Roversi, J A

2015-08-19

The control of quantum entanglement in systems in contact with environment plays an important role in information processing, cryptography and quantum computing. However, interactions with the environment, even when very weak, entail decoherence in the system with consequent loss of entanglement. Here we consider a system of two coupled oscillators in contact with a common heat bath and with a time dependent oscillation frequency. The possibility to control the entanglement of the oscillators by means of an external sinusoidal perturbation applied to the oscillation frequency has been theoretically explored. We demonstrate that the oscillators become entangled exactly in the region where the classical counterpart is unstable, otherwise when the classical system is stable, entanglement is not possible. Therefore, we can control the entanglement swapping from stable to unstable regions by adjusting amplitude and phase of our external controller. We also show that the entanglement rate is approximately proportional to the real part of the Floquet coefficient of the classical counterpart of the oscillators. Our results have the intriguing peculiarity of manipulating quantum information operating on a classical system.

On-chip quantum tomography of mechanical nanoscale oscillators with guided Rydberg atoms

NASA Astrophysics Data System (ADS)

Sanz-Mora, A.; Wüster, S.; Rost, J.-M.

2017-07-01

Nanomechanical oscillators as well as Rydberg-atomic waveguides hosted on microfabricated chip surfaces hold promise to become pillars of future quantum technologies. In a hybrid platform with both, we show that beams of Rydberg atoms in waveguides can quantum coherently interrogate and manipulate nanomechanical elements, allowing full quantum state tomography. Central to the tomography are quantum nondemolition measurements using the Rydberg atoms as probes. Quantum coherent displacement of the oscillator is also made possible by driving the atoms with external fields while they interact with the oscillator. We numerically demonstrate the feasibility of this fully integrated on-chip control and read-out suite for quantum nanomechanics, taking into account noise and error sources.

Can the oscillator strength of the quantum dot bandgap transition exceed unity?

NASA Astrophysics Data System (ADS)

Hens, Z.

2008-10-01

We discuss the apparent contradiction between the Thomas-Reiche-Kuhn sum rule for oscillator strengths and recent experimental data on the oscillator strength of the band gap transition of quantum dots. Starting from two simple single electron model systems, we show that the sum rule does not limit this oscillator strength to values below unity, or below the number of electrons in the highest occupied single electron state. The only upper limit the sum rule imposes on the oscillator strength of the quantum dot band gap transition is the total number of electrons in the quantum dot.

Quantum-classical correspondence for the inverted oscillator

NASA Astrophysics Data System (ADS)

Maamache, Mustapha; Ryeol Choi, Jeong

2017-11-01

While quantum-classical correspondence for a system is a very fundamental problem in modern physics, the understanding of its mechanism is often elusive, so the methods used and the results of detailed theoretical analysis have been accompanied by active debate. In this study, the differences and similarities between quantum and classical behavior for an inverted oscillator have been analyzed based on the description of a complete generalized Airy function-type quantum wave solution. The inverted oscillator model plays an important role in several branches of cosmology and particle physics. The quantum wave packet of the system is composed of many sub-packets that are localized at different positions with regular intervals between them. It is shown from illustrations of the probability density that, although the quantum trajectory of the wave propagation is somewhat different from the corresponding classical one, the difference becomes relatively small when the classical excitation is sufficiently high. We have confirmed that a quantum wave packet moving along a positive or negative direction accelerates over time like a classical wave. From these main interpretations and others in the text, we conclude that our theory exquisitely illustrates quantum and classical correspondence for the system, which is a crucial concept in quantum mechanics. Supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2016R1D1A1A09919503)

All-Phononic Digital Transistor on the Basis of Gap-Soliton Dynamics in an Anharmonic Oscillator Ladder.

PubMed

Malishava, Merab; Khomeriki, Ramaz

2015-09-04

A conceptual mechanism of amplification of phonons by phonons on the basis of a nonlinear band-gap transmission (supratransmission) phenomenon is presented. As an example, a system of weakly coupled chains of anharmonic oscillators is considered. One (source) chain is driven harmonically by a boundary with a frequency located in the upper band close to the band edge of the ladder system. Amplification happens when a second (gate) chain is driven by a small signal in the counterphase and with the same frequency as the first chain. If the total driving of both chains overcomes the band-gap transmission threshold, the large amplitude band-gap soliton emerges and the amplification scenario is realized. The mechanism is interpreted as the nonlinear superposition of evanescent and propagating nonlinear modes manifesting in a single or double soliton generation working in band-gap or bandpass regimes, respectively. The results could be straightforwardly generalized for all-optical or all-magnonic contexts and have all the promise of logic gate operations.

All-Phononic Digital Transistor on the Basis of Gap-Soliton Dynamics in an Anharmonic Oscillator Ladder

NASA Astrophysics Data System (ADS)

Malishava, Merab; Khomeriki, Ramaz

2015-09-01

A conceptual mechanism of amplification of phonons by phonons on the basis of a nonlinear band-gap transmission (supratransmission) phenomenon is presented. As an example, a system of weakly coupled chains of anharmonic oscillators is considered. One (source) chain is driven harmonically by a boundary with a frequency located in the upper band close to the band edge of the ladder system. Amplification happens when a second (gate) chain is driven by a small signal in the counterphase and with the same frequency as the first chain. If the total driving of both chains overcomes the band-gap transmission threshold, the large amplitude band-gap soliton emerges and the amplification scenario is realized. The mechanism is interpreted as the nonlinear superposition of evanescent and propagating nonlinear modes manifesting in a single or double soliton generation working in band-gap or bandpass regimes, respectively. The results could be straightforwardly generalized for all-optical or all-magnonic contexts and have all the promise of logic gate operations.

Dissipative quantum trajectories in complex space: Damped harmonic oscillator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton–Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation formore » the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.« less

Testing Quantum Gravity Induced Nonlocality via Optomechanical Quantum Oscillators.

PubMed

Belenchia, Alessio; Benincasa, Dionigi M T; Liberati, Stefano; Marin, Francesco; Marino, Francesco; Ortolan, Antonello

2016-04-22

Several quantum gravity scenarios lead to physics below the Planck scale characterized by nonlocal, Lorentz invariant equations of motion. We show that such nonlocal effective field theories lead to a modified Schrödinger evolution in the nonrelativistic limit. In particular, the nonlocal evolution of optomechanical quantum oscillators is characterized by a spontaneous periodic squeezing that cannot be generated by environmental effects. We discuss constraints on the nonlocality obtained by past experiments, and show how future experiments (already under construction) will either see such effects or otherwise cast severe bounds on the nonlocality scale (well beyond the current limits set by the Large Hadron Collider). This paves the way for table top, high precision experiments on massive quantum objects as a promising new avenue for testing some quantum gravity phenomenology.

Quantum oscillations in the heavy-fermion compound YbPtBi

DOE PAGES

Mun, E.; Bud'ko, S. L.; Lee, Y.; ...

2015-08-01

We present quantum oscillations observed in the heavy-fermion compound YbPtBi in magnetic fields far beyond its field-tuned, quantum critical point. Quantum oscillations are observed in magnetic fields as low as 60 kOe at 60 mK and up to temperatures as high as 3 K, which confirms the very high quality of the samples as well as the small effective mass of the conduction carriers far from the quantum critical point. Although the electronic specific heat coefficient of YbPtBi reaches ~7.4 J/molK 2 in zero field, which is one of the highest effective mass values among heavy-fermion systems, we suppress itmore » quickly by an applied magnetic field. The quantum oscillations were used to extract the quasiparticle effective masses of the order of the bare electron mass, which is consistent with the behavior observed in specific heat measurements. Furthermore, such small effective masses at high fields can be understood by considering the suppression of Kondo screening.« less

Transfer of non-Gaussian quantum states of mechanical oscillator to light

NASA Astrophysics Data System (ADS)

Filip, Radim; Rakhubovsky, Andrey A.

2015-11-01

Non-Gaussian quantum states are key resources for quantum optics with continuous-variable oscillators. The non-Gaussian states can be deterministically prepared by a continuous evolution of the mechanical oscillator isolated in a nonlinear potential. We propose feasible and deterministic transfer of non-Gaussian quantum states of mechanical oscillators to a traveling light beam, using purely all-optical methods. The method relies on only basic feasible and high-quality elements of quantum optics: squeezed states of light, linear optics, homodyne detection, and electro-optical feedforward control of light. By this method, a wide range of novel non-Gaussian states of light can be produced in the future from the mechanical states of levitating particles in optical tweezers, including states necessary for the implementation of an important cubic phase gate.

Collisional entanglement fidelities in quantum plasmas including strong quantum recoil and oscillation effects

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2017-10-01

The quantum recoil and oscillation effects on the entanglement fidelity and the electron-exchange function for the electron-ion collision are investigated in a semiconductor plasma by using the partial wave analysis and effective interaction potential in strong quantum recoil regime. The magnitude of the electron-exchange function is found to increase as the collision energy increases, but it decreases with an increase in the exchange parameter. It is also found that the collisional entanglement fidelity in strong quantum recoil plasmas is enhanced by the quantum-mechanical and shielding effects. The collisional entanglement fidelity in a semiconductor plasma is also enhanced by the collective plasmon oscillation and electron-exchange effect. However, the electron-exchange effect on the fidelity ratio function is reduced as the plasmon energy increases. Moreover, the electron-exchange influence on the fidelity ratio function is found to increase as the Fermi energy in the semiconductor plasma increases.

Quantum effects of translational motions in solid para-hydrogen and ortho-deuterium: anharmonic extension of the Einstein model.

PubMed

Kühn, O; Manz, J; Schild, A

2010-04-07

An anharmonic extension of the Einstein model is developed in order to describe the effect of translational zero point motion on structural and thermodynamic properties of para-H(2) and ortho-D(2) crystals in the zero temperature limit. Accordingly, the molecules carry out large amplitude translational motions in their matrix cage, which are formed by the frozen environment of all other molecules. These translations lead from the molecular equilibrium positions via the harmonic to the anharmonic domain of the potential energy surface. The resulting translational distributions are roughly isotropic, and they have approximately Gaussian shapes, with rather broad full widths at half-maximum, FWHM(para-H(2)/ortho-D(2)) = 1.36/1.02 Å. The translational zero point energies induce expansions of the crystals, in nearly quantitative agreement with experimental results. Furthermore, they make significant contributions to the sublimation energies and zero pressure bulk moduli. These quantum effects decrease with heavier molecular masses. The corresponding isotope effects for ortho-D(2) compared to para-H(2) are confirmed by application of the model to Ar crystals. The results imply consequences for laser induced reaction dynamics of dopants with their host crystals.

Studies of Phonon Anharmonicity in Solids

NASA Astrophysics Data System (ADS)

Lan, Tian

the Fourier transformed velocity autocorrelation method to handle the big data of time-dependent atomic velocities from MD calculations, and efficiently reconstructs the phonon DOS and phonon dispersion relations. Our calculations can reproduce the phonon frequency shifts and lifetime broadenings very well at various temperatures. To understand non-harmonic interactions in a microscopic way, we have developed a numerical fitting method to analyze the decay channels of phonon-phonon interactions. Based on the quantum perturbation theory of many-body interactions, this method is used to calculate the three-phonon and four-phonon kinematics subject to the conservation of energy and momentum, taking into account the weight of phonon couplings. We can assess the strengths of phonon-phonon interactions of different channels and anharmonic orders with the calculated two-phonon DOS. This method, with high computational efficiency, is a promising direction to advance our understandings of non-harmonic lattice dynamics and thermal transport properties. These experimental techniques and theoretical methods have been successfully performed in the study of anharmonic behaviors of metal oxides, including rutile and cuprite stuctures, and will be discussed in detail in Chapters 4 to 6. For example, for rutile titanium dioxide (TiO2), we found that the anomalous anharmonic behavior of the B1g mode can be explained by the volume effects on quasiharmonic force constants, and by the explicit cubic and quartic anharmonicity. For rutile tin dioxide (SnO2), the broadening of the B2 g mode with temperature showed an unusual concave downwards curvature. This curvature was caused by a change with temperature in the number of down-conversion decay channels, originating with the wide band gap in the phonon dispersions. For silver oxide (Ag2O), strong anharmonic effects were found for both phonons and for the negative thermal expansion.

Defects and anharmonicity induced electron spectra of YBa2Cu3O7-δ superconductors

NASA Astrophysics Data System (ADS)

Singh, Anu; Indu, B. D.

2018-05-01

The effects of defects and anharmonicities on the electron density of states (EDOS) have been studied in high-temperature superconductors (HTS) adopting the many body quantum dynamical theory of electron Green's functions via a generalized Hamiltonian that includes the effects of electron-phonon interactions, anharmonicities and point impurities. The automatic emergence of pairons and temperature dependence of EDOS are appear as special feature of the theory. The results thus obtained and their numerical analysis for YBa2Cu3O7-δ superconductors clearly demonstrate that the presence of defects, anharmonicities and electron-phonon interactions modifies the behavior of EDOS over a wide range of temperature.

The Wonders of Supersymmetry: From Quantum Mechanics, Topology, and Noise, to (maybe) the LHC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poppitz, Erich

2010-04-07

Supersymmetry, relating bosons and fermions was discovered almost 40 years ago in string theory and in quantum field theory, but the seeds of its 'miraculous' properties could have been seen already in quantum mechanics - which is also where it has found some of its more important applications. This talk introduces supersymmetry via the supersymmetric anharmonic oscillator. We shall see that this seemingly trivial example is sufficiently rich, allowing us to illustrate the uses of supersymmetric concepts in a variety of fields: mathematics, elementary particle physics, critical phenomena, and stochastic dynamics.

The Wonders of Supersymmetry: From Quantum Mechanics, Topology, and Noise, to (maybe) the LHC

ScienceCinema

Poppitz, Erich

2017-12-22

Supersymmetry, relating bosons and fermions was discovered almost 40 years ago in string theory and in quantum field theory, but the seeds of its 'miraculous' properties could have been seen already in quantum mechanics - which is also where it has found some of its more important applications. This talk introduces supersymmetry via the supersymmetric anharmonic oscillator. We shall see that this seemingly trivial example is sufficiently rich, allowing us to illustrate the uses of supersymmetric concepts in a variety of fields: mathematics, elementary particle physics, critical phenomena, and stochastic dynamics.

Quantum enhanced feedback cooling of a mechanical oscillator using nonclassical light.

PubMed

Schäfermeier, Clemens; Kerdoncuff, Hugo; Hoff, Ulrich B; Fu, Hao; Huck, Alexander; Bilek, Jan; Harris, Glen I; Bowen, Warwick P; Gehring, Tobias; Andersen, Ulrik L

2016-11-29

Laser cooling is a fundamental technique used in primary atomic frequency standards, quantum computers, quantum condensed matter physics and tests of fundamental physics, among other areas. It has been known since the early 1990s that laser cooling can, in principle, be improved by using squeezed light as an electromagnetic reservoir; while quantum feedback control using a squeezed light probe is also predicted to allow improved cooling. Here we show the implementation of quantum feedback control of a micro-mechanical oscillator using squeezed probe light. This allows quantum-enhanced feedback cooling with a measurement rate greater than it is possible with classical light, and a consequent reduction in the final oscillator temperature. Our results have significance for future applications in areas ranging from quantum information networks, to quantum-enhanced force and displacement measurements and fundamental tests of macroscopic quantum mechanics.

Self-sustaining dynamical nuclear polarization oscillations in quantum dots.

PubMed

Rudner, M S; Levitov, L S

2013-02-22

Early experiments on spin-blockaded double quantum dots revealed robust, large-amplitude current oscillations in the presence of a static (dc) source-drain bias. Despite experimental evidence implicating dynamical nuclear polarization, the mechanism has remained a mystery. Here we introduce a minimal albeit realistic model of coupled electron and nuclear spin dynamics which supports self-sustained oscillations. Our mechanism relies on a nuclear spin analog of the tunneling magnetoresistance phenomenon (spin-dependent tunneling rates in the presence of an inhomogeneous Overhauser field) and nuclear spin diffusion, which governs dynamics of the spatial profile of nuclear polarization. The proposed framework naturally explains the differences in phenomenology between vertical and lateral quantum dot structures as well as the extremely long oscillation periods.

Quantum turbulence generated by oscillating structures

PubMed Central

Vinen, William F.; Skrbek, Ladislav

2014-01-01

The paper summarizes important aspects of quantum turbulence that have been studied successfully with oscillating structures. It describes why some aspects are proving hard to interpret, and it outlines the need for new types of experiment and new developments in theoretical and computational work. PMID:24704877

Using qubits to reveal quantum signatures of an oscillator

NASA Astrophysics Data System (ADS)

Agarwal, Shantanu

In this thesis, we seek to study the qubit-oscillator system with the aim to identify and quantify inherent quantum features of the oscillator. We show that the quantum signatures of the oscillator get imprinted on the dynamics of the joint system. The two key features which we explore are the quantized energy spectrum of the oscillator and the non-classicality of the oscillator's wave function. To investigate the consequences of the oscillator's discrete energy spectrum, we consider the qubit to be coupled to the oscillator through the Rabi Hamiltonian. Recent developments in fabrication technology have opened up the possibility to explore parameter regimes which were conventionally inaccessible. Motivated by these advancements, we investigate in this thesis a parameter space where the qubit frequency is much smaller than the oscillator frequency and the Rabi frequency is allowed to be an appreciable fraction of the bare frequency of the oscillator. We use the adiabatic approximation to understand the dynamics in this quasi-degenerate qubit regime. By deriving a dressed master equation, we systematically investigate the effects of the environment on the system dynamics. We develop a spectroscopic technique, using which one can probe the steady state response of the driven and damped system. The spectroscopic signal clearly reveals the quantized nature of the oscillator's energy spectrum. We extend the adiabatic approximation, earlier developed only for the single qubit case, to a scenario where multiple qubits interact with the oscillator. Using the extended adiabatic approximation, we study the collapse and revival of multi-qubit observables. We develop analytic expressions for the revival signals which are in good agreement with the numerically evaluated results. Within the quantum restriction imposed by Heisenberg's uncertainty principle, the uncertainty in the position and momentum of an oscillator is minimum and shared equally when the oscillator is prepared

Design of blade-shaped-electrode linear ion traps with reduced anharmonic contributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, K.; Che, H.; Ge, Y. P.

2015-09-21

RF quadrupole linear Paul traps are versatile tools in quantum physics experiments. Linear Paul traps with blade-shaped electrodes have the advantages of larger solid angles for fluorescence collection. But with these kinds of traps, the existence of higher-order anharmonic terms of the trap potentials can cause large heating rate for the trapped ions. In this paper, we theoretically investigate the dependence of higher-order terms of trap potentials on the geometry of blade-shaped traps, and offer an optimized design. A modified blade electrodes trap is proposed to further reduce higher-order anharmonic terms while still retaining large fluorescence collection angle.

Terahertz quantum cascade laser as local oscillator in a heterodyne receiver.

PubMed

Hübers, Heinz-Wilhelm; Pavlov, S; Semenov, A; Köhler, R; Mahler, L; Tredicucci, A; Beere, H; Ritchie, D; Linfield, E

2005-07-25

Terahertz quantum cascade lasers have been investigated with respect to their performance as a local oscillator in a heterodyne receiver. The beam profile has been measured and transformed in to a close to Gaussian profile resulting in a good matching between the field patterns of the quantum cascade laser and the antenna of a superconducting hot electron bolometric mixer. Noise temperature measurements with the hot electron bolometer and a 2.5 THz quantum cascade laser yielded the same result as with a gas laser as local oscillator.

Polarization-dependent Rabi oscillations in single InGaAs quantum dots

NASA Astrophysics Data System (ADS)

Besombes, L.; Baumberg, J. J.; Motohisa, J.

2004-04-01

Measurements of optical Rabi oscillations in the excited states of individual InGaAs are presented. Under pulsed resonant excitation we observe Rabi oscillations with increasing pulse area, which are damped after the first maximum and minimum. We show that the observed damping comes from an additional non-resonant generation of carriers in the quantum dot. The observation of Rabi oscillations provides an efficient way of directly measuring the excitonic transitions' dipole moments. A polarization anisotropy of the dipole moment is resolved in some of the quantum dots.

Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline L-alanine

NASA Astrophysics Data System (ADS)

Williams, Robert W.; Schlücker, Sebastian; Hudson, Bruce S.

2008-01-01

A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes.

Logarithmic singularities and quantum oscillations in magnetically doped topological insulators

NASA Astrophysics Data System (ADS)

Nandi, D.; Sodemann, Inti; Shain, K.; Lee, G. H.; Huang, K.-F.; Chang, Cui-Zu; Ou, Yunbo; Lee, S. P.; Ward, J.; Moodera, J. S.; Kim, P.; Yacoby, A.

2018-02-01

We report magnetotransport measurements on magnetically doped (Bi,Sb ) 2Te3 films grown by molecular beam epitaxy. In Hall bar devices, we observe logarithmic dependence of transport coefficients in temperature and bias voltage which can be understood to arise from electron-electron interaction corrections to the conductivity and self-heating. Submicron scale devices exhibit intriguing quantum oscillations at high magnetic fields with dependence on bias voltage. The observed quantum oscillations can be attributed to bulk and surface transport.

An Anharmonic Solution to the Equation of Motion for the Simple Pendulum

ERIC Educational Resources Information Center

Johannessen, Kim

2011-01-01

An anharmonic solution to the differential equation describing the oscillations of a simple pendulum at large angles is discussed. The solution is expressed in terms of functions not involving the Jacobi elliptic functions. In the derivation, a sinusoidal expression, including a linear and a Fourier sine series in the argument, has been applied.…

Quantum damped oscillator I: Dissipation and resonances

NASA Astrophysics Data System (ADS)

Chruściński, Dariusz; Jurkowski, Jacek

2006-04-01

Quantization of a damped harmonic oscillator leads to so called Bateman’s dual system. The corresponding Bateman’s Hamiltonian, being a self-adjoint operator, displays the discrete family of complex eigenvalues. We show that they correspond to the poles of energy eigenvectors and the corresponding resolvent operator when continued to the complex energy plane. Therefore, the corresponding generalized eigenvectors may be interpreted as resonant states which are responsible for the irreversible quantum dynamics of a damped harmonic oscillator.

Scleronomic Holonomic Constraints and Conservative Nonlinear Oscillators

ERIC Educational Resources Information Center

Munoz, R.; Gonzalez-Garcia, G.; Izquierdo-De La Cruz, E.; Fernandez-Anaya, G.

2011-01-01

A bead sliding, under the sole influence of its own weight, on a rigid wire shaped in the fashion of a plane curve, will describe (generally anharmonic) oscillations around a local minimum. For given shapes, the bead will behave as a harmonic oscillator in the whole range, such as an unforced, undamped, Duffing oscillator, etc. We also present…

Torque Studies of Quantum Oscillations in Anisotropic Metals and Superconductors

NASA Astrophysics Data System (ADS)

Julian, Stephen

1998-03-01

Quantum oscillations provide unique information about the properties of charged quasiparticles at the Fermi surface, but their measurement demands both very pure samples and extremely high measurement sensitivity. Shoenberg first used a torque method to study de Haas van Alphen oscillations in 1937. Since then, under the combined influence of the development of competing techniques, the evolution of magnet technology, and the changing frontiers of condensed matter physics, the technique has come in and out of vogue a number of times. Today the method is undergoing a renaissance for two reasons. Firstly it is ideally suited to the study of quantum oscillations in highly anisotropic metals such as organic metals,( C. Lupien, L. Taillefer, et al., to be published.) two dimensional electron gases in semiconductor heterostructures,( S.A.J. Wiegers, M. Specht, L.P. Lévy, M.Y. Simmons, D.A. Ritchie, A. Cavanna, B. Etienne, G. Martinez and P. Wyder, Phys. Rev. Lett. 79) (1997) 3238, and references therein. and strongly correlated oxides,( C. Bergemann, S.R. Julian, A.P. Mackenzie, et al., to be published.) all of which have become subjects of intense interest. Secondly, the development of micromachined levers allows the observation of quantum oscillations in nanogram sized samples. It is hoped that this will allow the study of quasiparticle Fermi surfaces in the large number of materials for which only very small single crystals are available. In this talk the information available from quantum oscillation measurements, and the historical development of the torque technique, will be reviewed. An overview will then be given of recent measurements, emphasising the advantages and disadvantages of the torque method as compared with competing techniques.

Dark soliton decay due to trap anharmonicity in atomic Bose-Einstein condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, N. G.; Department of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1; School of Food Science and Nutrition, University of Leeds, Leeds LS2 9JT

2010-03-15

A number of recent experiments with nearly pure atomic Bose-Einstein condensates have confirmed the predicted dark soliton oscillations when under harmonic trapping. However, a dark soliton propagating in an inhomogeneous condensate has also been predicted to be unstable to the emission of sound waves. Although harmonic trapping supports an equilibrium between the coexisting soliton and sound, we show that the ensuing dynamics are sensitive to trap anharmonicities. Such anharmonicities can break the soliton-sound equilibrium and lead to the net decay of the soliton on a considerably shorter time scale than other dissipation mechanisms. Thus, we propose that small realistic modificationsmore » to existing experimental setups could enable the experimental observation of this decay channel.« less

Noncommutative Quantum Mechanics based on Representations of Exotic Galilei Group

NASA Astrophysics Data System (ADS)

Amorim, R. G. G.; Ulhoa, S. C.

2018-02-01

Using elements of symmetry, we constructed the Noncommutative Schrödinger Equation from a representation of Exotic Galilei Group. As a consequence, we derive the Ehrenfest theorem using noncommutative coordinates. We also have showed others features of quantum mechanics in such a manifold. As an important result, we find out that a linear potential in the noncommutative Schrödinger equation is completely analogous to the ordinary case. We also worked with harmonic and anharmonic oscillators, giving corrections in the energy for each one.

Nonadiabatic effect on the quantum heat flux control.

PubMed

Uchiyama, Chikako

2014-05-01

We provide a general formula of quantum transfer that includes the nonadiabatic effect under periodic environmental modulation by using full counting statistics in Hilbert-Schmidt space. Applying the formula to an anharmonic junction model that interacts with two bosonic environments within the Markovian approximation, we find that the quantum transfer is divided into the adiabatic (dynamical and geometrical phases) and nonadiabatic contributions. This extension shows the dependence of quantum transfer on the initial condition of the anharmonic junction just before the modulation, as well as the characteristic environmental parameters such as interaction strength and cut-off frequency of spectral density. We show that the nonadiabatic contribution represents the reminiscent effect of past modulation including the transition from the initial condition of the anharmonic junction to a steady state determined by the very beginning of the modulation. This enables us to tune the frequency range of modulation, whereby we can obtain the quantum flux corresponding to the geometrical phase by setting the initial condition of the anharmonic junction.

Arbitrary-quantum-state preparation of a harmonic oscillator via optimal control

NASA Astrophysics Data System (ADS)

Rojan, Katharina; Reich, Daniel M.; Dotsenko, Igor; Raimond, Jean-Michel; Koch, Christiane P.; Morigi, Giovanna

2014-08-01

The efficient initialization of a quantum system is a prerequisite for quantum technological applications. Here we show that several classes of quantum states of a harmonic oscillator can be efficiently prepared by means of a Jaynes-Cummings interaction with a single two-level system. This is achieved by suitably tailoring external fields which drive the dipole and/or the oscillator. The time-dependent dynamics that leads to the target state is identified by means of optimal control theory (OCT) based on Krotov's method. Infidelities below 10-4 can be reached for the parameters of the experiment of Raimond, Haroche, Brune and co-workers, where the oscillator is a mode of a high-Q microwave cavity and the dipole is a Rydberg transition of an atom. For this specific situation we analyze the limitations on the fidelity due to parameter fluctuations and identify robust dynamics based on pulses found using ensemble OCT. Our analysis can be extended to quantum-state preparation of continuous-variable systems in other platforms, such as trapped ions and circuit QED.

Boltzmann sampling from the Ising model using quantum heating of coupled nonlinear oscillators.

PubMed

Goto, Hayato; Lin, Zhirong; Nakamura, Yasunobu

2018-05-08

A network of Kerr-nonlinear parametric oscillators without dissipation has recently been proposed for solving combinatorial optimization problems via quantum adiabatic evolution through its bifurcation point. Here we investigate the behavior of the quantum bifurcation machine (QbM) in the presence of dissipation. Our numerical study suggests that the output probability distribution of the dissipative QbM is Boltzmann-like, where the energy in the Boltzmann distribution corresponds to the cost function of the optimization problem. We explain the Boltzmann distribution by generalizing the concept of quantum heating in a single nonlinear oscillator to the case of multiple coupled nonlinear oscillators. The present result also suggests that such driven dissipative nonlinear oscillator networks can be applied to Boltzmann sampling, which is used, e.g., for Boltzmann machine learning in the field of artificial intelligence.

Zeeman effect of the topological surface states revealed by quantum oscillations up to 91 Tesla

DOE PAGES

Zhang, Zuocheng; Wei, Wei; Yang, Fangyuan; ...

2015-12-01

In this paper, we report quantum oscillation studies on the Bi 2Te 3-xS x topological insulator single crystals in pulsed magnetic fields up to 91 T. For the x = 0.4 sample with the lowest bulk carrier density, the surface and bulk quantum oscillations can be disentangled by combined Shubnikov–de Haas and de Hass–van Alphen oscillations, as well as quantum oscillations in nanometer-thick peeled crystals. At high magnetic fields beyond the bulk quantum limit, our results suggest that the zeroth Landau level of topological surface states is shifted due to the Zeeman effect. The g factor of the topological surfacemore » states is estimated to be between 1.8 and 4.5. Lastly, these observations shed new light on the quantum transport phenomena of topological insulators in ultrahigh magnetic fields.« less

Power loss of an oscillating electric dipole in a quantum plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghaderipoor, L.; Mehramiz, A.

2012-12-15

A system of linearized quantum plasma equations (quantum hydrodynamic model) has been used for investigating the dispersion equation for electrostatic waves in the plasma. Furthermore, dispersion relations and their modifications due to quantum effects are used for calculating the power loss of an oscillating electric dipole. Finally, the results are compared in quantum and classical regimes.

Quantum resonances in a single plaquette of Josephson junctions: excitations of Rabi oscillations

NASA Astrophysics Data System (ADS)

Fistul, M. V.

2002-03-01

We present a theoretical study of a quantum regime of the resistive (whirling) state of dc driven anisotropic single plaquette containing small Josephson junctions. The current-voltage characteristics of such systems display resonant steps that are due to the resonant interaction between the time dependent Josephson current and the excited electromagnetic oscillations (EOs). The voltage positions of the resonances are determined by the quantum interband transitions of EOs. We show that in the quantum regime as the system is driven on the resonance, coherent Rabi oscillations between the quantum levels of EOs occur. At variance with the classical regime the magnitude and the width of resonances are determined by the frequency of Rabi oscillations that in turn, depends in a peculiar manner on an externally applied magnetic field and the parameters of the system.

Repelling, binding, and oscillating of two-particle discrete-time quantum walks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Qinghao; Li, Zhi-Jian, E-mail: zjli@sxu.edu.cn

In this paper, we investigate the effects of particle–particle interaction and static force on the propagation of probability distribution in two-particle discrete-time quantum walk, where the interaction and static force are expressed as a collision phase and a linear position-dependent phase, respectively. It is found that the interaction can lead to boson repelling and fermion binding. The static force also induces Bloch oscillation and results in a continuous transition from boson bunching to fermion anti-bunching. The interplays of particle–particle interaction, quantum interference, and Bloch oscillation provide a versatile framework to study and simulate many-particle physics via quantum walks.

Coherent Dynamics of a Hybrid Quantum Spin-Mechanical Oscillator System

NASA Astrophysics Data System (ADS)

Lee, Kenneth William, III

A fully functional quantum computer must contain at least two important components: a quantum memory for storing and manipulating quantum information and a quantum data bus to securely transfer information between quantum memories. Typically, a quantum memory is composed of a matter system, such as an atom or an electron spin, due to their prolonged quantum coherence. Alternatively, a quantum data bus is typically composed of some propagating degree of freedom, such as a photon, which can retain quantum information over long distances. Therefore, a quantum computer will likely be a hybrid quantum device, consisting of two or more disparate quantum systems. However, there must be a reliable and controllable quantum interface between the memory and bus in order to faithfully interconvert quantum information. The current engineering challenge for quantum computers is scaling the device to large numbers of controllable quantum systems, which will ultimately depend on the choice of the quantum elements and interfaces utilized in the device. In this thesis, we present and characterize a hybrid quantum device comprised of single nitrogen-vacancy (NV) centers embedded in a high quality factor diamond mechanical oscillator. The electron spin of the NV center is a leading candidate for the realization of a quantum memory due to its exceptional quantum coherence times. On the other hand, mechanical oscillators are highly sensitive to a wide variety of external forces, and have the potential to serve as a long-range quantum bus between quantum systems of disparate energy scales. These two elements are interfaced through crystal strain generated by vibrations of the mechanical oscillator. Importantly, a strain interface allows for a scalable architecture, and furthermore, opens the door to integration into a larger quantum network through coupling to an optical interface. There are a few important engineering challenges associated with this device. First, there have been no

Quantum oscillations in a biaxial pair density wave state.

PubMed

Norman, M R; Davis, J C Séamus

2018-05-22

There has been growing speculation that a pair density wave state is a key component of the phenomenology of the pseudogap phase in the cuprates. Recently, direct evidence for such a state has emerged from an analysis of scanning tunneling microscopy data in halos around the vortex cores. By extrapolation, these vortex halos would then overlap at a magnetic-field scale where quantum oscillations have been observed. Here, we show that a biaxial pair density wave state gives a unique description of the quantum oscillation data, bolstering the case that the pseudogap phase in the cuprates may be a pair density wave state. Copyright © 2018 the Author(s). Published by PNAS.

Control of entanglement dynamics in a system of three coupled quantum oscillators.

PubMed

Gonzalez-Henao, J C; Pugliese, E; Euzzor, S; Meucci, R; Roversi, J A; Arecchi, F T

2017-08-30

Dynamical control of entanglement and its connection with the classical concept of instability is an intriguing matter which deserves accurate investigation for its important role in information processing, cryptography and quantum computing. Here we consider a tripartite quantum system made of three coupled quantum parametric oscillators in equilibrium with a common heat bath. The introduced parametrization consists of a pulse train with adjustable amplitude and duty cycle representing a more general case for the perturbation. From the experimental observation of the instability in the classical system we are able to predict the parameter values for which the entangled states exist. A different amount of entanglement and different onset times emerge when comparing two and three quantum oscillators. The system and the parametrization considered here open new perspectives for manipulating quantum features at high temperatures.

Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity.

PubMed

Hernández-Rojas, Javier; Calvo, Florent; Noya, Eva Gonzalez

2015-03-10

The semiclassical method of quantum thermal baths by colored noise thermostats has been used to simulate various atomic systems in the molecular and bulk limits, at finite temperature and in moderately to strongly anharmonic regimes. In all cases, the method performs relatively well against alternative approaches in predicting correct energetic properties, including in the presence of phase changes, provided that vibrational delocalization is not too strong-neon appearing already as an upper limiting case. In contrast, the dynamical behavior inferred from global indicators such as the root-mean-square bond length fluctuation index or the vibrational spectrum reveals more marked differences caused by zero-point energy leakage, except in the case of isolated molecules with well separated vibrational modes. To correct for such deficiencies and reduce the undesired transfer among modes, empirical modifications of the noise power spectral density were attempted to better describe thermal equilibrium but still failed when used as semiclassical preparation for microcanonical trajectories.

Quantized discrete space oscillators

NASA Technical Reports Server (NTRS)

Uzes, C. A.; Kapuscik, Edward

1993-01-01

A quasi-canonical sequence of finite dimensional quantizations was found which has canonical quantization as its limit. In order to demonstrate its practical utility and its numerical convergence, this formalism is applied to the eigenvalue and 'eigenfunction' problem of several harmonic and anharmonic oscillators.

Observation of quantum oscillation of work function in ultrathin-metal/semiconductor junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takhar, Kuldeep; Meer, Mudassar; Khachariya, Dolar

2015-09-15

Quantization in energy level due to confinement is generally observed for semiconductors. This property is used for various quantum devices, and it helps to improve the characteristics of conventional devices. Here, the authors have demonstrated the quantum size effects in ultrathin metal (Ni) layers sandwiched between two large band-gap materials. The metal work function is found to oscillate as a function of its thickness. The thermionic emission current bears the signature of the oscillating work function, which has a linear relationship with barrier heights. This methodology allows direct observation of quantum oscillations in metals at room temperature using a Schottkymore » diode and electrical measurements using source-measure-units. The observed phenomena can provide additional mechanism to tune the barrier height of metal/semiconductor junctions, which are used for various electronic devices.« less

Excitation on the Coherent States of Pseudoharmonic Oscillator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popov, Dusan; Pop, Nicolina; Sajfert, Vjekoslav

In the last decades, much attention has been paid to the excitation on coherent states, especially for coherent states of the harmonic oscillator ([1] and references therein). But an interesting anharmonic oscillator with many potential applications is also the pseudoharmonic oscillator (PHO). So, in the present paper we have defined the excitation on the Klauder-Perelomov coherent states (E-KP-CSs) for the PHO. These states are obtained by repeatedly operating the raising operator K{sub +} on a usual Klauder-Perelomov coherent state (KP-CS) of the PHO [2]. We have verified that really, the E-KP-CSs fulfill all the properties of the coherent states, asmore » stated by Klauder [3]. We have examined the nonclassical properties of the E-KP-CSs, by using the density matrix formalism and examining the dependence of the Mandel parameter Q{sub z,k;m}(|z|{sup 2}) on the |z|{sup 2} and on the m. It seems that these states can be used in optical communication field and in the physics of quantum information, as signal beams, due to the fact that in these fields the nonclassicality plays an important role.« less

Quantum oscillations of nitrogen atoms in uranium nitride

NASA Astrophysics Data System (ADS)

Aczel, A. A.; Granroth, G. E.; MacDougall, G. J.; Buyers, W. J. L.; Abernathy, D. L.; Samolyuk, G. D.; Stocks, G. M.; Nagler, S. E.

2012-10-01

The vibrational excitations of crystalline solids corresponding to acoustic or optic one-phonon modes appear as sharp features in measurements such as neutron spectroscopy. In contrast, many-phonon excitations generally produce a complicated, weak and featureless response. Here we present time-of-flight neutron scattering measurements for the binary solid uranium nitride, showing well-defined, equally spaced, high-energy vibrational modes in addition to the usual phonons. The spectrum is that of a single atom, isotropic quantum harmonic oscillator and characterizes independent motions of light nitrogen atoms, each found in an octahedral cage of heavy uranium atoms. This is an unexpected and beautiful experimental realization of one of the fundamental, exactly solvable problems in quantum mechanics. There are also practical implications, as the oscillator modes must be accounted for in the design of generation IV nuclear reactors that plan to use uranium nitride as a fuel.

Quantum oscillations of nitrogen atoms in uranium nitride.

PubMed

Aczel, A A; Granroth, G E; Macdougall, G J; Buyers, W J L; Abernathy, D L; Samolyuk, G D; Stocks, G M; Nagler, S E

2012-01-01

The vibrational excitations of crystalline solids corresponding to acoustic or optic one-phonon modes appear as sharp features in measurements such as neutron spectroscopy. In contrast, many-phonon excitations generally produce a complicated, weak and featureless response. Here we present time-of-flight neutron scattering measurements for the binary solid uranium nitride, showing well-defined, equally spaced, high-energy vibrational modes in addition to the usual phonons. The spectrum is that of a single atom, isotropic quantum harmonic oscillator and characterizes independent motions of light nitrogen atoms, each found in an octahedral cage of heavy uranium atoms. This is an unexpected and beautiful experimental realization of one of the fundamental, exactly solvable problems in quantum mechanics. There are also practical implications, as the oscillator modes must be accounted for in the design of generation IV nuclear reactors that plan to use uranium nitride as a fuel.

Quantum synchronization of a driven self-sustained oscillator.

PubMed

Walter, Stefan; Nunnenkamp, Andreas; Bruder, Christoph

2014-03-07

Synchronization is a universal phenomenon that is important both in fundamental studies and in technical applications. Here we investigate synchronization in the simplest quantum-mechanical scenario possible, i.e., a quantum-mechanical self-sustained oscillator coupled to an external harmonic drive. Using the power spectrum we analyze synchronization in terms of frequency entrainment and frequency locking in close analogy to the classical case. We show that there is a steplike crossover to a synchronized state as a function of the driving strength. In contrast to the classical case, there is a finite threshold value in driving. Quantum noise reduces the synchronized region and leads to a deviation from strict frequency locking.

ANCA: Anharmonic Conformational Analysis of Biomolecular Simulations.

PubMed

Parvatikar, Akash; Vacaliuc, Gabriel S; Ramanathan, Arvind; Chennubhotla, S Chakra

2018-05-08

Anharmonicity in time-dependent conformational fluctuations is noted to be a key feature of functional dynamics of biomolecules. Although anharmonic events are rare, long-timescale (μs-ms and beyond) simulations facilitate probing of such events. We have previously developed quasi-anharmonic analysis to resolve higher-order spatial correlations and characterize anharmonicity in biomolecular simulations. In this article, we have extended this toolbox to resolve higher-order temporal correlations and built a scalable Python package called anharmonic conformational analysis (ANCA). ANCA has modules to: 1) measure anharmonicity in the form of higher-order statistics and its variation as a function of time, 2) output a storyboard representation of the simulations to identify key anharmonic conformational events, and 3) identify putative anharmonic conformational substates and visualization of transitions between these substates. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Double-Paddle Oscillators as Probes of Quantum Turbulence in the Zero Temperature Limit

NASA Astrophysics Data System (ADS)

Schmoranzer, David; Jackson, Martin; Zemma, Elisa; Luzuriaga, Javier

2017-06-01

We present a technical report on our tests of a double-paddle oscillator as a detector of quantum turbulence in superfluid 4He at low temperatures ranging from 20 to 1100 mK. The device, known to operate well in the two-fluid regime (Zemma and Luzuriaga in J Low Temp Phys 166:171-181, 2012), is also capable of detecting quantum turbulence in the zero temperature limit. The oscillator demonstrated Lorentzian responses with quality factors of order 10^5 in vacuum, and displayed negative-Duffing resonances in liquid, even at moderate drives. In superfluid He-II at low temperatures, its sensitivity was adversely affected by acoustic damping at higher harmonics. While it successfully created and detected the quantum turbulence, its overall performance does not compare favourably with other oscillators such as tuning forks.

Numerical methods for studying anharmonic oscillator approximations to the phi super 4 sub 2 quantum field theory

NASA Technical Reports Server (NTRS)

Isaacson, D.; Marchesin, D.; Paes-Leme, P. J.

1980-01-01

This paper is an expanded version of a talk given at the 1979 T.I.C.O.M. conference. It is a self-contained introduction, for applied mathematicians and numerical analysts, to quantum mechanics and quantum field theory. It also contains a brief description of the authors' numerical approach to the problems of quantum field theory, which may best be summarized by the question; Can we compute the eigenvalues and eigenfunctions of Schrodinger operators in infinitely many variables.

Coupled harmonic oscillators and their quantum entanglement.

PubMed

Makarov, Dmitry N

2018-04-01

A system of two coupled quantum harmonic oscillators with the Hamiltonian H[over ̂]=1/2(1/m_{1}p[over ̂]_{1}^{2}+1/m_{2}p[over ̂]_{2}^{2}+Ax_{1}^{2}+Bx_{2}^{2}+Cx_{1}x_{2}) can be found in many applications of quantum and nonlinear physics, molecular chemistry, and biophysics. The stationary wave function of such a system is known, but its use for the analysis of quantum entanglement is complicated because of the complexity of computing the Schmidt modes. Moreover, there is no exact analytical solution to the nonstationary Schrodinger equation H[over ̂]Ψ=iℏ∂Ψ/∂t and Schmidt modes for such a dynamic system. In this paper we find a solution to the nonstationary Schrodinger equation; we also find in an analytical form a solution to the Schmidt mode for both stationary and dynamic problems. On the basis of the Schmidt modes, the quantum entanglement of the system under consideration is analyzed. It is shown that for certain parameters of the system, quantum entanglement can be very large.

Coupled harmonic oscillators and their quantum entanglement

NASA Astrophysics Data System (ADS)

Makarov, Dmitry N.

2018-04-01

A system of two coupled quantum harmonic oscillators with the Hamiltonian H ̂=1/2 (1/m1p̂1 2+1/m2p̂2 2+A x12+B x22+C x1x2) can be found in many applications of quantum and nonlinear physics, molecular chemistry, and biophysics. The stationary wave function of such a system is known, but its use for the analysis of quantum entanglement is complicated because of the complexity of computing the Schmidt modes. Moreover, there is no exact analytical solution to the nonstationary Schrodinger equation H ̂Ψ =i ℏ ∂/Ψ ∂ t and Schmidt modes for such a dynamic system. In this paper we find a solution to the nonstationary Schrodinger equation; we also find in an analytical form a solution to the Schmidt mode for both stationary and dynamic problems. On the basis of the Schmidt modes, the quantum entanglement of the system under consideration is analyzed. It is shown that for certain parameters of the system, quantum entanglement can be very large.

Optical Rabi Oscillations in a Quantum Dot Ensemble

NASA Astrophysics Data System (ADS)

Kujiraoka, Mamiko; Ishi-Hayase, Junko; Akahane, Kouichi; Yamamoto, Naokatsu; Ema, Kazuhiro; Sasaki, Masahide

2010-09-01

We have investigated Rabi oscillations of exciton polarization in a self-assembled InAs quantum dot ensemble. The four-wave mixing signals measured as a function of the average of the pulse area showed the large in-plane anisotropy and nonharmonic oscillations. The experimental results can be well reproduced by a two-level model calculation including three types of inhomogeneities without any fitting parameter. The large anisotropy can be well explained by the anisotropic dipole moments. We also find that the nonharmonic behaviors partly originate from the polarization interference.

Coherent Oscillations inside a Quantum Manifold Stabilized by Dissipation

NASA Astrophysics Data System (ADS)

Touzard, S.; Grimm, A.; Leghtas, Z.; Mundhada, S. O.; Reinhold, P.; Axline, C.; Reagor, M.; Chou, K.; Blumoff, J.; Sliwa, K. M.; Shankar, S.; Frunzio, L.; Schoelkopf, R. J.; Mirrahimi, M.; Devoret, M. H.

2018-04-01

Manipulating the state of a logical quantum bit (qubit) usually comes at the expense of exposing it to decoherence. Fault-tolerant quantum computing tackles this problem by manipulating quantum information within a stable manifold of a larger Hilbert space, whose symmetries restrict the number of independent errors. The remaining errors do not affect the quantum computation and are correctable after the fact. Here we implement the autonomous stabilization of an encoding manifold spanned by Schrödinger cat states in a superconducting cavity. We show Zeno-driven coherent oscillations between these states analogous to the Rabi rotation of a qubit protected against phase flips. Such gates are compatible with quantum error correction and hence are crucial for fault-tolerant logical qubits.

Quantum oscillations from the reconstructed Fermi surface in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Higgins, J. S.; Chan, M. K.; Sarkar, Tarapada; McDonald, R. D.; Greene, R. L.; Butch, N. P.

2018-04-01

We have studied the electronic structure of electron-doped cuprate superconductors via measurements of high-field Shubnikov–de Haas oscillations in thin films. In optimally doped Pr2‑x Ce x CuO4±δ and La2‑x Ce x CuO4±δ , quantum oscillations indicate the presence of a small Fermi surface, demonstrating that electronic reconstruction is a general feature of the electron-doped cuprates, despite the location of the superconducting dome at very different doping levels. Negative high-field magnetoresistance is correlated with an anomalous low-temperature change in scattering that modifies the amplitude of quantum oscillations. This behavior is consistent with effects attributed to spin fluctuations.

High-temperature quantum oscillations caused by recurring Bloch states in graphene superlattices

NASA Astrophysics Data System (ADS)

Krishna Kumar, R.; Chen, X.; Auton, G. H.; Mishchenko, A.; Bandurin, D. A.; Morozov, S. V.; Cao, Y.; Khestanova, E.; Ben Shalom, M.; Kretinin, A. V.; Novoselov, K. S.; Eaves, L.; Grigorieva, I. V.; Ponomarenko, L. A.; Fal'ko, V. I.; Geim, A. K.

2017-07-01

Cyclotron motion of charge carriers in metals and semiconductors leads to Landau quantization and magneto-oscillatory behavior in their properties. Cryogenic temperatures are usually required to observe these oscillations. We show that graphene superlattices support a different type of quantum oscillation that does not rely on Landau quantization. The oscillations are extremely robust and persist well above room temperature in magnetic fields of only a few tesla. We attribute this phenomenon to repetitive changes in the electronic structure of superlattices such that charge carriers experience effectively no magnetic field at simple fractions of the flux quantum per superlattice unit cell. Our work hints at unexplored physics in Hofstadter butterfly systems at high temperatures.

Remote quantum entanglement between two micromechanical oscillators.

PubMed

Riedinger, Ralf; Wallucks, Andreas; Marinković, Igor; Löschnauer, Clemens; Aspelmeyer, Markus; Hong, Sungkun; Gröblacher, Simon

2018-04-01

Entanglement, an essential feature of quantum theory that allows for inseparable quantum correlations to be shared between distant parties, is a crucial resource for quantum networks 1 . Of particular importance is the ability to distribute entanglement between remote objects that can also serve as quantum memories. This has been previously realized using systems such as warm 2,3 and cold atomic vapours 4,5 , individual atoms 6 and ions 7,8 , and defects in solid-state systems 9-11 . Practical communication applications require a combination of several advantageous features, such as a particular operating wavelength, high bandwidth and long memory lifetimes. Here we introduce a purely micromachined solid-state platform in the form of chip-based optomechanical resonators made of nanostructured silicon beams. We create and demonstrate entanglement between two micromechanical oscillators across two chips that are separated by 20 centimetres . The entangled quantum state is distributed by an optical field at a designed wavelength near 1,550 nanometres. Therefore, our system can be directly incorporated in a realistic fibre-optic quantum network operating in the conventional optical telecommunication band. Our results are an important step towards the development of large-area quantum networks based on silicon photonics.

Quantum field-theoretical description of neutrino and neutral kaon oscillations

NASA Astrophysics Data System (ADS)

Volobuev, Igor P.

2018-05-01

It is shown that the neutrino and neutral kaon oscillation processes can be consistently described in quantum field theory using only plane waves of the mass eigenstates of neutrinos and neutral kaons. To this end, the standard perturbative S-matrix formalism is modified so that it can be used for calculating the amplitudes of the processes passing at finite distances and finite time intervals. The distance-dependent and time-dependent parts of the amplitudes of the neutrino and neutral kaon oscillation processes are calculated and the results turn out to be in accordance with those of the standard quantum mechanical description of these processes based on the notion of neutrino flavor states and neutral kaon states with definite strangeness. However, the physical picture of the phenomena changes radically: now, there are no oscillations of flavor or definite strangeness states, but, instead of it, there is interference of amplitudes due to different virtual mass eigenstates.

Determination of anisotropic dipole moments in self-assembled quantum dots using Rabi oscillations

NASA Astrophysics Data System (ADS)

Muller, Andreas; Wang, Qu-Quan; Bianucci, Pablo; Xue, Qi-Kun; Shih, Chih-Kang

2004-03-01

By investigating the polarization-dependent Rabi oscillations using photoluminescence spectroscopy, we determined the respective transition dipole moments of the two excited excitonic states |Ex> and |Ey> of a single self-assembled quantum dot that are nondegenerate due to shape anisotropy. We find that the ratio of the two dipole moments is close to the physical elongation ratio of the quantum dot. We also measured the ground state radiative lifetimes of several quantum dots. The dipole moments calculated from the latter are in reasonable agreement with the dipole moments determined from the periodicity of the Rabi oscillations.

Slightly anharmonic systems in quantum optics

NASA Technical Reports Server (NTRS)

Klimov, Andrey B.; Chumakov, Sergey M.

1995-01-01

We consider an arbitrary atomic system (n-level atom or many such atoms) interacting with a strong resonant quantum field. The approximate evolution operator for a quantum field case can be produced from the atomic evolution operator in an external classical field by a 'quantization prescription', passing the operator arguments to Wigner D-functions. Many important phenomena arising from the quantum nature of the field can be described by such a way.

State-conditional coherent charge qubit oscillations in a Si/SiGe quadruple quantum dot

NASA Astrophysics Data System (ADS)

Ward, Daniel R.; Kim, Dohun; Savage, Donald E.; Lagally, Max G.; Foote, Ryan H.; Friesen, Mark; Coppersmith, Susan N.; Eriksson, Mark A.

2016-10-01

Universal quantum computation requires high-fidelity single-qubit rotations and controlled two-qubit gates. Along with high-fidelity single-qubit gates, strong efforts have been made in developing robust two-qubit logic gates in electrically gated quantum dot systems to realise a compact and nanofabrication-compatible architecture. Here we perform measurements of state-conditional coherent oscillations of a charge qubit. Using a quadruple quantum dot formed in a Si/SiGe heterostructure, we show the first demonstration of coherent two-axis control of a double quantum dot charge qubit in undoped Si/SiGe, performing Larmor and Ramsey oscillation measurements. We extract the strength of the capacitive coupling between a pair of double quantum dots by measuring the detuning energy shift (≈75 μeV) of one double dot depending on the excess charge configuration of the other double dot. We further demonstrate that the strong capacitive coupling allows fast, state-conditional Landau-Zener-Stückelberg oscillations with a conditional π phase flip time of about 80 ps, showing a promising pathway towards multi-qubit entanglement and control in semiconductor quantum dots.

State-conditional coherent charge qubit oscillations in a Si/SiGe quadruple quantum dot

DOE PAGES

Ward, Daniel R.; Kim, Dohun; Savage, Donald E.; ...

2016-10-18

Universal quantum computation requires high-fidelity single-qubit rotations and controlled two-qubit gates. Along with high-fidelity single-qubit gates, strong efforts have been made in developing robust two-qubit logic gates in electrically gated quantum dot systems to realise a compact and nanofabrication-compatible architecture. Here we perform measurements of state-conditional coherent oscillations of a charge qubit. Using a quadruple quantum dot formed in a Si/SiGe heterostructure, we show the first demonstration of coherent two-axis control of a double quantum dot charge qubit in undoped Si/SiGe, performing Larmor and Ramsey oscillation measurements. We extract the strength of the capacitive coupling between a pair of doublemore » quantum dots by measuring the detuning energy shift (≈75 μeV) of one double dot depending on the excess charge configuration of the other double dot. Finally, we further demonstrate that the strong capacitive coupling allows fast, state-conditional Landau–Zener–Stückelberg oscillations with a conditional π phase flip time of about 80 ps, showing a promising pathway towards multi-qubit entanglement and control in semiconductor quantum dots.« less

State-conditional coherent charge qubit oscillations in a Si/SiGe quadruple quantum dot

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, Daniel R.; Kim, Dohun; Savage, Donald E.

Universal quantum computation requires high-fidelity single-qubit rotations and controlled two-qubit gates. Along with high-fidelity single-qubit gates, strong efforts have been made in developing robust two-qubit logic gates in electrically gated quantum dot systems to realise a compact and nanofabrication-compatible architecture. Here we perform measurements of state-conditional coherent oscillations of a charge qubit. Using a quadruple quantum dot formed in a Si/SiGe heterostructure, we show the first demonstration of coherent two-axis control of a double quantum dot charge qubit in undoped Si/SiGe, performing Larmor and Ramsey oscillation measurements. We extract the strength of the capacitive coupling between a pair of doublemore » quantum dots by measuring the detuning energy shift (≈75 μeV) of one double dot depending on the excess charge configuration of the other double dot. Finally, we further demonstrate that the strong capacitive coupling allows fast, state-conditional Landau–Zener–Stückelberg oscillations with a conditional π phase flip time of about 80 ps, showing a promising pathway towards multi-qubit entanglement and control in semiconductor quantum dots.« less

Quantum instanton calculation of rate constant for CH4 + OH → CH3 + H2O reaction: Torsional anharmonicity and kinetic isotope effect

NASA Astrophysics Data System (ADS)

Wang, Wenji; Zhao, Yi

2012-12-01

Thermal rate constants for the title reaction are calculated by using the quantum instanton approximation within the full dimensional Cartesian coordinates. The results reveal that the quantum effect is remarkable for the reaction at both low and high temperatures, and the obtained rates are in good agreement with experimental measurements at high temperatures. Compared to the harmonic approximation, the torsional anharmonic effect of the internal rotation has a little influence on the rates at low temperatures, however, it enhances the rate by about 20% at 1000 K. In addition, the free energy barriers for the isotopic reactions and the temperature dependence of kinetic isotope effects are also investigated. Generally speaking, for the title reaction, the replacement of OH with OD will reduce the free energy barrier, while substituting D for H (connected to C) will increase the free energy barrier.

Time-dependent quantum oscillator as attenuator and amplifier: noise and statistical evolutions

NASA Astrophysics Data System (ADS)

Portes, D.; Rodrigues, H.; Duarte, S. B.; Baseia, B.

2004-10-01

We revisit the quantum oscillator, modelled as a time-dependent LC-circuit. Nonclassical properties concerned with attenuation and amplification regions are considered, as well as time evolution of quantum noise and statistics, with emphasis on revivals of the statistical distribution.

Wentzel-Kramers-Brillouin method in the Bargmann representation. [of quantum mechanics

NASA Technical Reports Server (NTRS)

Voros, A.

1989-01-01

It is demonstrated that the Bargmann representation of quantum mechanics is ideally suited for semiclassical analysis, using as an example the WKB method applied to the bound-state problem in a single well of one degree of freedom. For the harmonic oscillator, this WKB method trivially gives the exact eigenfunctions in addition to the exact eigenvalues. For an anharmonic well, a self-consistent variational choice of the representation greatly improves the accuracy of the semiclassical ground state. Also, a simple change of scale illuminates the relationship of semiclassical versus linear perturbative expansions, allowing a variety of multidimensional extensions.

Quantum oscillations in vortex-liquids

NASA Astrophysics Data System (ADS)

Banerjee, Sumilan; Zhang, Shizhong; Randeria, Mohit

2012-02-01

Motivated by observations of quantum oscillations in underdoped cuprates [1], we examine the electronic density of states (DOS) in a vortex-liquid state, where long-range phase coherence is destroyed by an external magnetic field H but the local pairing amplitude survives. We note that this regime is distinct from that studied in most of the recent theories, which have focused on either a Fermi liquid with a competing order parameter or on a d-wave vortex lattice. The cuprate experiments are very likely in a resistive vortex-liquid state. We generalize the s-wave analysis of Maki and Stephen [2] to d-wave pairing and examine various regimes of the chemical potential, gap and field. We find that the (1/H) oscillations of the DOS at the chemical potential in a d-wave vortex-liquid are much more robust, i.e., have a reduced damping, compared to the s-wave case. We critically investigate the conventional wisdom relating the observed frequency to the area of an underlying Fermi surface. We also show that the oscillations in the DOS cross over to a √H behavior in the low field limit, in agreement with the recent specific heat measurements. [1] L. Taillefer, J. Phys. Cond. Mat. 21, 164212 (2009). [2] M. J. Stephen, Phys. Rev. B 45, 5481 (1992).

Multidimensional supersymmetric quantum mechanics: spurious states for the tensor sector two Hamiltonian.

PubMed

Chou, Chia-Chun; Kouri, Donald J

2013-04-25

We show that there exist spurious states for the sector two tensor Hamiltonian in multidimensional supersymmetric quantum mechanics. For one-dimensional supersymmetric quantum mechanics on an infinite domain, the sector one and two Hamiltonians have identical spectra with the exception of the ground state of the sector one. For tensorial multidimensional supersymmetric quantum mechanics, there exist normalizable spurious states for the sector two Hamiltonian with energy equal to the ground state energy of the sector one. These spurious states are annihilated by the adjoint charge operator, and hence, they do not correspond to physical states for the original Hamiltonian. The Hermitian property of the sector two Hamiltonian implies the orthogonality between spurious and physical states. In addition, we develop a method for construction of a specific form of the spurious states for any quantum system and also generate several spurious states for a two-dimensional anharmonic oscillator system and for the hydrogen atom.

Anharmonic resonance absorption of short laser pulses in clusters: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Mahalik, S. S.; Kundu, M.

2016-12-01

Linear resonance (LR) absorption of an intense 800 nm laser light in a nano-cluster requires a long laser pulse >100 fs when Mie-plasma frequency ( ω M ) of electrons in the expanding cluster matches the laser frequency (ω). For a short duration of the pulse, the condition for LR is not satisfied. In this case, it was shown by a model and particle-in-cell (PIC) simulations [Phys. Rev. Lett. 96, 123401 (2006)] that electrons absorb laser energy by anharmonic resonance (AHR) when the position-dependent frequency Ω [ r ( t ) ] of an electron in the self-consistent anharmonic potential of the cluster satisfies Ω [ r ( t ) ] = ω . However, AHR remains to be a debate and still obscure in multi-particle plasma simulations. Here, we identify AHR mechanism in a laser driven cluster using molecular dynamics (MD) simulations. By analyzing the trajectory of each MD electron and extracting its Ω [ r ( t ) ] in the self-generated anharmonic plasma potential, it is found that electron is outer ionized only when AHR is met. An anharmonic oscillator model, introduced here, brings out most of the features of MD electrons while passing the AHR. Thus, we not only bridge the gap between PIC simulations, analytical models, and MD calculations for the first time but also unequivocally prove that AHR process is a universal dominant collisionless mechanism of absorption in the short pulse regime or in the early time of longer pulses in clusters.

Complex delay dynamics of high power quantum cascade oscillators

NASA Astrophysics Data System (ADS)

Grillot, F.; Newell, T. C.; Gavrielides, A.; Carras, M.

2017-08-01

Quantum cascade lasers (QCL) have become the most suitable laser sources from the mid-infrared to the THz range. This work examines the effects of external feedback in different high power mid infrared QCL structures and shows that different conditions of the feedback wave can produce complex dynamics hence stabilization, destabilization into strong mode-competition or undamping nonlinear oscillations. As a dynamical system, reinjection of light back into the cavity also can also provoke apparition of chaotic oscillations, which must be avoided for a stable operation both at mid-infrared and THz wavelengths.

Quantum damped oscillator II: Bateman’s Hamiltonian vs. 2D parabolic potential barrier

NASA Astrophysics Data System (ADS)

Chruściński, Dariusz

2006-04-01

We show that quantum Bateman’s system which arises in the quantization of a damped harmonic oscillator is equivalent to a quantum problem with 2D parabolic potential barrier known also as 2D inverted isotropic oscillator. It turns out that this system displays the family of complex eigenvalues corresponding to the poles of analytical continuation of the resolvent operator to the complex energy plane. It is shown that this representation is more suitable than the hyperbolic one used recently by Blasone and Jizba.

Systematic study of anharmonic features in a principal component analysis of gramicidin A.

PubMed

Kurylowicz, Martin; Yu, Ching-Hsing; Pomès, Régis

2010-02-03

We use principal component analysis (PCA) to detect functionally interesting collective motions in molecular-dynamics simulations of membrane-bound gramicidin A. We examine the statistical and structural properties of all PCA eigenvectors and eigenvalues for the backbone and side-chain atoms. All eigenvalue spectra show two distinct power-law scaling regimes, quantitatively separating large from small covariance motions. Time trajectories of the largest PCs converge to Gaussian distributions at long timescales, but groups of small-covariance PCs, which are usually ignored as noise, have subdiffusive distributions. These non-Gaussian distributions imply anharmonic motions on the free-energy surface. We characterize the anharmonic components of motion by analyzing the mean-square displacement for all PCs. The subdiffusive components reveal picosecond-scale oscillations in the mean-square displacement at frequencies consistent with infrared measurements. In this regime, the slowest backbone mode exhibits tilting of the peptide planes, which allows carbonyl oxygen atoms to provide surrogate solvation for water and cation transport in the channel lumen. Higher-frequency modes are also apparent, and we describe their vibrational spectra. Our findings expand the utility of PCA for quantifying the essential features of motion on the anharmonic free-energy surface made accessible by atomistic molecular-dynamics simulations. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Quantum feedback cooling of a mechanical oscillator using variational measurements: tweaking Heisenberg’s microscope

NASA Astrophysics Data System (ADS)

Habibi, Hojat; Zeuthen, Emil; Ghanaatshoar, Majid; Hammerer, Klemens

2016-08-01

We revisit the problem of preparing a mechanical oscillator in the vicinity of its quantum-mechanical ground state by means of feedback cooling based on continuous optical detection of the oscillator position. In the parameter regime relevant to ground-state cooling, the optical back-action and imprecision noise set the bottleneck of achievable cooling and must be carefully balanced. This can be achieved by adapting the phase of the local oscillator in the homodyne detection realizing a so-called variational measurement. The trade-off between accurate position measurement and minimal disturbance can be understood in terms of Heisenberg’s microscope and becomes particularly relevant when the measurement and feedback processes happen to be fast within the quantum coherence time of the system to be cooled. This corresponds to the regime of large quantum cooperativity {C}{{q}}≳ 1, which was achieved in recent experiments on feedback cooling. Our method provides a simple path to further pushing the limits of current state-of-the-art experiments in quantum optomechanics.

Quantum entanglement of a harmonic oscillator with an electromagnetic field.

PubMed

Makarov, Dmitry N

2018-05-29

At present, there are many methods for obtaining quantum entanglement of particles with an electromagnetic field. Most methods have a low probability of quantum entanglement and not an exact theoretical apparatus based on an approximate solution of the Schrodinger equation. There is a need for new methods for obtaining quantum-entangled particles and mathematically accurate studies of such methods. In this paper, a quantum harmonic oscillator (for example, an electron in a magnetic field) interacting with a quantized electromagnetic field is considered. Based on the exact solution of the Schrodinger equation for this system, it is shown that for certain parameters there can be a large quantum entanglement between the electron and the electromagnetic field. Quantum entanglement is analyzed on the basis of a mathematically exact expression for the Schmidt modes and the Von Neumann entropy.

The Quantum Arnold Transformation for the damped harmonic oscillator: from the Caldirola-Kanai model toward the Bateman model

NASA Astrophysics Data System (ADS)

López-Ruiz, F. F.; Guerrero, J.; Aldaya, V.; Cossío, F.

2012-08-01

Using a quantum version of the Arnold transformation of classical mechanics, all quantum dynamical systems whose classical equations of motion are non-homogeneous linear second-order ordinary differential equations (LSODE), including systems with friction linear in velocity such as the damped harmonic oscillator, can be related to the quantum free-particle dynamical system. This implies that symmetries and simple computations in the free particle can be exported to the LSODE-system. The quantum Arnold transformation is given explicitly for the damped harmonic oscillator, and an algebraic connection between the Caldirola-Kanai model for the damped harmonic oscillator and the Bateman system will be sketched out.

Realization of the three-qubit quantum controlled gate based on matching Hermitian generators

NASA Astrophysics Data System (ADS)

Gautam, Kumar; Rawat, Tarun Kumar; Parthasarathy, Harish; Sharma, Navneet; Upadhyaya, Varun

2017-05-01

This paper deals with the design of quantum unitary gate by matching the Hermitian generators. A given complicated quantum controlled gate is approximated by perturbing a simple quantum system with a small time-varying potential. The basic idea is to evaluate the generator H_φ of the perturbed system approximately using first-order perturbation theory in the interaction picture. H_φ depends on a modulating signal φ(t){:} 0≤t≤T which modulates a known potential V. The generator H_φ of the given gate U_g is evaluated using H_g=ι log U_g. The optimal modulating signal φ(t) is chosen so that \\Vert H_g - H_φ \\Vert is a minimum. The simple quantum system chosen for our simulation is harmonic oscillator with charge perturbed by an electric field that is a constant in space but time varying and is controlled externally. This is used to approximate the controlled unitary gate obtained by perturbing the oscillator with an anharmonic term proportional to q^3. Simulations results show significantly small noise-to-signal ratio. Finally, we discuss how the proposed method is particularly suitable for designing some commonly used unitary gates. Another example was chosen to illustrate this method of gate design is the ion-trap model.

Quantum oscillations in insulators with neutral Fermi surfaces

NASA Astrophysics Data System (ADS)

Sodemann, Inti; Chowdhury, Debanjan; Senthil, T.

2018-02-01

We develop a theory of quantum oscillations in insulators with an emergent Fermi sea of neutral fermions minimally coupled to an emergent U(1 ) gauge field. As pointed out by Motrunich [Phys. Rev. B 73, 155115 (2006), 10.1103/PhysRevB.73.155115], in the presence of a physical magnetic field the emergent magnetic field develops a nonzero value leading to Landau quantization for the neutral fermions. We focus on the magnetic field and temperature dependence of the analog of the de Haas-van Alphen effect in two and three dimensions. At temperatures above the effective cyclotron energy, the magnetization oscillations behave similarly to those of an ordinary metal, albeit in a field of a strength that differs from the physical magnetic field. At low temperatures, the oscillations evolve into a series of phase transitions. We provide analytical expressions for the amplitude and period of the oscillations in both of these regimes and simple extrapolations that capture well their crossover. We also describe oscillations in the electrical resistivity of these systems that are expected to be superimposed with the activated temperature behavior characteristic of their insulating nature and discuss suitable experimental conditions for the observation of these effects in mixed-valence insulators and triangular lattice organic materials.

High-speed continuous-variable quantum key distribution without sending a local oscillator.

PubMed

Huang, Duan; Huang, Peng; Lin, Dakai; Wang, Chao; Zeng, Guihua

2015-08-15

We report a 100-MHz continuous-variable quantum key distribution (CV-QKD) experiment over a 25-km fiber channel without sending a local oscillator (LO). We use a "locally" generated LO and implement with a 1-GHz shot-noise-limited homodyne detector to achieve high-speed quantum measurement, and we propose a secure phase compensation scheme to maintain a low level of excess noise. These make high-bit-rate CV-QKD significantly simpler for larger transmission distances compared with previous schemes in which both LO and quantum signals are transmitted through the insecure quantum channel.

Self-Oscillating Josephson Quantum Heat Engine

NASA Astrophysics Data System (ADS)

Marchegiani, G.; Virtanen, P.; Giazotto, F.; Campisi, M.

2016-11-01

The design of a mesoscopic self-oscillating heat engine that works thanks to purely quantum effects is presented. The proposed scheme is amenable to experimental implementation with current state-of-the-art nanotechnology and materials. One of the main features of the structure is its versatility: The engine can deliver work to a generic load without galvanic contact. This versatility makes it a promising building block for low-temperature on-chip energy-management applications. The heat engine consists of a circuit featuring a thermoelectric element based on a ferromagnetic insulator-superconductor tunnel junction and a Josephson weak link that realizes a purely quantum dc-ac converter. This makeup enables the contactless transfer of work to the load (a generic RL circuit). The performance of the heat engine is investigated as a function of the thermal gradient applied to the thermoelectric junction. Power up to 1 pW can be delivered to a load RL=10 Ω .

Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy.

PubMed

Slenkamp, Karla M; Lynch, Michael S; Van Kuiken, Benjamin E; Brookes, Jennifer F; Bannan, Caitlin C; Daifuku, Stephanie L; Khalil, Munira

2014-02-28

Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (νCN) vibrations found in [(NH3)5Ru(III)NCFe(II)(CN)5](-) (FeRu) dissolved in D2O and formamide and [(NC)5Fe(II)CNPt(IV)(NH3)4NCFe(II)(CN)5](4-) (FePtFe) dissolved in D2O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the νCN modes in the electronic ground state. The FTIR spectra of the νCN modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic νCN modes. The vibrational mode anharmonicities of the individual νCN modes range from 14 to 28 cm(-1). The mixed-mode anharmonicities range from 2 to 14 cm(-1). In general, the bridging νCN mode is most weakly coupled to the radial νCN mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four νCN modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D2O. The νCN modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm(-1). This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the νCN modes in cyanide-bridged transition metal mixed valence complexes.

Quantum oscillation evidence for a topological semimetal phase in ZrSnTe

NASA Astrophysics Data System (ADS)

Hu, Jin; Zhu, Yanglin; Gui, Xin; Graf, David; Tang, Zhijie; Xie, Weiwei; Mao, Zhiqiang

2018-04-01

The layered WHM-type (W =Zr /Hf /La , H =Si /Ge /Sn /Sb , M =S /Se /Te ) materials represent a large family of topological semimetals, which provides an excellent platform to study the evolution of topological semimetal state with the fine tuning of spin-orbit coupling and structural dimensionality for various combinations of W , H , and M elements. In this work, through high field de Haas-van Alphen (dHvA) quantum oscillation studies, we have found evidence for the predicted topological nontrivial bands in ZrSnTe. Furthermore, from the angular dependence of quantum oscillation frequency, we have revealed the three-dimensional Fermi surface topologies of this layered material owing to strong interlayer coupling.

Direct detection of time-resolved Rabi oscillations in a single quantum dot via resonance fluorescence

NASA Astrophysics Data System (ADS)

Schaibley, J. R.; Burgers, A. P.; McCracken, G. A.; Steel, D. G.; Bracker, A. S.; Gammon, D.; Sham, L. J.

2013-03-01

Optical Rabi oscillations are coherent population oscillations of a two-level system coupled by an electric dipole transition when driven by a strong nearly resonant optical field. In quantum dot structures, these measurements have typically been performed as a function of the total pulse area ∫Ω0(t)dt where the pulse area varies as a function of Rabi frequency. Here, we report direct detection of the time-resolved coherent transient response of the resonance fluorescence to measure the time evolution of the optical Rabi oscillations in a single charged InAs quantum dot. We extract a decoherence rate consistent with the limit from the excited state lifetime.

Deterministic nonclassicality for quantum-mechanical oscillators in thermal states

NASA Astrophysics Data System (ADS)

Marek, Petr; Lachman, Lukáš; Slodička, Lukáš; Filip, Radim

2016-07-01

Quantum nonclassicality is the basic building stone for the vast majority of quantum information applications and methods of its generation are at the forefront of research. One of the obstacles any method needs to clear is the looming presence of decoherence and noise which act against the nonclassicality and often erase it completely. In this paper we show that nonclassical states of a quantum harmonic oscillator initially in thermal equilibrium states can be deterministically created by coupling it to a single two-level system. This can be achieved even in the absorption regime in which the two-level system is initially in the ground state. The method is resilient to noise and it may actually benefit from it, as witnessed by the systems with higher thermal energy producing more nonclassical states.

Clausius inequality beyond the weak-coupling limit: the quantum Brownian oscillator.

PubMed

Kim, Ilki; Mahler, Günter

2010-01-01

We consider a quantum linear oscillator coupled at an arbitrary strength to a bath at an arbitrary temperature. We find an exact closed expression for the oscillator density operator. This state is noncanonical but can be shown to be equivalent to that of an uncoupled linear oscillator at an effective temperature T*(eff) with an effective mass and an effective spring constant. We derive an effective Clausius inequality deltaQ*(eff)< or =T*(eff)dS , where deltaQ*(eff) is the heat exchanged between the effective (weakly coupled) oscillator and the bath, and S represents a thermal entropy of the effective oscillator, being identical to the von-Neumann entropy of the coupled oscillator. Using this inequality (for a cyclic process in terms of a variation of the coupling strength) we confirm the validity of the second law. For a fixed coupling strength this inequality can also be tested for a process in terms of a variation of either the oscillator mass or its spring constant. Then it is never violated. The properly defined Clausius inequality is thus more robust than assumed previously.

Instantaneous and dynamical decoherence

NASA Astrophysics Data System (ADS)

Polonyi, Janos

2018-04-01

Two manifestations of decoherence, called instantaneous and dynamical, are investigated. The former reflects the suppression of the interference between the components of the current state while the latter reflects that within the initial state. These types of decoherence are computed in the case of the Brownian motion and the harmonic and anharmonic oscillators within the semiclassical approximation. A remarkable phenomenon, namely the opposite orientation of the time arrow of the dynamical variables compared to that of the quantum fluctuations generates a double exponential time dependence of the dynamical decoherence in the presence of a harmonic force. For the weakly anharmonic oscillator the dynamical decoherence is found to depend in a singular way on the amount of the anharmonicity.

Metric for strong intrinsic fourth-order phonon anharmonicity

NASA Astrophysics Data System (ADS)

Yue, Sheng-Ying; Zhang, Xiaoliang; Qin, Guangzhao; Phillpot, Simon R.; Hu, Ming

2017-05-01

Under the framework of Taylor series expansion for potential energy, we propose a simple and robust metric, dubbed "regular residual analysis," to measure the fourth-order phonon anharmonicity in crystals. The method is verified by studying the intrinsic strong higher-order anharmonic effects in UO2 and CeO2. Comparison of the thermal conductivity results, which calculated by the anharmonic lattice dynamics method coupled with the Boltzmann transport equation and the spectral energy density method coupled with ab initio molecular dynamics simulation further validates our analysis. Analysis of the bulk Si and Ge systems confirms that the fourth-order phonon anharmonicity is enhanced and cannot be neglected at high enough temperatures, which agrees with a previous study where the four-phonon scattering was explicitly determined. This metric will facilitate evaluating and interpreting the lattice thermal conductivity of crystals with strong fourth-order phonon anharmonicity.

Quantum oscillations and coherent interlayer transport in a new topological Dirac semimetal candidate YbMnSb2

NASA Astrophysics Data System (ADS)

Wang, Yi-Yan; Xu, Sheng; Sun, Lin-Lin; Xia, Tian-Long

2018-02-01

Dirac semimetals, which host Dirac fermions and represent a new state of quantum matter, have been studied intensively in condensed-matter physics. The exploration of new materials with topological states is important in both physics and materials science. We report the synthesis and the transport properties of high-quality single crystals of YbMnSb2. YbMnSb2 is a new compound with metallic behavior. Quantum oscillations, including Shubnikov-de Haas (SdH) oscillation and de Haas-van Alphen-type oscillation, have been observed at low temperature and high magnetic field. Small effective masses and nontrivial Berry phase are extracted from the analyses of quantum oscillations, which provide the transport evidence for the possible existence of Dirac fermions in YbMnSb2. The measurements of angular-dependent interlayer magnetoresistance indicate that the interlayer transport is coherent. The Fermi surface of YbMnSb2 possesses a quasi-two-dimensional characteristic as determined by the angular dependence of SdH oscillation frequency. These findings suggest that YbMnSb2 is a new candidate of topological Dirac semimetals.

The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine-cytosine base pairs in Watson-Crick and Hoogsteen configurations.

PubMed

Bende, Attila; Muntean, Cristina M

2014-03-01

The theoretical IR and Raman spectra of the guanine-cytosine DNA base pairs in Watson-Crick and Hoogsteen configurations were computed using DFT method with M06-2X meta-hybrid GGA exchange-correlation functional, including the anharmonic corrections and solvent effects. The results for harmonic frequencies and their anharmonic corrections were compared with our previously calculated values obtained with the B3PW91 hybrid GGA functional. Significant differences were obtained for the anharmonic corrections calculated with the two different DFT functionals, especially for the stretching modes, while the corresponding harmonic frequencies did not differ considerable. For the Hoogtseen case the H⁺ vibration between the G-C base pair can be characterized as an asymmetric Duffing oscillator and therefore unrealistic anharmonic corrections for normal modes where this proton vibration is involved have been obtained. The spectral modification due to the anharmonic corrections, solvent effects and the influence of sugar-phosphate group for the Watson-Crick and Hoogsteen base pair configurations, respectively, were also discussed. For the Watson-Crick case also the influence of the stacking interaction on the theoretical IR and Raman spectra was analyzed. Including the anharmonic correction in our normal mode analysis is essential if one wants to obtain correct assignments of the theoretical frequency values as compared with the experimental spectra.

Heat transport in an anharmonic crystal

NASA Astrophysics Data System (ADS)

Acharya, Shiladitya; Mukherjee, Krishnendu

2018-04-01

We study transport of heat in an ordered, anharmonic crystal in the form of slab geometry in three dimensions. Apart from attaching baths of Langevin type to two extreme surfaces, we also attach baths of same type to the intermediate surfaces of the slab. Since the crystal is uninsulated, it exchanges energy with the intermediate heat baths. We find that both Fourier’s law of heat conduction and the Newton’s law of cooling hold to leading order in anharmonic coupling. The leading behavior of the temperature profile is exponentially falling from high to low temperature surface of the slab. As the anharmonicity increases, profiles fall more below the harmonic one in the log plot. In the thermodynamic limit thermal conductivity remains independent of the environment temperature and its leading order anharmonic contribution is linearly proportional to the temperature change between the two extreme surfaces of the slab. A fast crossover from one-dimensional (1D) to three-dimensional (3D) behavior of the thermal conductivity is observed in the system.

Rigorous quantum limits on monitoring free masses and harmonic oscillators

NASA Astrophysics Data System (ADS)

Roy, S. M.

2018-03-01

There are heuristic arguments proposing that the accuracy of monitoring position of a free mass m is limited by the standard quantum limit (SQL): σ2( X (t ) ) ≥σ2( X (0 ) ) +(t2/m2) σ2( P (0 ) ) ≥ℏ t /m , where σ2( X (t ) ) and σ2( P (t ) ) denote variances of the Heisenberg representation position and momentum operators. Yuen [Phys. Rev. Lett. 51, 719 (1983), 10.1103/PhysRevLett.51.719] discovered that there are contractive states for which this result is incorrect. Here I prove universally valid rigorous quantum limits (RQL), viz. rigorous upper and lower bounds on σ2( X (t ) ) in terms of σ2( X (0 ) ) and σ2( P (0 ) ) , given by Eq. (12) for a free mass and by Eq. (36) for an oscillator. I also obtain the maximally contractive and maximally expanding states which saturate the RQL, and use the contractive states to set up an Ozawa-type measurement theory with accuracies respecting the RQL but beating the standard quantum limit. The contractive states for oscillators improve on the Schrödinger coherent states of constant variance and may be useful for gravitational wave detection and optical communication.

Critical examination of quantum oscillations in SmB6

NASA Astrophysics Data System (ADS)

Riseborough, Peter S.; Fisk, Z.

2017-11-01

We critically review the results of magnetic torque measurements on SmB6 that show quantum oscillations. Similar studies have been given two different interpretations. One interpretation is based on the existence of metallic surface states, while the second interpretation is in terms of a three-dimensional Fermi surface involving neutral fermionic excitations. We suggest that the low-field oscillations that are seen by both groups for B fields as small as 6 T might be due to metallic surface states. The high-field three-dimensional oscillations are only seen by one group for fields B >18 T. The phenomenon of magnetic breakthrough occurs at high fields and involves the formation of Landau orbits that produces a directional-dependent suppression of Bragg scattering. We argue that the measurements performed under higher-field conditions are fully consistent with expectations based on a three-dimensional semiconducting state with magnetic breakthrough.

New quantum oscillations in current driven small junctions

NASA Technical Reports Server (NTRS)

Ben-Jacob, E.; Gefen, Y.

1985-01-01

The response of current-biased Josephson and normal tunnel junctions (JJs and NTJs) such as those fabricated by Voss and Webb (1981) is predicted from a quantum-mechanical description based on the observation that the response of a current-driven open system is equivalent to that of a closed system subject to an external time-dependent voltage bias. Phenomena expected include voltage oscillations with no dc voltage applied, inverse Shapiro steps of dc voltage in the presence of microwave radiation, voltage oscillation in a JJ and an NTJ coupled by a capacitance to a current-biased junction, JJ voltage oscillation frequency = I/e rather than I/2e, and different NTJ resistance than in the voltage-driven case. The effects require approximate experimental parameter values Ic = 15 nA, C = 1 fF, and T much less than 0.4 K for JJs and Ic = a few nA, C = 1 fF, and R = 3 kiloohms for 100-microV inverse Shapiro steps at 10 GHz in NTJs.

Quantum oscillations in the mixed state of d -wave superconductors

NASA Astrophysics Data System (ADS)

Melikyan, Ashot; Vafek, Oskar

2008-07-01

We show that the low-energy density of quasiparticle states in the mixed state of ultraclean dx2-y2 -wave superconductors exhibits quantum oscillations even in the regime where the cyclotron frequency ℏωc≪Δ0 , the d -wave pairing gap. Such oscillations as a function of magnetic field B are argued to be due to the internodal scattering of the nodal quasiparticles near wave vectors (±kD,±kD) by the vortex lattice as well as their Zeeman coupling. While the nominal periodicity of the oscillations is set by the condition kD[hc/(eB)]1/2≡kD'[hc/(eB')]1/2(mod2π) , we find that there is additional structure within each period that grows in complexity as the Dirac node anisotropy increases.

Statistics of work performed on a forced quantum oscillator.

PubMed

Talkner, Peter; Burada, P Sekhar; Hänggi, Peter

2008-07-01

Various aspects of the statistics of work performed by an external classical force on a quantum mechanical system are elucidated for a driven harmonic oscillator. In this special case two parameters are introduced that are sufficient to completely characterize the force protocol. Explicit results for the characteristic function of work and the corresponding probability distribution are provided and discussed for three different types of initial states of the oscillator: microcanonical, canonical, and coherent states. Depending on the choice of the initial state the probability distributions of the performed work may greatly differ. This result in particular also holds true for identical force protocols. General fluctuation and work theorems holding for microcanonical and canonical initial states are confirmed.

Analytic calculations of anharmonic infrared and Raman vibrational spectra

PubMed Central

Louant, Orian; Ruud, Kenneth

2016-01-01

Using a recently developed recursive scheme for the calculation of high-order geometric derivatives of frequency-dependent molecular properties [Ringholm et al., J. Comp. Chem., 2014, 35, 622], we present the first analytic calculations of anharmonic infrared (IR) and Raman spectra including anharmonicity both in the vibrational frequencies and in the IR and Raman intensities. In the case of anharmonic corrections to the Raman intensities, this involves the calculation of fifth-order energy derivatives—that is, the third-order geometric derivatives of the frequency-dependent polarizability. The approach is applicable to both Hartree–Fock and Kohn–Sham density functional theory. Using generalized vibrational perturbation theory to second order, we have calculated the anharmonic infrared and Raman spectra of the non- and partially deuterated isotopomers of nitromethane, where the inclusion of anharmonic effects introduces combination and overtone bands that are observed in the experimental spectra. For the major features of the spectra, the inclusion of anharmonicities in the calculation of the vibrational frequencies is more important than anharmonic effects in the calculated infrared and Raman intensities. Using methanimine as a trial system, we demonstrate that the analytic approach avoids errors in the calculated spectra that may arise if numerical differentiation schemes are used. PMID:26784673

Thermal conductivity of an imperfect anharmonic crystal

NASA Astrophysics Data System (ADS)

Sahu, D. N.; Sharma, P. K.

1983-09-01

The thermal conductivity of an anharmonic crystal containing randomly distributed substitutional defects due to impurity-phonon scattering is theoretically investigated with the use of the method of double-time thermal Green's functions and the Kubo formalism considering all the terms, i.e., diagonal, nondiagonal, cubic anharmonic, and imperfection terms in the energy-flux operator as propounded by Hardy. The study uses cubic, quartic anharmonic, and defect terms in the Hamiltonian. Mass changes as well as force-constant changes between impurity and host-lattice atoms are taken into account explicitly. It is shown that the total conductivity can be written as a sum of contributions, namely diagonal, nondiagonal, anharmonic, and imperfection contributions. For phonons of small halfwidth, the diagonal contribution has precisely the same form which is obtained from Boltzmann's transport equation for impurity scattering in the relaxation-time approximation. The present study shows that there is a finite contribution of the nondiagonal term, cubic anharmonic term, and the term due to lattice imperfections in the energy-flux operator to the thermal conductivity although the contribution is small compared with that from the diagonal part. We have also discussed the feasibility of numerical evaluation of the various contributions to the thermal conductivity.

Squeezed light in an optical parametric oscillator network with coherent feedback quantum control.

PubMed

Crisafulli, Orion; Tezak, Nikolas; Soh, Daniel B S; Armen, Michael A; Mabuchi, Hideo

2013-07-29

We present squeezing and anti-squeezing spectra of the output from a degenerate optical parametric oscillator (OPO) network arranged in different coherent quantum feedback configurations. One OPO serves as a quantum plant, the other as a quantum controller. The addition of coherent feedback enables shaping of the output squeezing spectrum of the plant, and is found to be capable of pushing the frequency of maximum squeezing away from the optical driving frequency and broadening the spectrum over a wider frequency band. The experimental results are in excellent agreement with the developed theory, and illustrate the use of coherent quantum feedback to engineer the quantum-optical properties of the plant OPO output.

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions.

PubMed

Liu, Jian; Miller, William H

2011-03-14

We show the exact expression of the quantum mechanical time correlation function in the phase space formulation of quantum mechanics. The trajectory-based dynamics that conserves the quantum canonical distribution-equilibrium Liouville dynamics (ELD) proposed in Paper I is then used to approximately evaluate the exact expression. It gives exact thermal correlation functions (of even nonlinear operators, i.e., nonlinear functions of position or momentum operators) in the classical, high temperature, and harmonic limits. Various methods have been presented for the implementation of ELD. Numerical tests of the ELD approach in the Wigner or Husimi phase space have been made for a harmonic oscillator and two strongly anharmonic model problems, for each potential autocorrelation functions of both linear and nonlinear operators have been calculated. It suggests ELD can be a potentially useful approach for describing quantum effects for complex systems in condense phase.

Stochastic many-body perturbation theory for anharmonic molecular vibrations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hermes, Matthew R.; Hirata, So, E-mail: sohirata@illinois.edu; CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012

2014-08-28

A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value ofmore » a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.« less

Determination of anisotropic dipole moments in self-assembled quantum dots using Rabi oscillations

NASA Astrophysics Data System (ADS)

Muller, A.; Wang, Q. Q.; Bianucci, P.; Shih, C. K.; Xue, Q. K.

2004-02-01

By investigating the polarization-dependent Rabi oscillations using photoluminescence spectroscopy, we determined the respective transition dipole moments of the two excited excitonic states |Ex> and |Ey> of a single self-assembled quantum dot that are nondegenerate due to shape anisotropy. We find that the ratio of the two dipole moments is close to the physical elongation ratio of the quantum dot.

Suppression of quantum decoherence via infrared-driven coherent exciton-plasmon coupling: Undamped field and Rabi oscillations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sadeghi, S. M., E-mail: seyed.sadeghi@uah.edu; Nano and Micro Device Center, University of Alabama in Huntsville, Huntsville, Alabama 35899; Patty, K. D.

2014-02-24

We show that when a semiconductor quantum dot is in the vicinity of a metallic nanoparticle and driven by a mid-infrared laser field, its coherent dynamics caused by interaction with a visible laser field can become free of quantum decoherence. We demonstrate that this process, which can offer undamped Rabi and field oscillations, is the result of coherent normalization of the “effective” polarization dephasing time of the quantum dot (T{sub 2}{sup *}). This process indicates formation of infrared-induced coherently forced oscillations, which allows us to control the value of T{sub 2}{sup *} using the infrared laser. The results offer decay-freemore » ultrafast modulation of the effective field experienced by the quantum dot when neither the visible laser field nor the infrared laser changes with time.« less

Critical fluctuations and the rates of interstate switching near the excitation threshold of a quantum parametric oscillator.

PubMed

Lin, Z R; Nakamura, Y; Dykman, M I

2015-08-01

We study the dynamics of a nonlinear oscillator near the critical point where period-two vibrations are first excited with the increasing amplitude of parametric driving. Above the threshold, quantum fluctuations induce transitions between the period-two states over the quasienergy barrier. We find the effective quantum activation energies for such transitions and their scaling with the difference of the driving amplitude from its critical value. We also find the scaling of the fluctuation correlation time with the quantum noise parameters in the critical region near the threshold. The results are extended to oscillators with nonlinear friction.

Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

DOE PAGES

Mendl, Christian B.; Lu, Jianfeng; Lukkarinen, Jani

2016-12-02

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remainsmore » conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.« less

Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mendl, Christian B.; Lu, Jianfeng; Lukkarinen, Jani

We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding Boltzmann-Peierls kinetic theory. The Wigner function serves as a common interface between the microscopic and kinetic level. We demonstrate quantitative agreement after an initial transient time interval. In particular, besides energy conservation, we observe the additional quasiconservation of the phonon density, defined via an ensemble average of the related microscopic field variables and exactly conserved by the kinetic equations. On superkinetic time scales, density quasiconservation is lost while energy remainsmore » conserved, and we find evidence for eventual relaxation of the density to its canonical ensemble value. Furthermore, the precise mechanism remains unknown and is not captured by the Boltzmann-Peierls equations.« less

Magnetostriction and magnetoelastic quantum oscillations in P-type lead telluride

NASA Technical Reports Server (NTRS)

Thompson, T. E.; Aron, P. R.; Chandrasekhar, B. S.; Langenberg, D. N.

1972-01-01

A detailed experimental and theoretical study of quantum oscillations in the magnetostriction and Young's modulus of p-PbTe is presented. The valance band of PbTe is approximated by a spheroidal, nonparabolic model in which the effects of strain on the valance band parameters are described by a deformation potential model. Using appropriate thermodynamic derivatives of the modified Lifshitz-Kosevich expression for the oscillatory parts of the electronic free energy, it is shown that both types of oscillations arise mainly from relative shifts of the valance band maxima due to shear strains, accompanied by intervalley charge transfer. Band parameters derived from the periods, phases, and spin splitting of the oscillations are in generally good agreement with values reported by other workers. A detailed comparison is made of the experimentally observed oscillation amplitudes with those predicted by theory, and satisfactory agreement is found. The ratio of the amplitudes of the two effects yields a value of the valance band deformation potential in good agreement with a value found from piezoresistance experiments by Burke.

Quantum phase transitions in the noncommutative Dirac oscillator

NASA Astrophysics Data System (ADS)

Panella, O.; Roy, P.

2014-10-01

We study the (2 + 1)-dimensional Dirac oscillator in a homogeneous magnetic field in the noncommutative plane. It is shown that the effect of noncommutativity is twofold: (i) momentum noncommuting coordinates simply shift the critical value (Bcr) of the magnetic field at which the well known left-right chiral quantum phase transition takes place (in the commuting phase); (ii) noncommutativity in the space coordinates induces a new critical value of the magnetic field, Bcr*, where there is a second quantum phase transition (right-left): this critical point disappears in the commutative limit. The change in chirality associated with the magnitude of the magnetic field is examined in detail for both critical points. The phase transitions are described in terms of the magnetization of the system. Possible applications to the physics of silicene and graphene are briefly discussed.

Transport and Quantum Coherence in Graphene Rings: Aharonov-Bohm Oscillations, Klein Tunneling, and Particle Localization

NASA Astrophysics Data System (ADS)

Filusch, Alexander; Wurl, Christian; Pieper, Andreas; Fehske, Holger

2018-06-01

Simulating quantum transport through mesoscopic, ring-shaped graphene structures, we address various quantum coherence and interference phenomena. First, a perpendicular magnetic field, penetrating the graphene ring, gives rise to Aharonov-Bohm oscillations in the conductance as a function of the magnetic flux, on top of the universal conductance fluctuations. At very high fluxes, the interference gets suppressed and quantum Hall edge channels develop. Second, applying an electrostatic potential to one of the ring arms, nn'n- or npn-junctions can be realized with particle transmission due to normal tunneling or Klein tunneling. In the latter case, the Aharonov-Bohm oscillations weaken for smooth barriers. Third, if potential disorder comes in to play, both Aharonov-Bohm and Klein tunneling effects rate down, up to the point where particle localization sets in.

Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-06-01

We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam; Dehestani, Maryam

2018-03-01

We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

Trapped-ion quantum logic gates based on oscillating magnetic fields.

PubMed

Ospelkaus, C; Langer, C E; Amini, J M; Brown, K R; Leibfried, D; Wineland, D J

2008-08-29

Oscillating magnetic fields and field gradients can be used to implement single-qubit rotations and entangling multiqubit quantum gates for trapped-ion quantum information processing (QIP). With fields generated by currents in microfabricated surface-electrode traps, it should be possible to achieve gate speeds that are comparable to those of optically induced gates for realistic distances between the ion crystal and the electrode surface. Magnetic-field-mediated gates have the potential to significantly reduce the overhead in laser-beam control and motional-state initialization compared to current QIP experiments with trapped ions and will eliminate spontaneous scattering, a fundamental source of decoherence in laser-mediated gates.

A study of the orthogonal polynomials associated with the quantum harmonic oscillator on constant curvature spaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vignat, C.; Lamberti, P. W.

2009-10-15

Recently, Carinena, et al. [Ann. Phys. 322, 434 (2007)] introduced a new family of orthogonal polynomials that appear in the wave functions of the quantum harmonic oscillator in two-dimensional constant curvature spaces. They are a generalization of the Hermite polynomials and will be called curved Hermite polynomials in the following. We show that these polynomials are naturally related to the relativistic Hermite polynomials introduced by Aldaya et al. [Phys. Lett. A 156, 381 (1991)], and thus are Jacobi polynomials. Moreover, we exhibit a natural bijection between the solutions of the quantum harmonic oscillator on negative curvature spaces and on positivemore » curvature spaces. At last, we show a maximum entropy property for the ground states of these oscillators.« less

Classical and quantum decay of oscillations: Oscillating self-gravitating real scalar field solitons

NASA Astrophysics Data System (ADS)

Page, Don N.

2004-07-01

The oscillating gravitational field of an oscillaton of finite mass M causes it to lose energy by emitting classical scalar field waves, but at a rate that is nonperturbatively tiny for small μ≡GMm/ħc, where m is the scalar field mass: dM/dt≈-3 797 437.776(c3/G)μ-2e-39.433 795 197/μ[1+O(μ)]. Oscillatons also decay by the quantum process of the annihilation of scalarons into gravitons, which is only perturbatively small in μ, giving by itself dM/dt≈-0.008 513 223 935(m2c2/ħ)μ5[1+O(μ2)]. Thus the quantum decay is faster than the classical one for μ≲39.4338/[ln(ħc/Gm2)+7 ln(1/μ)+19.9160]. The time for an oscillaton to decay away completely into free scalarons and gravitons is tdecay˜2ħ6c3/G5m11˜10324 yr(1 meV/mc2)11. Oscillatons of more than one real scalar field of the same mass generically asymptotically approach a static-geometry U(1) boson star configuration with μ=μ0, at the rate d(GM/c3)/dt≈[(C/μ4)e-α/μ+Q(m/mPl)2μ3](μ2-μ20), with μ0 depending on the magnitudes and relative phases of the oscillating fields, and with the same constants C, α, and Q given numerically above for the single-field case that is equivalent to μ0=0.

Nonequilibrium steady state in open quantum systems: Influence action, stochastic equation and power balance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsiang, J.-T., E-mail: cosmology@gmail.com; Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan; Hu, B.L.

2015-11-15

The existence and uniqueness of a steady state for nonequilibrium systems (NESS) is a fundamental subject and a main theme of research in statistical mechanics for decades. For Gaussian systems, such as a chain of classical harmonic oscillators connected at each end to a heat bath, and for classical anharmonic oscillators under specified conditions, definitive answers exist in the form of proven theorems. Answering this question for quantum many-body systems poses a challenge for the present. In this work we address this issue by deriving the stochastic equations for the reduced system with self-consistent backaction from the two baths, calculatingmore » the energy flow from one bath to the chain to the other bath, and exhibiting a power balance relation in the total (chain + baths) system which testifies to the existence of a NESS in this system at late times. Its insensitivity to the initial conditions of the chain corroborates to its uniqueness. The functional method we adopt here entails the use of the influence functional, the coarse-grained and stochastic effective actions, from which one can derive the stochastic equations and calculate the average values of physical variables in open quantum systems. This involves both taking the expectation values of quantum operators of the system and the distributional averages of stochastic variables stemming from the coarse-grained environment. This method though formal in appearance is compact and complete. It can also easily accommodate perturbative techniques and diagrammatic methods from field theory. Taken all together it provides a solid platform for carrying out systematic investigations into the nonequilibrium dynamics of open quantum systems and quantum thermodynamics. -- Highlights: •Nonequilibrium steady state (NESS) for interacting quantum many-body systems. •Derivation of stochastic equations for quantum oscillator chain with two heat baths. •Explicit calculation of the energy flow from one bath to

Morse oscillator propagator in the high temperature limit II: Quantum dynamics and spectroscopy

NASA Astrophysics Data System (ADS)

Toutounji, Mohamad

2018-04-01

This paper is a continuation of Paper I (Toutounji, 2017) of which motivation was testing the applicability of Morse oscillator propagator whose analytical form was derived by Duru (1983). This is because the Morse oscillator propagator was reported (Duru, 1983) in a triple-integral form of a functional of modified Bessel function of the first kind, which considerably limits its applicability. For this reason, I was prompted to find a regime under which Morse oscillator propagator may be simplified and hence be expressed in a closed-form. This was well accomplished in Paper I. Because Morse oscillator is of central importance and widely used in modelling vibrations, its propagator applicability will be extended to applications in quantum dynamics and spectroscopy as will be reported in this paper using the off-diagonal propagator of Morse oscillator whose analytical form is derived.

Anharmonic Oscillations of a Spring-Magnet System inside a Magnetic Coil

ERIC Educational Resources Information Center

Ladera, Celso L.; Donoso, Guillermo

2012-01-01

We consider the nonlinear oscillations of a simple spring-magnet system that oscillates in the magnetic field of an inductive coil excited with a dc current. Using the relations for the interaction of a coil and a magnet we obtain the motion equation of the system. The relative strengths of the terms of this equation can be adjusted easily by…

Symmetry breaking, Josephson oscillation and self-trapping in a self-bound three-dimensional quantum ball.

PubMed

Adhikari, S K

2017-11-22

We study spontaneous symmetry breaking (SSB), Josephson oscillation, and self-trapping in a stable, mobile, three-dimensional matter-wave spherical quantum ball self-bound by attractive two-body and repulsive three-body interactions. The SSB is realized by a parity-symmetric (a) one-dimensional (1D) double-well potential or (b) a 1D Gaussian potential, both along the z axis and no potential along the x and y axes. In the presence of each of these potentials, the symmetric ground state dynamically evolves into a doubly-degenerate SSB ground state. If the SSB ground state in the double well, predominantly located in the first well (z > 0), is given a small displacement, the quantum ball oscillates with a self-trapping in the first well. For a medium displacement one encounters an asymmetric Josephson oscillation. The asymmetric oscillation is a consequence of SSB. The study is performed by a variational and a numerical solution of a non-linear mean-field model with 1D parity-symmetric perturbations.

Anharmonicity of three minerals at high temperature: Forsterite, fayalite, and periclase

NASA Astrophysics Data System (ADS)

Anderson, O. L.; Suzuki, I.

1983-04-01

Recent data on Ks (the adiabatic bulk modulus) and α (the volume coefficient of thermal expansion) versus T (temperature) at high temperatures (500°C < T < 1000°C) have been published or are in press. These data, taken at ambient pressure, extend the measurement of single-crystal elastic constants for forsterite, fayalite and periclase to record temperatures. The high temperature anharmonic properties of forsterite and fayalite are presented for the first time in this paper, and they are compared with similar previously published data for MgO. The anharmonic properties referred to above concern the dependence of γ (the Grüneisen ratio), PTH (the thermal pressure), and Cv (the specific heat) with T. If γ (at constant V) is independent of T at high T, the anharmonicity in γ is said to be nil; similarly, for Cv. If PTH at constant V is proportional to T at high T, then the anharmonicity in PTH is said to be nil. The anharmonicity determined by these experiments indicates that the minerals are not alike with regard to their properties γ, PTH, and Cv. The γ versus T at constant V indicates that there is anharmonicity for all three minerals, but the effects are opposite in fayalite and forsterite in such a way that anharmonicity should be absent in olivine. For PTH at 1 bar, anharmonicity is detectable and positive in forsterite, absent in fayalite, and detectable and negative in periclase. It would be slight in olivine. In all three solids, anharmonicity in Cv is pronounced and positive.

Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Slenkamp, Karla M.; Lynch, Michael S.; Van Kuiken, Benjamin E.

2014-02-28

Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (ν{sub CN}) vibrations found in [(NH{sub 3}){sub 5}Ru{sup III}NCFe{sup II}(CN){sub 5}]{sup −} (FeRu) dissolved in D{sub 2}O and formamide and [(NC){sub 5}Fe{sup II}CNPt{sup IV}(NH{sub 3}){sub 4}NCFe{sup II}(CN){sub 5}]{sup 4−} (FePtFe) dissolved in D{sub 2}O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the ν{sub CN} modes in the electronic ground state. The FTIR spectramore » of the ν{sub CN} modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic ν{sub CN} modes. The vibrational mode anharmonicities of the individual ν{sub CN} modes range from 14 to 28 cm{sup −1}. The mixed-mode anharmonicities range from 2 to 14 cm{sup −1}. In general, the bridging ν{sub CN} mode is most weakly coupled to the radial ν{sub CN} mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four ν{sub CN} modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D{sub 2}O. The ν{sub CN} modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm{sup −1}. This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the ν{sub CN} modes in cyanide-bridged transition metal mixed valence complexes.« less

Coulomb Oscillations in a Gate-Controlled Few-Layer Graphene Quantum Dot.

PubMed

Song, Yipu; Xiong, Haonan; Jiang, Wentao; Zhang, Hongyi; Xue, Xiao; Ma, Cheng; Ma, Yulin; Sun, Luyan; Wang, Haiyan; Duan, Luming

2016-10-12

Graphene quantum dots could be an ideal host for spin qubits and thus have been extensively investigated based on graphene nanoribbons and etched nanostructures; however, edge and substrate-induced disorders severely limit device functionality. Here, we report the confinement of quantum dots in few-layer graphene with tunable barriers, defined by local strain and electrostatic gating. Transport measurements unambiguously reveal that confinement barriers are formed by inducing a band gap via the electrostatic gating together with local strain induced constriction. Numerical simulations according to the local top-gate geometry confirm the band gap opening by a perpendicular electric field. We investigate the magnetic field dependence of the energy-level spectra in these graphene quantum dots. Experimental results reveal a complex evolution of Coulomb oscillations with the magnetic field, featuring kinks at level crossings. The simulation of energy spectrum shows that the kink features and the magnetic field dependence are consistent with experimental observations, implying the hybridized nature of energy-level spectrum of these graphene quantum dots.

Quantum oscillation and the Aharonov-Bohm effect in a multiply connected normal-conductor loop

NASA Astrophysics Data System (ADS)

Takai, Daisuke; Ohta, Kuniichi

1994-12-01

The magnetostatic and electrostatic Aharonov-Bohm (AB) effects in multiply connected normal-conductor rings are studied. A previously developed model of a single mesoscopic ring is generalized to include an arbitrary number of rings, and the oscillatory behavior of the total transmission coefficients for the serially connected N (N is equal to integer) rings are derived as a function of the magnetic flux threading each ring and as a function of the electrostatic potential applied to the rings. It is shown that quantum oscillation of multiple rings exhibits greater variety of behavior than in periodic superlattices. We investigate the influence of the scattering at a junction and the number of atoms in the ring in both magnetostatic and electrostatic oscillation of multiring systems. For the electrostatic AB effects, when scattering occurs at the junctions between the connecting wire and the ring, the conductance in the AB oscillation is modified to an N-1 peaked shape. It is shown that this oscillatory behavior is greatly influenced by the number of atoms in the ring and is controlled by the electrostatic potential or magnetic flux that is applied to the ring. We discuss the behavior of the quantum oscillations upon varying the number of connected rings and the number of minibands.

Quantum solvability of a general ordered position dependent mass system: Mathews-Lakshmanan oscillator

NASA Astrophysics Data System (ADS)

Karthiga, S.; Chithiika Ruby, V.; Senthilvelan, M.; Lakshmanan, M.

2017-10-01

In position dependent mass (PDM) problems, the quantum dynamics of the associated systems have been understood well in the literature for particular orderings. However, no efforts seem to have been made to solve such PDM problems for general orderings to obtain a global picture. In this connection, we here consider the general ordered quantum Hamiltonian of an interesting position dependent mass problem, namely, the Mathews-Lakshmanan oscillator, and try to solve the quantum problem for all possible orderings including Hermitian and non-Hermitian ones. The other interesting point in our study is that for all possible orderings, although the Schrödinger equation of this Mathews-Lakshmanan oscillator is uniquely reduced to the associated Legendre differential equation, their eigenfunctions cannot be represented in terms of the associated Legendre polynomials with integral degree and order. Rather the eigenfunctions are represented in terms of associated Legendre polynomials with non-integral degree and order. We here explore such polynomials and represent the discrete and continuum states of the system. We also exploit the connection between associated Legendre polynomials with non-integral degree with other orthogonal polynomials such as Jacobi and Gegenbauer polynomials.

Quantum Correlations of Light from a Room-Temperature Mechanical Oscillator

NASA Astrophysics Data System (ADS)

Sudhir, V.; Schilling, R.; Fedorov, S. A.; Schütz, H.; Wilson, D. J.; Kippenberg, T. J.

2017-07-01

When an optical field is reflected from a compliant mirror, its intensity and phase become quantum-correlated due to radiation pressure. These correlations form a valuable resource: the mirror may be viewed as an effective Kerr medium generating squeezed states of light, or the correlations may be used to erase backaction from an interferometric measurement of the mirror's position. To date, optomechanical quantum correlations have been observed in only a handful of cryogenic experiments, owing to the challenge of distilling them from thermomechanical noise. Accessing them at room temperature, however, would significantly extend their practical impact, with applications ranging from gravitational wave detection to chip-scale accelerometry. Here, we observe broadband quantum correlations developed in an optical field due to its interaction with a room-temperature nanomechanical oscillator, taking advantage of its high-cooperativity near-field coupling to an optical microcavity. The correlations manifest as a reduction in the fluctuations of a rotated quadrature of the field, in a frequency window spanning more than an octave below mechanical resonance. This is due to coherent cancellation of the two sources of quantum noise contaminating the measured quadrature—backaction and imprecision. Supplanting the backaction force with an off-resonant test force, we demonstrate the working principle behind a quantum-enhanced "variational" force measurement.

Quantum noise and squeezing in optical parametric oscillator with arbitrary output coupling

NASA Technical Reports Server (NTRS)

Prasad, Sudhakar

1993-01-01

The redistribution of intrinsic quantum noise in the quadratures of the field generated in a sub-threshold degenerate optical parametric oscillator exhibits interesting dependences on the individual output mirror transmittances, when they are included exactly. We present a physical picture of this problem, based on mirror boundary conditions, which is valid for arbitrary transmittances. Hence, our picture applies uniformly to all values of the cavity Q factor representing, in the opposite extremes, both perfect oscillator and amplifier configurations. Beginning with a classical second-harmonic pump, we shall generalize our analysis to the finite amplitude and phase fluctuations of the pump.

Quantum break-time of de Sitter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dvali, Gia; Gómez, César; Zell, Sebastian, E-mail: georgi.dvali@physik.uni-muenchen.de, E-mail: cesar.gomez@uam.es, E-mail: sebastian.zell@campus.lmu.de

The quantum break-time of a system is the time-scale after which its true quantum evolution departs from the classical mean field evolution. For capturing it, a quantum resolution of the classical background—e.g., in terms of a coherent state—is required. In this paper, we first consider a simple scalar model with anharmonic oscillations and derive its quantum break-time. Next, following [1], we apply these ideas to de Sitter space. We formulate a simple model of a spin-2 field, which for some time reproduces the de Sitter metric and simultaneously allows for its well-defined representation as quantum coherent state of gravitons. Themore » mean occupation number N of background gravitons turns out to be equal to the de Sitter horizon area in Planck units, while their frequency is given by the de Sitter Hubble parameter. In the semi-classical limit, we show that the model reproduces all the known properties of de Sitter, such as the redshift of probe particles and thermal Gibbons-Hawking radiation, all in the language of quantum S -matrix scatterings and decays of coherent state gravitons. Most importantly, this framework allows to capture the 1/ N -effects to which the usual semi-classical treatment is blind. They violate the de Sitter symmetry and lead to a finite quantum break-time of the de Sitter state equal to the de Sitter radius times N . We also point out that the quantum-break time is inversely proportional to the number of particle species in the theory. Thus, the quantum break-time imposes the following consistency condition: older and species-richer universes must have smaller cosmological constants. For the maximal, phenomenologically acceptable number of species, the observed cosmological constant would saturate this bound if our Universe were 10{sup 100} years old in its entire classical history.« less

Quantum break-time of de Sitter

NASA Astrophysics Data System (ADS)

Dvali, Gia; Gómez, César; Zell, Sebastian

2017-06-01

The quantum break-time of a system is the time-scale after which its true quantum evolution departs from the classical mean field evolution. For capturing it, a quantum resolution of the classical background—e.g., in terms of a coherent state—is required. In this paper, we first consider a simple scalar model with anharmonic oscillations and derive its quantum break-time. Next, following [1], we apply these ideas to de Sitter space. We formulate a simple model of a spin-2 field, which for some time reproduces the de Sitter metric and simultaneously allows for its well-defined representation as quantum coherent state of gravitons. The mean occupation number N of background gravitons turns out to be equal to the de Sitter horizon area in Planck units, while their frequency is given by the de Sitter Hubble parameter. In the semi-classical limit, we show that the model reproduces all the known properties of de Sitter, such as the redshift of probe particles and thermal Gibbons-Hawking radiation, all in the language of quantum S-matrix scatterings and decays of coherent state gravitons. Most importantly, this framework allows to capture the 1/N-effects to which the usual semi-classical treatment is blind. They violate the de Sitter symmetry and lead to a finite quantum break-time of the de Sitter state equal to the de Sitter radius times N. We also point out that the quantum-break time is inversely proportional to the number of particle species in the theory. Thus, the quantum break-time imposes the following consistency condition: older and species-richer universes must have smaller cosmological constants. For the maximal, phenomenologically acceptable number of species, the observed cosmological constant would saturate this bound if our Universe were 10100 years old in its entire classical history.

Quantum Oscillations at Integer and Fractional Landau Level Indices in Single-Crystalline ZrTe 5

DOE PAGES

Yu, W.; Jiang, Y.; Yang, J.; ...

2016-10-14

A three-dimensional (3D) Dirac semimetal (DS) is an analogue of graphene, but with linear energy dispersion in all (three) momentum directions. 3D DSs have been a fertile playground in discovering novel quantum particles, for example Weyl fermions, in solid state systems. Many 3D DSs were theoretically predicted and experimentally confirmed. Here, we report here the results in exfoliated ZrTe 5 thin flakes from the studies of aberration-corrected scanning transmission electron microscopy and low temperature magneto-transport measurements. We observed several unique results. First, a π Berry phase was obtained from the Landau fan diagram of the Shubnikov-de Haas oscillations in themore » longitudinal conductivity σ xx. Second, the longitudinal resistivity ρ xx shows a linear magnetic field dependence in the quantum limit regime. Most surprisingly, quantum oscillations were also observed at fractional Landau level indices N = 5/3 and 7/5, demonstrating strong electron-electron interaction effects in ZrTe 5.« less

ABC of ladder operators for rationally extended quantum harmonic oscillator systems

NASA Astrophysics Data System (ADS)

Cariñena, José F.; Plyushchay, Mikhail S.

2017-07-01

The problem of construction of ladder operators for rationally extended quantum harmonic oscillator (REQHO) systems of a general form is investigated in the light of existence of different schemes of the Darboux-Crum-Krein-Adler transformations by which such systems can be generated from the quantum harmonic oscillator. Any REQHO system is characterized by the number of separated states in its spectrum, the number of ‘valence bands’ in which the separated states are organized, and by the total number of the missing energy levels and their position. All these peculiarities of a REQHO system are shown to be detected and reflected by a trinity (A^+/- , B^+/- , C^+/-) of the basic (primary) lowering and raising ladder operators related between themselves by certain algebraic identities with coefficients polynomially-dependent on the Hamiltonian. We show that all the secondary, higher-order ladder operators are obtainable by a composition of the basic ladder operators of the trinity which form the set of the spectrum-generating operators. Each trinity, in turn, can be constructed from the intertwining operators of the two complementary minimal schemes of the Darboux-Crum-Krein-Adler transformations.

Role of quantum correlations in light-matter quantum heat engines

NASA Astrophysics Data System (ADS)

Barrios, G. Alvarado; Albarrán-Arriagada, F.; Cárdenas-López, F. A.; Romero, G.; Retamal, J. C.

2017-11-01

We study a quantum Otto engine embedding a working substance composed of a two-level system interacting with a harmonic mode. The physical properties of the substance are described by a generalized quantum Rabi model arising in superconducting circuit realizations. We show that light-matter quantum correlation reduction during the hot bath stage and adiabatic stages act as an indicator for enhanced work extraction and efficiency, respectively. Also, we demonstrate that the anharmonic spectrum of the working substance has a direct impact on the transition from heat engine into refrigerator as the light-matter coupling is increased. These results shed light on the search for optimal conditions in the performance of quantum heat engines.

Quantum Oscillations at LaTiO3/SrTiO3 Interfaces

NASA Astrophysics Data System (ADS)

Veit, Michael; Suzuki, Yuri

Emergent metallic behavior at the interface of the Mott insulator LaTiO3 and the band insulator SrTiO3 was observed for the first time more than a decade ago. Since then the metallicity has been explained in terms of charge redistribution at the interface combined with lattice relaxation. However to date, Shubnikov de Haas oscillations have not been reported in this two dimensional metallic system. For ultrathin (3-4 unit cells) LaTiO3 thin films on SrTiO3, we report the observation of Shubnikov-de Haas oscillations whose frequency corresponds to a small Fermi pocket. Surprisingly the oscillation are only observed between 1 and 4 T. Above this range, the quantum limit is reached for this pocket so no more oscillations are observed. A Berry's phase of π is also detected in these oscillations. Additionally a strong in-plane anisotropic magnetoresistance was measured in the heterostructures which, along with the Berry's phase, is attributed to a giant Rashba coupling at the interface. This work is funded by a National Security Science Engineering Faculty Fellowship of the Department of Defense under N00014-15-1-0045.

Magnetotransport in Dirac metals: Chiral magnetic effect and quantum oscillations

DOE PAGES

Monteiro, Gustavo M.; Abanov, Alexander G.; Kharzeev, Dmitri E.

2015-10-08

Dirac metals are characterized by the linear dispersion of fermionic quasiparticles, with the Dirac point hidden inside a Fermi surface. We study the magnetotransport in these materials using chiral kinetic theory to describe within the same framework both the negative magnetoresistance caused by the chiral magnetic effect and quantum oscillations in the magnetoresistance due to the existence of the Fermi surface. Lastly, we discuss the relevance of obtained results to recent measurements on Cd 3As 2.

Topological nature of the node-arc semimetal PtSn4 probed by de Haas-van Alphen quantum oscillations

NASA Astrophysics Data System (ADS)

Wang, Y. J.; Liang, D. D.; Ge, M.; Yang, J.; Gong, J. X.; Luo, L.; Pi, L.; Zhu, W. K.; Zhang, C. J.; Zhang, Y. H.

2018-04-01

Dirac node arc semimetal state is a new topological quantum state which is proposed to exist in PtSn4 (Wu et al 2016 Dirac node arcs in PtSn4 Nat. Phys. 12 667–71). We present a systematic de Haas-van Alphen quantum oscillation study on this compound. Two intriguing oscillation branches, i.e. F 1 and F 2, are detected in the fast Fourier transformation spectra, both of which are characterized to possess tiny effective mass and ultrahigh quantum mobility. And the F 2 branch exhibits an angle-dependent nontrivial Berry phase. The features are consistent with the existence of the node arc semimetal state and shed new light on its complicated Fermi surfaces and topological nature.

Efficient Computation of Anharmonic Force Constants via q-space, with Application to Graphene

NASA Astrophysics Data System (ADS)

Kornbluth, Mordechai; Marianetti, Chris

We present a new approach for extracting anharmonic force constants from a sparse sampling of the anharmonic dynamical tensor. We calculate the derivative of the energy with respect to q-space displacements (phonons) and strain, which guarantees the absence of supercell image errors. Central finite differences provide a well-converged quadratic error tail for each derivative, separating the contribution of each anharmonic order. These derivatives populate the anharmonic dynamical tensor in a sparse mesh that bounds the Brillouin Zone, which ensures comprehensive sampling of q-space while exploiting small-cell calculations for efficient, high-throughput computation. This produces a well-converged and precisely-defined dataset, suitable for big-data approaches. We transform this sparsely-sampled anharmonic dynamical tensor to real-space anharmonic force constants that obey full space-group symmetries by construction. Machine-learning techniques identify the range of real-space interactions. We show the entire process executed for graphene, up to and including the fifth-order anharmonic force constants. This method successfully calculates strain-based phonon renormalization in graphene, even under large strains, which solves a major shortcoming of previous potentials.

Thickness dependent quantum oscillations of transport properties in topological insulator Bi2Te3 thin films

NASA Astrophysics Data System (ADS)

Rogacheva, E. I.; Budnik, A. V.; Sipatov, A. Yu.; Nashchekina, O. N.; Dresselhaus, M. S.

2015-02-01

The dependences of the electrical conductivity, the Hall coefficient, and the Seebeck coefficient on the layer thickness d (d = 18-600 nm) of p-type topological insulator Bi2Te3 thin films grown by thermal evaporation in vacuum on glass substrates were obtained at room temperature. In the thickness range of d = 18-100 nm, sustained oscillations with a substantial amplitude were revealed. The observed oscillations are well approximated by a harmonic function with a period Δd = (9.5 ± 0.5) nm. At d > 100 nm, the transport coefficients practically do not change as d is increased. The oscillations of the kinetic properties are attributed to the quantum size effects due to the hole confinement in the Bi2Te3 quantum wells. The results of the theoretical calculations of Δd within the framework of a model of an infinitely deep potential well are in good agreement with the experimental results. It is suggested that the substantial amplitude of the oscillations and their sustained character as a function of d are connected with the topologically protected gapless surface states of Bi2Te3 and are inherent to topological insulators.

Bistability and displacement fluctuations in a quantum nanomechanical oscillator

NASA Astrophysics Data System (ADS)

Avriller, R.; Murr, B.; Pistolesi, F.

2018-04-01

Remarkable features have been predicted for the mechanical fluctuations at the bistability transition of a classical oscillator coupled capacitively to a quantum dot [Micchi et al., Phys. Rev. Lett. 115, 206802 (2015), 10.1103/PhysRevLett.115.206802]. These results have been obtained in the regime ℏ ω0≪kBT ≪ℏ Γ , where ω0, T , and Γ are the mechanical resonating frequency, the temperature, and the tunneling rate, respectively. A similar behavior could be expected in the quantum regime of ℏ Γ ≪kBT ≪ℏ ω0 . We thus calculate the energy- and displacement-fluctuation spectra and study their behavior as a function of the electromechanical coupling constant when the system enters the Frank-Condon regime. We find that in analogy with the classical case, the energy-fluctuation spectrum and the displacement spectrum widths show a maximum for values of the coupling constant at which a mechanical bistability is established.

Understanding the evolution of anomalous anharmonicity in Bi 2 Te 3 - x Se x

DOE PAGES

Tian, Yao; Jia, Shuang; Cava, R. J.; ...

2017-03-08

The anharmonic effect in thermoelectrics has been a central topic for decades in both condensed matter physics and material science. However, despite the long-believed strong and complex anharmonicity in the Bi 2Te 3-xSe x series, experimental verification of anharmonicity and its evolution with doping remains elusive. We fill this important gap with high-resolution, temperature-dependent Raman spectroscopy in high-quality single crystals of Bi 2Te, Bi 2Te 2Se , and Bi 2Se 3 over the temperature range from 4 to 293 K. Klemens's model was employed to explain the renormalization of their phonon linewidths. The phonon energies of Bi 2Se 3 andmore » Bi 2Te 3 are analyzed in detail from three aspects: lattice expansion, cubic anharmonicity, and quartic anharmonicity. For the first time, we explain the evolution of anharmonicity in various phonon modes and across the series. Lastly, in particular, we find that the interplay between cubic and quartic anharmonicity is governed by their distinct dependence on the phonon density of states, providing insights into anomalous anharmonicity designing of new thermoelectrics.« less

Quantum lithography beyond the diffraction limit via Rabi-oscillations

NASA Astrophysics Data System (ADS)

Liao, Zeyang; Al-Amri, Mohammad; Zubairy, M. Suhail

2011-03-01

We propose a quantum optical method to do the sub-wavelength lithography. Our method is similar to the traditional lithography but adding a critical step before dissociating the chemical bound of the photoresist. The subwavelength pattern is achieved by inducing the multi-Rabi-oscillation between the two atomic levels. The proposed method does not require multiphoton absorption and the entanglement of photons. This method is expected to be realizable using current technology. This work is supported by a grant from the Qatar National Research Fund (QNRF) under the NPRP project and a grant from the King Abdulaziz City for Science and Technology (KACST).

Anisotropic Exciton Rabi Oscillation in Single Telecommunication-Band Quantum Dot

NASA Astrophysics Data System (ADS)

Miyazawa, Toshiyuki; Nakaoka, Toshihiro; Watanabe, Katsuyuki; Kumagai, Naoto; Yokoyama, Naoki; Arakawa, Yasuhiko

2010-06-01

Anisotropic Rabi oscillation in the exciton state in a single InAs/GaAs quantum dot (QD) was demonstrated in the telecommunication-band by selecting two orthogonal polarization angles of the excitation laser. Our InAs QDs were embedded in an intrinsic layer of an n-i-Schottky diode, which provides an electric field to extract photoexcited carriers from QDs. Owing to the potential anisotropy of QDs, the fine structure splitting (FSS) energy in the exciton state in single InAs QDs was ˜110 µeV, measured by polarization-resolved photocurrent spectroscopy. The ratio between two different Rabi frequencies, which reflect anisotropic dipole moments of two orthogonal exciton states, was estimated to be ˜1.2. This demonstrates that the selective control of two orthogonal polarized exciton states is a promising technique for exciton-based-quantum information devices compatible with fiber optics.

Tradeoffs between oscillator strength and lifetime in terahertz quantum cascade lasers

DOE PAGES

Chan, Chun Wang I.; Albo, Asaf; Hu, Qing; ...

2016-11-14

Contemporary research into diagonal active region terahertz quantum cascade lasers for high temperature operation has yielded little success. We present evidence that the failure of high diagonality alone as a design strategy is due to a fundamental trade-off between large optical oscillator strength and long upper-level lifetime. Here, we hypothesize that diagonality needs to be paired with increased doping in order to succeed, and present evidence that highly diagonal designs can benefit from much higher doping than normally found in terahertz quantum cascade lasers. In assuming the benefits of high diagonality paired with high doping, we also highlight important challengesmore » that need to be overcome, specifically the increased importance of carrier induced band-bending and impurity scattering.« less

Rare quantum metastable states in the strongly dispersive Jaynes-Cummings oscillator

NASA Astrophysics Data System (ADS)

Mavrogordatos, Th. K.; Barratt, F.; Asari, U.; Szafulski, P.; Ginossar, E.; Szymańska, M. H.

2018-03-01

We present evidence of metastable rare quantum-fluctuation switching for the driven dissipative Jaynes-Cummings oscillator coupled to a zero-temperature bath in the strongly dispersive regime. We show that single-atom complex amplitude bistability is accompanied by the appearance of a low-amplitude long-lived transient state, hereinafter called the "dark state", having a distribution with quasi-Poissonian statistics both for the coupled qubit and cavity mode. We find that the dark state is linked to a spontaneous flipping of the qubit state, detuning the cavity to a low-photon response. The appearance of the dark state is correlated with the participation of the two metastable states in the dispersive bistability, as evidenced by the solution of the master equation and single quantum trajectories.

Electric and magnetic field modulated energy dispersion, conductivity and optical response in double quantum wire with spin-orbit interactions

NASA Astrophysics Data System (ADS)

Karaaslan, Y.; Gisi, B.; Sakiroglu, S.; Kasapoglu, E.; Sari, H.; Sokmen, I.

2018-02-01

We study the influence of electric field on the electronic energy band structure, zero-temperature ballistic conductivity and optical properties of double quantum wire. System described by double-well anharmonic confinement potential is exposed to a perpendicular magnetic field and Rashba and Dresselhaus spin-orbit interactions. Numerical results show up that the combined effects of internal and external agents cause the formation of crossing, anticrossing, camel-back/anomaly structures and the lateral, downward/upward shifts in the energy dispersion. The anomalies in the energy subbands give rise to the oscillation patterns in the ballistic conductance, and the energy shifts bring about the shift in the peak positions of optical absorption coefficients and refractive index changes.

Phonon Scattering in Thermoelectrics: Thermal Transport, Strong Anharmonicity, and Emergent Quasiparticles

NASA Astrophysics Data System (ADS)

Delaire, Olivier

Modern neutron and x-ray spectrometers can map phonon dispersions and scattering rates throughout reciprocal space, providing unique insights into microscopic scattering mechanisms, including anharmonicity, electron-phonon coupling, or scattering by defects and nanostructures. In addition, first-principles simulations enable the rationalization of extensive experimental datasets. In particular, ab-initio molecular dynamics simulations can capture striking effects of anharmonicity near lattice instabilities. A number of high-performance thermoelectric materials are found in the vicinity of lattice instabilities, including Pb chalcogenides PbX, SnSe, Cu2Se, among others. The large phonon anharmonicity found in such compounds suppresses the lattice thermal conductivity, enhancing their thermoelectric efficiency. In this presentation, I will present results from our investigations of phonons in these materials using neutron and x-ray scattering combined with first-principles simulations, focusing on anharmonic effects near lattice instabilities. I will show how strong anharmonicity can lead to emergent quasiparticles qualitatively different from harmonic phonons, which we probe in our measurements and simulations of the phonon self-energy. Commonalities between systems will be highlighted, including connections between strong anharmonicity and the electronic structure. Funding from US DOE, Office of Basic Energy Sciences, Materials Science and Engineering Division, Office of Science Early Career program (DE-SC0016166), and as part of the S3TEC EFRC (DE-SC0001299).

Communication: HK propagator uniformized along a one-dimensional manifold in weakly anharmonic systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocia, Lucas, E-mail: lkocia@fas.harvard.edu; Heller, Eric J.

2014-11-14

A simplification of the Heller-Herman-Kluk-Kay (HK) propagator is presented that does not suffer from the need for an increasing number of trajectories with dimensions of the system under study. This is accomplished by replacing HK’s uniformizing integral over all of phase space by a one-dimensional curve that is appropriately selected to lie along the fastest growing manifold of a defining trajectory. It is shown that this modification leads to eigenspectra of quantum states in weakly anharmonic systems that can outperform the comparatively computationally cheap thawed Gaussian approximation method and frequently approach the accuracy of spectra obtained with the full HKmore » propagator.« less

Regularized linearization for quantum nonlinear optical cavities: application to degenerate optical parametric oscillators.

PubMed

Navarrete-Benlloch, Carlos; Roldán, Eugenio; Chang, Yue; Shi, Tao

2014-10-06

Nonlinear optical cavities are crucial both in classical and quantum optics; in particular, nowadays optical parametric oscillators are one of the most versatile and tunable sources of coherent light, as well as the sources of the highest quality quantum-correlated light in the continuous variable regime. Being nonlinear systems, they can be driven through critical points in which a solution ceases to exist in favour of a new one, and it is close to these points where quantum correlations are the strongest. The simplest description of such systems consists in writing the quantum fields as the classical part plus some quantum fluctuations, linearizing then the dynamical equations with respect to the latter; however, such an approach breaks down close to critical points, where it provides unphysical predictions such as infinite photon numbers. On the other hand, techniques going beyond the simple linear description become too complicated especially regarding the evaluation of two-time correlators, which are of major importance to compute observables outside the cavity. In this article we provide a regularized linear description of nonlinear cavities, that is, a linearization procedure yielding physical results, taking the degenerate optical parametric oscillator as the guiding example. The method, which we call self-consistent linearization, is shown to be equivalent to a general Gaussian ansatz for the state of the system, and we compare its predictions with those obtained with available exact (or quasi-exact) methods. Apart from its operational value, we believe that our work is valuable also from a fundamental point of view, especially in connection to the question of how far linearized or Gaussian theories can be pushed to describe nonlinear dissipative systems which have access to non-Gaussian states.

First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

NASA Astrophysics Data System (ADS)

Tadano, Terumasa; Tsuneyuki, Shinji

2018-04-01

We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory, and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreement with experimental data is obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way of studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

Modeling Stretching Modes of Common Organic Molecules with the Quantum Mechanical Harmonic Oscillator: An Undergraduate Vibrational Spectroscopy Laboratory Exercise

ERIC Educational Resources Information Center

Parnis, J. Mark; Thompson, Matthew G. K.

2004-01-01

An introductory undergraduate physical organic chemistry exercise that introduces the harmonic oscillator's use in vibrational spectroscopy is developed. The analysis and modeling exercise begins with the students calculating the stretching modes of common organic molecules with the help of the quantum mechanical harmonic oscillator (QMHO) model.

Pseudo Landau levels and quantum oscillations in strained Weyl semimetals

NASA Astrophysics Data System (ADS)

Alisultanov, Z. Z.

2018-05-01

The crystal lattice deformation in Weyl materials where the two chiralities are separated in momentum space leads to the appearance of gauge pseudo-fields. We investigated the pseudo-magnetic field induced quantum oscillations in strained Weyl semimetal (WSM). In contrast to all previous works on this problem, we use here a more general tilted Hamiltonian. Such Hamiltonian, seems to be is more suitable for a strained WSMs. We have shown that a pseudo-magnetic field induced magnetization of strained WSM is nonzero due to the fact that electric field (gradient of the deformation potential) is induced simultaneously with the pseudo-magnetic field. This related with fact that the pseudo Landau levels (LLs) in strained WSM are differ in vicinities of different WPs due to the presence of tilt in spectrum. Such violation of the equivalence between Weyl points (WPs) leads to modulation of quantum oscillations. We also showed that magnetization magnitude can be changed by application of an external electric field. In particular, it can be reduced to zero. The possibility of controlling of the magnetization by an electric field is interesting both from a fundamental point of view (a new type of magneto-electric effect) and application point of view (additional possibility to control diamagnetism of deformed WSMs). Finally, a coexistence of type-I and type-II Weyl fermions is possible in the system under investigation. Such phase is absolutely new for physics of topological systems.

N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations.

PubMed

Greve, Christian; Preketes, Nicholas K; Costard, Rene; Koeppe, Benjamin; Fidder, Henk; Nibbering, Erik T J; Temps, Friedrich; Mukamel, Shaul; Elsaesser, Thomas

2012-07-26

The N-H stretching vibrations of adenine, one of the building blocks of DNA, are studied by combining infrared absorption and nonlinear two-dimensional infrared spectroscopy with ab initio calculations. We determine diagonal and off-diagonal anharmonicities of N-H stretching vibrations in chemically modified adenosine monomer dissolved in chloroform. For the single-quantum excitation manifold, the normal mode picture with symmetric and asymmetric NH(2) stretching vibrations is fully appropriate. For the two-quantum excitation manifold, however, the interplay between intermode coupling and frequency shifts due to a large diagonal anharmonicity leads to a situation where strong mixing does not occur. We compare our findings with previously reported values obtained on overtone spectroscopy of coupled hydrogen stretching oscillators.

Elementary derivation of the quantum propagator for the harmonic oscillator

NASA Astrophysics Data System (ADS)

Shao, Jiushu

2016-10-01

Operator algebra techniques are employed to derive the quantum evolution operator for the harmonic oscillator. The derivation begins with the construction of the annihilation and creation operators and the determination of the wave function for the coherent state as well as its time-dependent evolution, and ends with the transformation of the propagator in a mixed position-coherent-state representation to the desired one in configuration space. Throughout the entire procedure, besides elementary operator manipulations, it is only necessary to solve linear differential equations and to calculate Gaussian integrals.

On the influence of anharmonicity on the isotope effect

NASA Astrophysics Data System (ADS)

Galbaatar, T.; Drechsler, S. L.; Plakida, N. M.; Vujicic, G. M.

1991-12-01

The effect of double-well type lattice anharmonicity on the superconducting temperature and its isotope effect is investigated beyond the two-level approximation (TLA) within the Eliashberg theory. It is shown that anharmonicity can greatly modify the isotope effect; In particular anomalously large as well as negative values of the isotope effect exponent α are obtained in the strong and weak coupling limits, respectively.

Implementation of ternary Shor’s algorithm based on vibrational states of an ion in anharmonic potential

NASA Astrophysics Data System (ADS)

Liu, Wei; Chen, Shu-Ming; Zhang, Jian; Wu, Chun-Wang; Wu, Wei; Chen, Ping-Xing

2015-03-01

It is widely believed that Shor’s factoring algorithm provides a driving force to boost the quantum computing research. However, a serious obstacle to its binary implementation is the large number of quantum gates. Non-binary quantum computing is an efficient way to reduce the required number of elemental gates. Here, we propose optimization schemes for Shor’s algorithm implementation and take a ternary version for factorizing 21 as an example. The optimized factorization is achieved by a two-qutrit quantum circuit, which consists of only two single qutrit gates and one ternary controlled-NOT gate. This two-qutrit quantum circuit is then encoded into the nine lower vibrational states of an ion trapped in a weakly anharmonic potential. Optimal control theory (OCT) is employed to derive the manipulation electric field for transferring the encoded states. The ternary Shor’s algorithm can be implemented in one single step. Numerical simulation results show that the accuracy of the state transformations is about 0.9919. Project supported by the National Natural Science Foundation of China (Grant No. 61205108) and the High Performance Computing (HPC) Foundation of National University of Defense Technology, China.

Anisotropic Exciton Rabi Oscillation in Single Telecommunication-Band Quantum Dot

NASA Astrophysics Data System (ADS)

Toshiyuki Miyazawa,; Toshihiro Nakaoka,; Katsuyuki Watanabe,; Naoto Kumagai,; Naoki Yokoyama,; Yasuhiko Arakawa,

2010-06-01

Anisotropic Rabi oscillation in the exciton state in a single InAs/GaAs quantum dot (QD) was demonstrated in the telecommunication-band by selecting two orthogonal polarization angles of the excitation laser. Our InAs QDs were embedded in an intrinsic layer of an n-i-Schottky diode, which provides an electric field to extract photoexcited carriers from QDs. Owing to the potential anisotropy of QDs, the fine structure splitting (FSS) energy in the exciton state in single InAs QDs was ˜110 μeV, measured by polarization-resolved photocurrent spectroscopy. The ratio between two different Rabi frequencies, which reflect anisotropic dipole moments of two orthogonal exciton states, was estimated to be ˜1.2. This demonstrates that the selective control of two orthogonal polarized exciton states is a promising technique for exciton-based-quantum information devices compatible with fiber optics.

A method of solving simple harmonic oscillator Schroedinger equation

NASA Technical Reports Server (NTRS)

Maury, Juan Carlos F.

1995-01-01

A usual step in solving totally Schrodinger equation is to try first the case when dimensionless position independent variable w is large. In this case the Harmonic Oscillator equation takes the form (d(exp 2)/dw(exp 2) - w(exp 2))F = 0, and following W.K.B. method, it gives the intermediate corresponding solution F = exp(-w(exp 2)/2), which actually satisfies exactly another equation, (d(exp 2)/dw(exp 2) + 1 - w(exp 2))F = 0. We apply a different method, useful in anharmonic oscillator equations, similar to that of Rampal and Datta, and although it is slightly more complicated however it is also more general and systematic.

Improving Density Functionals with Quantum Harmonic Oscillators

NASA Astrophysics Data System (ADS)

Tkatchenko, Alexandre

2013-03-01

Density functional theory (DFT) is the most widely used and successful approach for electronic structure calculations. However, one of the pressing challenges for DFT is developing efficient functionals that can accurately capture the omnipresent long-range electron correlations, which determine the structure and stability of many molecules and materials. Here we show that, under certain conditions, the problem of computing the long-range correlation energy of interacting electrons can be mapped to a system of coupled quantum harmonic oscillators (QHOs). The proposed model allows us to synergistically combine concepts from DFT, quantum chemistry, and the widely discussed random-phase approximation for the correlation energy. In the dipole limit, the interaction energy for a system of coupled QHOs can be calculated exactly, thereby leading to an efficient and accurate model for the many-body dispersion energy of complex molecules and materials. The studied examples include intermolecular binding energies, the conformational hierarchy of DNA structures, the geometry and stability of molecular crystals, and supramolecular host-guest complexes (A. Tkatchenko, R. A. DiStasio Jr., R. Car, M. Scheffler, Phys. Rev. Lett. 108, 236402 (2012); R. A. DiStasio Jr., A. von Lilienfeld, A. Tkatchenko, PNAS 109, 14791 (2012); A. Tkatchenko, D. Alfe, K. S. Kim, J. Chem. Theory and Comp. (2012), doi: 10.1021/ct300711r; A. Tkatchenko, A. Ambrosetti, R. A. DiStasio Jr., arXiv:1210.8343v1).

The Dirac-Moshinsky oscillator coupled to an external field and its connection to quantum optics

NASA Astrophysics Data System (ADS)

Torres, Juan Mauricio; Sadurní, Emerson; Seligman, Thomas H.

2010-12-01

The Dirac-Moshinsky oscillator is an elegant example of an exactly solvable quantum relativistic model that under certain circumstances can be mapped onto the Jaynes-Cummings model in quantum optics. In this work we show, how to do this in detail. Then we extend it by considering its coupling with an external (isospin) field and find the conditions that maintain solvability. We use this extended system to explore entanglement in relativistic systems and then identify its quantum optical analog: two different atoms interacting with an electromagnetic mode. We show different aspects of entanglement which gain relevance in this last system, which can be used to emulate the former.

Ramsey's method of separated oscillating fields and its application to gravitationally induced quantum phase shifts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abele, H.; Jenke, T.; Leeb, H.

2010-03-15

We propose to apply Ramsey's method of separated oscillating fields to the spectroscopy of the quantum states in the gravity potential above a horizontal mirror. This method allows a precise measurement of quantum mechanical phaseshifts of a Schroedinger wave packet bouncing off a hard surface in the gravitational field of the Earth. Measurements with ultracold neutrons will offer a sensitivity to Newton's law or hypothetical short-ranged interactions, which is about 21 orders of magnitude below the energy scale of electromagnetism.

Neurodynamic oscillators

NASA Technical Reports Server (NTRS)

Espinosa, Ismael; Gonzalez, Hortensia; Quiza, Jorge; Gonazalez, J. Jesus; Arroyo, Ruben; Lara, Ritaluz

1995-01-01

Oscillation of electrical activity has been found in many nervous systems, from invertebrates to vertebrates including man. There exists experimental evidence of very simple circuits with the capability of oscillation. Neurons with intrinsic oscillation have been found and also neural circuits where oscillation is a property of the network. These two types of oscillations coexist in many instances. It is nowadays hypothesized that behind synchronization and oscillation there is a system of coupled oscillators responsible for activities that range from locomotion and feature binding in vision to control of sleep and circadian rhythms. The huge knowledge that has been acquired on oscillators from the times of Lord Rayleigh has made the simulation of neural oscillators a very active endeavor. This has been enhanced with more recent physiological findings about small neural circuits by means of intracellular and extracellular recordings as well as imaging methods. The future of this interdisciplinary field looks very promising; some researchers are going into quantum mechanics with the idea of trying to provide a quantum description of the brain. In this work we describe some simulations using neuron models by means of which we form simple neural networks that have the capability of oscillation. We analyze the oscillatory activity with root locus method, cross-correlation histograms, and phase planes. In the more complicated neural network models there is the possibility of chaotic oscillatory activity and we study that by means of Lyapunov exponents. The companion paper shows an example of that kind.

Pulsed Rabi oscillations in quantum two-level systems: beyond the area theorem

NASA Astrophysics Data System (ADS)

Fischer, Kevin A.; Hanschke, Lukas; Kremser, Malte; Finley, Jonathan J.; Müller, Kai; Vučković, Jelena

2018-01-01

The area theorem states that when a short optical pulse drives a quantum two-level system, it undergoes Rabi oscillations in the probability of scattering a single photon. In this work, we investigate the breakdown of the area theorem as both the pulse length becomes non-negligible and for certain pulse areas. Using simple quantum trajectories, we provide an analytic approximation to the photon emission dynamics of a two-level system. Our model provides an intuitive way to understand re-excitation, which elucidates the mechanism behind the two-photon emission events that can spoil single-photon emission. We experimentally measure the emission statistics from a semiconductor quantum dot, acting as a two-level system, and show good agreement with our simple model for short pulses. Additionally, the model clearly explains our recent results (Fischer and Hanschke 2017 et al Nat. Phys.) showing dominant two-photon emission from a two-level system for pulses with interaction areas equal to an even multiple of π.

Oscillator strength and quantum-confined Stark effect of excitons in a thin PbS quantum disk

NASA Astrophysics Data System (ADS)

Oukerroum, A.; El-Yadri, M.; El Aouami, A.; Feddi, E.; Dujardin, F.; Duque, C. A.; Sadoqi, M.; Long, G.

2018-01-01

In this paper, we report a study of the effect of a lateral electric field on a quantum-confined exciton in a thin PbS quantum disk. Our approach was performed in the framework of the effective mass theory and adiabatic approximation. The ground state energy and the stark shift were determined by using a variational method with an adequate trial wavefunction, by investigating a 2D oscillator strength under simultaneous consideration of the geometrical confinement and the electric field strength. Our results showed a strong dependence of the exciton binding and the Stark shift on the disk dimensions in both axial and longitudinal directions. On the other hand, our results also showed that the Stark shift’s dependence on the electric field is not purely quadratic but the linear contribution is also important and cannot be neglected, especially when the confinement gets weaker.

Photoinduced fluorescence intensity oscillation in a reaction-diffusion cell containing a colloidal quantum dot dispersion

NASA Astrophysics Data System (ADS)

Komoto, Atsushi; Maenosono, Shinya

2006-09-01

The nonlinear spontaneous oscillation of photoluminescence (PL) intensity in an ensemble of semiconductor quantum dots (QDs), which differs from the fluorescence intermittency of a single QD, is investigated. The PL intensity in a QD dispersion slowly oscillates with time under continuous illumination. The oscillatory behavior is found to vary with changing QD concentration, solvent viscosity, volume fraction of irradiated region, and irradiation intensity. On the basis of the Gray-Scott model [Chemical Oscillation and Instabilities: Non-linear Chemical Kinetics (Clarendon, Oxford, 1994); J. Phys. Chem. 89, 22 (1985); Chem. Eng. Sci. 42, 307 (1987)], and its comparison with the experimental results, it is revealed that the following processes are important for PL oscillation: (1) mass transfer of QDs between the illuminated and dark regions, (2) autocatalytic formation of vacant sites on QD surfaces via photodesorption of ligand molecules, and (3) passivation of vacant sites via photoadsorption of water molecules.

Photoinduced fluorescence intensity oscillation in a reaction-diffusion cell containing a colloidal quantum dot dispersion.

PubMed

Komoto, Atsushi; Maenosono, Shinya

2006-09-21

The nonlinear spontaneous oscillation of photoluminescence (PL) intensity in an ensemble of semiconductor quantum dots (QDs), which differs from the fluorescence intermittency of a single QD, is investigated. The PL intensity in a QD dispersion slowly oscillates with time under continuous illumination. The oscillatory behavior is found to vary with changing QD concentration, solvent viscosity, volume fraction of irradiated region, and irradiation intensity. On the basis of the Gray-Scott model [Chemical Oscillation and Instabilities: Non-linear Chemical Kinetics (Clarendon, Oxford, 1994); J. Phys. Chem. 89, 22 (1985); Chem. Eng. Sci. 42, 307 (1987)], and its comparison with the experimental results, it is revealed that the following processes are important for PL oscillation: (1) mass transfer of QDs between the illuminated and dark regions, (2) autocatalytic formation of vacant sites on QD surfaces via photodesorption of ligand molecules, and (3) passivation of vacant sites via photoadsorption of water molecules.

Quantum beats in conductance oscillations in graphene-based asymmetric double velocity wells and electrostatic wells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Lei; Department of Medical Physics, Basic Medical College, Hebei Medical University, Shijiazhuang, Hebei 050017; Li, Yu-Xian

2014-01-14

The transport properties in graphene-based asymmetric double velocity well (Fermi velocity inside the well less than that outside the well) and electrostatic well structures are investigated using the transfer matrix method. The results show that quantum beats occur in the oscillations of the conductance for asymmetric double velocity wells. The beating effect can also be found in asymmetric double electrostatic wells, but only if the widths of the two wells are different. The beat frequency for the asymmetric double well is exactly equal to the frequency difference between the oscillation rates in two isolated single wells with the same structuresmore » as the individual wells in the double well structure. A qualitative interpretation is proposed based on the fact that the resonant levels depend upon the sizes of the quantum wells. The beating behavior can provide a new way to identify the symmetry of double well structures.« less

The Dirac-Moshinsky oscillator coupled to an external field and its connection to quantum optics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Torres, Juan Mauricio; Sadurni, Emerson; Seligman, Thomas H.

2010-12-23

The Dirac-Moshinsky oscillator is an elegant example of an exactly solvable quantum relativistic model that under certain circumstances can be mapped onto the Jaynes-Cummings model in quantum optics. In this work we show, how to do this in detail. Then we extend it by considering its coupling with an external (isospin) field and find the conditions that maintain solvability. We use this extended system to explore entanglement in relativistic systems and then identify its quantum optical analog: two different atoms interacting with an electromagnetic mode. We show different aspects of entanglement which gain relevance in this last system, which canmore » be used to emulate the former.« less

Surface plasmon quantum cascade lasers as terahertz local oscillators.

PubMed

Hajenius, M; Khosropanah, P; Hovenier, J N; Gao, J R; Klapwijk, T M; Barbieri, S; Dhillon, S; Filloux, P; Sirtori, C; Ritchie, D A; Beere, H E

2008-02-15

We characterize a heterodyne receiver based on a surface-plasmon waveguide quantum cascade laser (QCL) emitting at 2.84 THz as a local oscillator, and an NbN hot electron bolometer as a mixer. We find that the envelope of the far-field pattern of the QCL is diffraction-limited and superimposed onto interference fringes, which are similar to those found in narrow double-metal waveguide QCLs. Compared to the latter, a more directional beam allows for better coupling of the radiation power to the mixer. We obtain a receiver noise temperature of 1050 K when the mixer is at 2 K, which, to our knowledge, is the highest sensitivity reported at frequencies beyond 2.5 THz.

Quantum state engineering of light with continuous-wave optical parametric oscillators.

PubMed

Morin, Olivier; Liu, Jianli; Huang, Kun; Barbosa, Felippe; Fabre, Claude; Laurat, Julien

2014-05-30

Engineering non-classical states of the electromagnetic field is a central quest for quantum optics(1,2). Beyond their fundamental significance, such states are indeed the resources for implementing various protocols, ranging from enhanced metrology to quantum communication and computing. A variety of devices can be used to generate non-classical states, such as single emitters, light-matter interfaces or non-linear systems(3). We focus here on the use of a continuous-wave optical parametric oscillator(3,4). This system is based on a non-linear χ(2) crystal inserted inside an optical cavity and it is now well-known as a very efficient source of non-classical light, such as single-mode or two-mode squeezed vacuum depending on the crystal phase matching. Squeezed vacuum is a Gaussian state as its quadrature distributions follow a Gaussian statistics. However, it has been shown that number of protocols require non-Gaussian states(5). Generating directly such states is a difficult task and would require strong χ(3) non-linearities. Another procedure, probabilistic but heralded, consists in using a measurement-induced non-linearity via a conditional preparation technique operated on Gaussian states. Here, we detail this generation protocol for two non-Gaussian states, the single-photon state and a superposition of coherent states, using two differently phase-matched parametric oscillators as primary resources. This technique enables achievement of a high fidelity with the targeted state and generation of the state in a well-controlled spatiotemporal mode.

Symmetries of the quantum damped harmonic oscillator

NASA Astrophysics Data System (ADS)

Guerrero, J.; López-Ruiz, F. F.; Aldaya, V.; Cossío, F.

2012-11-01

For the non-conservative Caldirola-Kanai system, describing a quantum damped harmonic oscillator, a couple of constant-of-motion operators generating the Heisenberg-Weyl algebra can be found. The inclusion of the standard time evolution generator (which is not a symmetry) as a symmetry in this algebra, in a unitary manner, requires a non-trivial extension of this basic algebra and hence of the physical system itself. Surprisingly, this extension leads directly to the so-called Bateman dual system, which now includes a new particle acting as an energy reservoir. In addition, the Caldirola-Kanai dissipative system can be retrieved by imposing constraints. The algebra of symmetries of the dual system is presented, as well as a quantization that implies, in particular, a first-order Schrödinger equation. As opposed to other approaches, where it is claimed that the spectrum of the Bateman Hamiltonian is complex and discrete, we obtain that it is real and continuous, with infinite degeneracy in all regimes.

High-power arrays of quantum cascade laser master-oscillator power-amplifiers.

PubMed

Rauter, Patrick; Menzel, Stefan; Goyal, Anish K; Wang, Christine A; Sanchez, Antonio; Turner, George; Capasso, Federico

2013-02-25

We report on multi-wavelength arrays of master-oscillator power-amplifier quantum cascade lasers operating at wavelengths between 9.2 and 9.8 μm. All elements of the high-performance array feature longitudinal (spectral) as well as transverse single-mode emission at peak powers between 2.7 and 10 W at room temperature. The performance of two arrays that are based on different seed-section designs is thoroughly studied and compared. High output power and excellent beam quality render the arrays highly suitable for stand-off spectroscopy applications.

A Back-to-Front Derivation: The Equal Spacing of Quantum Levels Is a Proof of Simple Harmonic Oscillator Physics

ERIC Educational Resources Information Center

Andrews, David L.; Romero, Luciana C. Davila

2009-01-01

The dynamical behaviour of simple harmonic motion can be found in numerous natural phenomena. Within the quantum realm of atomic, molecular and optical systems, two main features are associated with harmonic oscillations: a finite ground-state energy and equally spaced quantum energy levels. Here it is shown that there is in fact a one-to-one…

Quantum oscillations and interference effects in strained n- and p-type modulation doped GaInNAs/GaAs quantum wells

NASA Astrophysics Data System (ADS)

Sarcan, F.; Nutku, F.; Donmez, O.; Kuruoglu, F.; Mutlu, S.; Erol, A.; Yildirim, S.; Arikan, M. C.

2015-08-01

We have performed magnetoresistance measurements on n- and p-type modulation doped GaInNAs/GaAs quantum well (QW) structures in both the weak (B  < 0.08 T) and the high magnetic field (up to 18 T) at 75 mK and 6 K. We observe that the quantum oscillations in {ρxx} and quantum Hall effect (QHE) plateaus in {ρxy} are affected from the presence of the nitrogen in the III-V lattice. The enhancement of N-related scatterings and electron effective mass with increasing nitrogen causes lower electron mobility and higher two-dimensional (2D) electron density, leading to suppressed QHE plateaus in {ρxy} up to 7 T at 6 K. The Shubnikov de Haas (SdH) oscillations develop at lower magnetic fields for higher mobility samples at 6 K and the amplitude of SdH oscillations decreases with increasing nitrogen composition. The well-pronounced QHE plateaus are observed at 75 mK and at higher magnetic fields up to 18 T, for the p-type sample. For n-type samples, the observed anomalies in the characteristic of QHE is attributed the nitrogen-related disorders and overlapping of fluctuating Landau levels. The low magnetic field measurements at 75 mK reveal that the n-type samples exhibit weak antilocalization, whereas weak localization is observed for the p-type sample. The observation of weak antilocalization is an indication of strong electron spin-orbit interactions. The low field magnetoresistance traces are used to extract the spin coherence, phase coherence and elastic scattering times as well Rashba parameters and spin-splitting energy. The calculated Rashba parameters for nitrogen containing samples reveal that the nitrogen composition is a significant parameter to determine the degree of the spin-orbit interactions. Consequently, GaInNAs-based QW structures with various nitrogen compositions can be beneficial to adjust the spin-orbit coupling strength and may be used as a candidate for spintronics applications.

Anharmonic Effect in CH3CH2C(=O)OCH2CH3 Decomposition

NASA Astrophysics Data System (ADS)

Ding, Yang; Song, Liguo; Yao, Li; Xia, Wenwen

2017-12-01

In this paper, using the B3LYP functional and CCSD(T) method with 6-311++G** basis set, the harmonic and anharmonic rate constants in the unimolecular dissociation of ethyl propanoate have been calculated using Rice-Ramsperger-Kassel-Marcus theory. The anharmonic rate constants of the title reaction have also been examined, the comparison shows that, the anharmonic effect especially in the case of high total energies and temperature for channels 3 to 6 is significant, so that the anharmonic effect cannot be neglected for unimolecular dissociation reaction of CH3CH2C(=O)OCH2CH3 both in microcanonical and canonical systems.

Spectra-structure correlations in NIR region: Spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol

NASA Astrophysics Data System (ADS)

Beć, Krzysztof B.; Grabska, Justyna; Czarnecki, Mirosław A.

2018-05-01

We investigated near-infrared (7500-4000 cm-1) spectra of n-hexanol, cyclohexanol and phenol in CCl4 (0.2 M) by using anharmonic quantum calculations. These molecules represent three major kinds of alcohols; linear and cyclic aliphatic, and aromatic ones. Vibrational second-order perturbation theory (VPT2) was employed to calculate the first overtones and binary combination modes and to reproduce the experimental NIR spectra. The level of conformational flexibility of these three alcohols varies from one stable conformer of phenol through four conformers of cyclohexanol to few hundreds conformers in the case of n-hexanol. To take into account the most relevant conformational population of n-hexanol, a systematic conformational search was performed. Accurate reproduction of the experimental NIR spectra was achieved and detailed spectra-structure correlations were obtained for these three alcohols. VPT2 approach provides less reliable description of highly anharmonic modes, i.e. OH stretching. In the present work this limitation was manifested in erroneous results yielded by VPT2 for 2νOH mode of cyclohexanol. To study the anharmonicity of this mode we solved the corresponding time-independent Schrödinger equation based on a dense-grid probing of the relevant vibrational potential. These results allowed for significant improvement of the agreement between the calculated and experimental 2νOH band of cyclohexanol. Various important biomolecules include similar structural units to the systems investigated here. A detailed knowledge on spectral properties of these three types of alcohols is therefore essential for advancing our understanding of NIR spectroscopy of biomolecules.

Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations.

PubMed

Ruggiero, Michael T; Zeitler, J Axel

2016-11-17

Anharmonicity has been shown to be an important piece of the fundamental framework that dictates numerous observable phenomena. In particular, anharmonicity is the driving force of vibrational relaxation processes, mechanisms that are integral to the proper function of numerous chemical processes. However, elucidating its origins has proven difficult due to experimental and theoretical challenges, specifically related to separating the anharmonic contributions from other unrelated effects. While no one technique is particularly suited for providing a complete picture of anharmonicity, by combining multiple complementary methods such a characterization can be made. In this study the role of individual atomic interactions on the anharmonic properties of crystalline purine, the building block of many DNA and RNA nucleobases, is studied by experimental terahertz time-domain spectroscopy and first-principles density functional theory (DFT) and ab initio molecular dynamics simulations (AIMD). In particular, the detailed vibrational information provided by the DFT calculations is used to interpret the atomic origins of anharmonic-related effects as determined by the AIMD calculations, which are in good agreement with the experimental data. The results highlight that anharmonicity is especially pronounced in the intermolecular interactions, particularly along the amine hydrogen bond coordinate, and yields valuable insight into what is similarly observed complex biosystems and crystalline solids.

Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation

NASA Astrophysics Data System (ADS)

Rossi, Mariana; Kapil, Venkat; Ceriotti, Michele

2018-03-01

Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level of control can be achieved for the dynamical properties computed from thermostatted trajectories. We develop quantitative measures of the disturbance induced by the GLE to the Hamiltonian dynamics of a harmonic oscillator, and show that these analytical results accurately predict the behavior of strongly anharmonic systems. We also show that it is possible to correct, to a significant extent, the effects of the GLE term onto the corresponding microcanonical dynamics, which puts on more solid grounds the use of non-equilibrium Langevin dynamics to approximate quantum nuclear effects and could help improve the prediction of dynamical quantities from techniques that use a Langevin term to stabilize dynamics. Finally we address the use of thermostats in the context of approximate path-integral-based models of quantum nuclear dynamics. We demonstrate that a custom-tailored GLE can alleviate some of the artifacts associated with these techniques, improving the quality of results for the modeling of vibrational dynamics of molecules, liquids, and solids.

Nuclear quantum effects on adsorption of H 2 and isotopologues on metal ions

DOE PAGES

Savchenko, Ievgeniia; Gu, Bing; Heine, Thomas; ...

2017-01-03

The nuclear quantum effects on the zero-point energy (ZPE), influencing adsorption of Hmore » $$_2$$ and isotopologues on metal ions, are examined in this study using normal mode analysis of ab initio electronic structure results for complexes with 17 metal cations. To estimate for the anharmonicity, a nuclear wavepacket dynamics on the ground state electronic potential energy surfaces (PES) have been employed for complexes of Li$^+$ and Cu$$^{+2}$$ with H$$_2$$, D$$_2$$, HD. The dynamics analysis shows that incorporation of the PES anharmonicity changes the ZPE by up to 9%. Finally, the lightest metallic nuclei, Li and Be, are found to be the most 'quantum'. The largest selectivity in adsorption is predicted for Cu, Ni and Co ions.« less

Quantum work fluctuations in connection with the Jarzynski equality.

PubMed

Jaramillo, Juan D; Deng, Jiawen; Gong, Jiangbin

2017-10-01

A result of great theoretical and experimental interest, the Jarzynski equality predicts a free energy change ΔF of a system at inverse temperature β from an ensemble average of nonequilibrium exponential work, i.e., 〈e^{-βW}〉=e^{-βΔF}. The number of experimental work values needed to reach a given accuracy of ΔF is determined by the variance of e^{-βW}, denoted var(e^{-βW}). We discover in this work that var(e^{-βW}) in both harmonic and anharmonic Hamiltonian systems can systematically diverge in nonadiabatic work protocols, even when the adiabatic protocols do not suffer from such divergence. This divergence may be regarded as a type of dynamically induced phase transition in work fluctuations. For a quantum harmonic oscillator with time-dependent trapping frequency as a working example, any nonadiabatic work protocol is found to yield a diverging var(e^{-βW}) at sufficiently low temperatures, markedly different from the classical behavior. The divergence of var(e^{-βW}) indicates the too-far-from-equilibrium nature of a nonadiabatic work protocol and makes it compulsory to apply designed control fields to suppress the quantum work fluctuations in order to test the Jarzynski equality.

Quantum-mechanical analysis of low-gain free-electron laser oscillators

NASA Astrophysics Data System (ADS)

Fares, H.; Yamada, M.; Chiadroni, E.; Ferrario, M.

2018-05-01

In the previous classical theory of the low-gain free-electron laser (FEL) oscillators, the electron is described as a point-like particle, a delta function in the spatial space. On the other hand, in the previous quantum treatments, the electron is described as a plane wave with a single momentum state, a delta function in the momentum space. In reality, an electron must have statistical uncertainties in the position and momentum domains. Then, the electron is neither a point-like charge nor a plane wave of a single momentum. In this paper, we rephrase the theory of the low-gain FEL where the interacting electron is represented quantum mechanically by a plane wave with a finite spreading length (i.e., a wave packet). Using the concepts of the transformation of reference frames and the statistical quantum mechanics, an expression for the single-pass radiation gain is derived. The spectral broadening of the radiation is expressed in terms of the spreading length of an electron, the relaxation time characterizing the energy spread of electrons, and the interaction time. We introduce a comparison between our results and those obtained in the already known classical analyses where a good agreement between both results is shown. While the correspondence between our results and the classical results are shown, novel insights into the electron dynamics and the interaction mechanism are presented.

High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons: The Realm of Anharmonicity

NASA Technical Reports Server (NTRS)

Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

2016-01-01

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micrometers CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold ((is) approximately 4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main modes that fall within 0.5% of the experimental frequencies. The implications for the Aromatic Infrared Bands, specifically the 3-m band are discussed.

HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maltseva, Elena; Buma, Wybren Jan; Petrignani, Annemieke

2015-11-20

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computationalmore » program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.« less

Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model

NASA Astrophysics Data System (ADS)

Fujisaki, Hiroshi; Yagi, Kiyoshi; Kikuchi, Hiroto; Takami, Toshiya; Stock, Gerhard

2017-01-01

Performing comprehensive quantum-chemical calculations, a vibrational Hamiltonian of acetylbenzonitrile is constructed, on the basis of which a quantum-mechanical "tier model" is developed that describes the vibrational dynamics following excitation of the CN stretch mode. Taking into account 36 vibrational modes and cubic and quartic anharmonic couplings between up to three different modes, the tier model calculations are shown to qualitatively reproduce the main findings of the experiments of Rubtsov and coworkers (2011), including the energy relaxation of the initially excited CN mode and the structure-dependent vibrational transport. Moreover, the calculations suggest that the experimentally measured cross-peak among the CN and CO modes does not correspond to direct excitation of the CO normal mode but rather reflects excited low-frequency vibrations that anharmonically couple to the CO mode. Complementary quasiclassical trajectory calculations are found to be in good overall agreement with the quantum calculations.

Hole Fermi surface in Bi2Se3 probed by quantum oscillations

NASA Astrophysics Data System (ADS)

Piot, B. A.; Desrat, W.; Maude, D. K.; Orlita, M.; Potemski, M.; Martinez, G.; Hor, Y. S.

2016-04-01

Transport and torque magnetometry measurements are performed at high magnetic fields and low temperatures in a series of p-type (Ca-doped) Bi2Se3 crystals. The angular dependence of the Shubnikov-de Haas and de Haas-van Alphen quantum oscillations enables us to determine the Fermi surface of the bulk valence band states as a function of the carrier density. At low density, the angular dependence exhibits a downturn in the oscillations frequency between 0∘ and 90∘, reflecting a bag-shaped hole Fermi surface. The detection of a single frequency for all tilt angles rules out the existence of a Fermi surface with different extremal cross sections down to 24 meV. There is therefore no signature of a camelback in the valence band of our bulk samples, in accordance with the direct band gap predicted by G W calculations.

Phonon anharmonicity and negative thermal expansion in SnSe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.

In this paper, the anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy,more » in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. Finally, the origin of the anharmonic phonon thermodynamics is linked to the electronic structure.« less

Phonon anharmonicity and negative thermal expansion in SnSe

DOE PAGES

Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; ...

2016-08-09

In this paper, the anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy,more » in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. Finally, the origin of the anharmonic phonon thermodynamics is linked to the electronic structure.« less

Generating the Local Oscillator "Locally" in Continuous-Variable Quantum Key Distribution Based on Coherent Detection

NASA Astrophysics Data System (ADS)

Qi, Bing; Lougovski, Pavel; Pooser, Raphael; Grice, Warren; Bobrek, Miljko

2015-10-01

Continuous-variable quantum key distribution (CV-QKD) protocols based on coherent detection have been studied extensively in both theory and experiment. In all the existing implementations of CV-QKD, both the quantum signal and the local oscillator (LO) are generated from the same laser and propagate through the insecure quantum channel. This arrangement may open security loopholes and limit the potential applications of CV-QKD. In this paper, we propose and demonstrate a pilot-aided feedforward data recovery scheme that enables reliable coherent detection using a "locally" generated LO. Using two independent commercial laser sources and a spool of 25-km optical fiber, we construct a coherent communication system. The variance of the phase noise introduced by the proposed scheme is measured to be 0.04 (rad2 ), which is small enough to enable secure key distribution. This technology also opens the door for other quantum communication protocols, such as the recently proposed measurement-device-independent CV-QKD, where independent light sources are employed by different users.

Nonperturbative Quantum Physics from Low-Order Perturbation Theory.

PubMed

Mera, Héctor; Pedersen, Thomas G; Nikolić, Branislav K

2015-10-02

The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built-in singularity structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel consistent and dramatically outperform widely used Padé and Borel-Padé approaches, even for rather large values of the coupling constant.

Quantized Rabi oscillations and circular dichroism in quantum Hall systems

NASA Astrophysics Data System (ADS)

Tran, D. T.; Cooper, N. R.; Goldman, N.

2018-06-01

The dissipative response of a quantum system upon periodic driving can be exploited as a probe of its topological properties. Here we explore the implications of such phenomena in two-dimensional gases subjected to a uniform magnetic field. It is shown that a filled Landau level exhibits a quantized circular dichroism, which can be traced back to its underlying nontrivial topology. Based on selection rules, we find that this quantized effect can be suitably described in terms of Rabi oscillations, whose frequencies satisfy simple quantization laws. We discuss how quantized dissipative responses can be probed locally, both in the bulk and at the boundaries of the system. This work suggests alternative forms of topological probes based on circular dichroism.

Anharmonic, dynamic and functional level effects in far-infrared spectroscopy: Phenol derivatives

NASA Astrophysics Data System (ADS)

Bakker, Daniël J.; Ong, Qin; Dey, Arghya; Mahé, Jérôme; Gaigeot, Marie-Pierre; Rijs, Anouk M.

2017-12-01

The far-infrared (far-IR) spectra of phenol and four ortho-substituted phenol derivatives, including three deuterated analogs, are presented. These spectra, measured using the free electron laser FELIX, are used to compare the performance of Born-Oppenheimer Molecular Dynamics (BOMD) with several commonly used levels of static density functional theory in the far-IR region. The molecules studied here form intramolecular hydrogen bonds of different strengths (except phenol), display diverse degrees of flexibility, and the OH moieties of the molecules provide large amplitude, anharmonic OH torsional modes. Since several of the molecules contain two OH groups, strong anharmonic couplings can also be present. Moreover, the experimental far-IR spectra of phenol and saligenin show overtones and combination bands as proven by the measurements of their deuterated analogs. All these characteristics of the molecules enable us to test the performance of the applied levels of theory on different complicating factors. Briefly summarized, both the strength of the hydrogen bond and molecular rigidity do not significantly influence the agreement between theory and experiment. All applied theoretical methods have difficulties to consistently predict modes that include the anharmonic OH torsional motion, resulting in overestimated intensities and frequencies. Coupling between two OH functional groups provides an additional challenge for theories, as seen for catechol. The various employed theoretical methods are found to complement each other, showing good results for complex harmonic modes in the case of static B3LYP-D3, while improved results are observed for anharmonic modes, including the OH torsional modes and their couplings, in the case of BOMD. Additionally, BOMD calculates the relative intensities better than the other theories. VPT2 reproduces weak anharmonic modes well, but it overestimates shifts and intensities for strong anharmonic modes.

On the classical and quantum integrability of systems of resonant oscillators

NASA Astrophysics Data System (ADS)

Marino, Massimo

2017-01-01

We study in this paper systems of harmonic oscillators with resonant frequencies. For these systems we present general procedures for the construction of sets of functionally independent constants of motion, which can be used for the definition of generalized actionangle variables, in accordance with the general description of degenerate integrable systems which was presented by Nekhoroshev in a seminal paper in 1972. We then apply to these classical integrable systems the procedure of quantization which has been proposed to the author by Nekhoroshev during his last years of activity at Milan University. This procedure is based on the construction of linear operators by means of the symmetrization of the classical constants of motion mentioned above. For 3 oscillators with resonance 1: 1: 2, by using a computer program we have discovered an exceptional integrable system, which cannot be obtained with the standard methods based on the obvious symmetries of the Hamiltonian function. In this exceptional case, quantum integrability can be realized only by means of a modification of the symmetrization procedure.

Spectra-structure correlations in NIR region: Spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol.

PubMed

Beć, Krzysztof B; Grabska, Justyna; Czarnecki, Mirosław A

2018-05-15

We investigated near-infrared (7500-4000 cm -1 ) spectra of n-hexanol, cyclohexanol and phenol in CCl 4 (0.2 M) by using anharmonic quantum calculations. These molecules represent three major kinds of alcohols; linear and cyclic aliphatic, and aromatic ones. Vibrational second-order perturbation theory (VPT2) was employed to calculate the first overtones and binary combination modes and to reproduce the experimental NIR spectra. The level of conformational flexibility of these three alcohols varies from one stable conformer of phenol through four conformers of cyclohexanol to few hundreds conformers in the case of n-hexanol. To take into account the most relevant conformational population of n-hexanol, a systematic conformational search was performed. Accurate reproduction of the experimental NIR spectra was achieved and detailed spectra-structure correlations were obtained for these three alcohols. VPT2 approach provides less reliable description of highly anharmonic modes, i.e. OH stretching. In the present work this limitation was manifested in erroneous results yielded by VPT2 for 2νOH mode of cyclohexanol. To study the anharmonicity of this mode we solved the corresponding time-independent Schrödinger equation based on a dense-grid probing of the relevant vibrational potential. These results allowed for significant improvement of the agreement between the calculated and experimental 2νOH band of cyclohexanol. Various important biomolecules include similar structural units to the systems investigated here. A detailed knowledge on spectral properties of these three types of alcohols is therefore essential for advancing our understanding of NIR spectroscopy of biomolecules. Copyright © 2018 Elsevier B.V. All rights reserved.

Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

NASA Astrophysics Data System (ADS)

Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

2018-01-01

Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

X-ray free-electron laser oscillator with nuclear-resonant cavity stabilization and quantum-optical applications

DOE PAGES

Adams, Bernhard W.; Kim, Kwang -Je

2016-08-09

Here, x-ray free-electron-laser oscillators with nuclear-resonant cavity stabilization (NRS-XFELO) hold the promise for providing x-rays with unprecedented coherence properties that will enable interesting quantum-optical and metrological applications. Among these are atom optics with x-ray-based optical elements providing high momentum transfer, or a frequency standard far surpassing the best state-of the-art atomic clocks.

Stochastic solution to quantum dynamics

NASA Technical Reports Server (NTRS)

John, Sarah; Wilson, John W.

1994-01-01

The quantum Liouville equation in the Wigner representation is solved numerically by using Monte Carlo methods. For incremental time steps, the propagation is implemented as a classical evolution in phase space modified by a quantum correction. The correction, which is a momentum jump function, is simulated in the quasi-classical approximation via a stochastic process. The technique, which is developed and validated in two- and three- dimensional momentum space, extends an earlier one-dimensional work. Also, by developing a new algorithm, the application to bound state motion in an anharmonic quartic potential shows better agreement with exact solutions in two-dimensional phase space.

Aharonov-Bohm oscillations, quantum decoherence and amplitude modulation in mesoscopic InGaAs/InAlAs rings.

PubMed

Ren, S L; Heremans, J J; Gaspe, C K; Vijeyaragunathan, S; Mishima, T D; Santos, M B

2013-10-30

Low-temperature Aharonov-Bohm oscillations in the magnetoresistance of mesoscopic interferometric rings patterned on an InGaAs/InAlAs heterostructure are investigated for their dependence on excitation current and temperature. The rings have an average radius of 650 nm, and a lithographic arm width of 300 nm, yielding pronounced interference oscillations over a wide range of magnetic fields. Apart from a current and temperature dependence, the oscillation amplitude also shows a quasi-periodic modulation with applied magnetic field. The phase coherence length is extracted by analysis of the fundamental and higher Fourier components of the oscillations, and by direct analysis of the amplitude and its dependence on parameters. It is concluded that the Thouless energy forms the measure of excitation energies for quantum decoherence. The amplitude modulation finds an explanation in the effect of the magnetic flux threading the finite width of the interferometer arms.

Including Memory Friction in Single- and Two-State Quantum Dynamics Simulations.

PubMed

Brown, Paul A; Messina, Michael

2016-03-03

We present a simple computational algorithm that allows for the inclusion of memory friction in a quantum dynamics simulation of a small, quantum, primary system coupled to many atoms in the surroundings. We show how including a memory friction operator, F̂, in the primary quantum system's Hamiltonian operator builds memory friction into the dynamics of the primary quantum system. We show that, in the harmonic, semi-classical limit, this friction operator causes the classical phase-space centers of a wavepacket to evolve exactly as if it were a classical particle experiencing memory friction. We also show that this friction operator can be used to include memory friction in the quantum dynamics of an anharmonic primary system. We then generalize the algorithm so that it can be used to treat a primary quantum system that is evolving, non-adiabatically on two coupled potential energy surfaces, i.e., a model that can be used to model H atom transfer, for example. We demonstrate this approach's computational ease and flexibility by showing numerical results for both harmonic and anharmonic primary quantum systems in the single surface case. Finally, we present numerical results for a model of non-adiabatic H atom transfer between a reactant and product state that includes memory friction on one or both of the non-adiabatic potential energy surfaces and uncover some interesting dynamical effects of non-memory friction on the H atom transfer process.

Bizarre behavior of heat capacity in crystals due to interplay between two types of anharmonicities.

PubMed

Yurchenko, Stanislav O; Komarov, Kirill A; Kryuchkov, Nikita P; Zaytsev, Kirill I; Brazhkin, Vadim V

2018-04-07

The heat capacity of classical crystals is determined by the Dulong-Petit value C V ≃ D (where D is the spatial dimension) for softly interacting particles and has the gas-like value C V ≃ D/2 in the hard-sphere limit, while deviations are governed by the effects of anharmonicity. Soft- and hard-sphere interactions, which are associated with the enthalpy and entropy of crystals, are specifically anharmonic owing to violation of a linear relation between particle displacements and corresponding restoring forces. Here, we show that the interplay between these two types of anharmonicities unexpectedly induces two possible types of heat capacity anomalies. We studied thermodynamics, pair correlations, and collective excitations in 2D and 3D crystals of particles with a limited range of soft repulsions to prove the effect of interplay between the enthalpy and entropy types of anharmonicities. The observed anomalies are triggered by the density of the crystal, changing the interaction regime in the zero-temperature limit, and can provide about 10% excess of the heat capacity above the Dulong-Petit value. Our results facilitate understanding effects of complex anharmonicity in molecular and complex crystals and demonstrate the possibility of new effects due to the interplay between different types of anharmonicities.

Bizarre behavior of heat capacity in crystals due to interplay between two types of anharmonicities

NASA Astrophysics Data System (ADS)

Yurchenko, Stanislav O.; Komarov, Kirill A.; Kryuchkov, Nikita P.; Zaytsev, Kirill I.; Brazhkin, Vadim V.

2018-04-01

The heat capacity of classical crystals is determined by the Dulong-Petit value CV ≃ D (where D is the spatial dimension) for softly interacting particles and has the gas-like value CV ≃ D/2 in the hard-sphere limit, while deviations are governed by the effects of anharmonicity. Soft- and hard-sphere interactions, which are associated with the enthalpy and entropy of crystals, are specifically anharmonic owing to violation of a linear relation between particle displacements and corresponding restoring forces. Here, we show that the interplay between these two types of anharmonicities unexpectedly induces two possible types of heat capacity anomalies. We studied thermodynamics, pair correlations, and collective excitations in 2D and 3D crystals of particles with a limited range of soft repulsions to prove the effect of interplay between the enthalpy and entropy types of anharmonicities. The observed anomalies are triggered by the density of the crystal, changing the interaction regime in the zero-temperature limit, and can provide about 10% excess of the heat capacity above the Dulong-Petit value. Our results facilitate understanding effects of complex anharmonicity in molecular and complex crystals and demonstrate the possibility of new effects due to the interplay between different types of anharmonicities.

The Transition from Hydrogen Bonding to Ionization in (HCI)n(NH3)n and (HCI)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny; Janda, Kenneth C.; Kwak, Dochan (Technical Monitor)

2001-01-01

Anharmonic vibrational frequencies and intensities are calculated for 1:1 and 2:2 (HCl)(sub n)(NH3)(sub n) and (HCl)(sub n)(H2O)(sub n) complexes, employing the correlation-corrected vibrational self-consistent field method with ab initio potential surfaces at the MP2/TZP computational level. In this method, the anharmonic coupling between all vibrational modes is included, which is found to be important for the systems studied. For the 4:4 (HCl)(sub n)(H2O)(sub n) complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Just as the (HCl)(sub n)(NH3)(sub n) structure switches from hydrogen-bonded to ionic for n=2, the (HCl)(sub n)(H2O)(sub n) switches to ionic structure for n=4. For (HCl)2(H2O)2, the lowest energy structure corresponds to the hydrogen-bonded form. However, configurations of the ionic form are separated from this minimum by a barrier of less than an O-H stretching quantum. This suggests the possibility of experiments on ionization dynamics using infrared excitation of the hydrogen-bonded form. The strong cooperative effects on the hydrogen bonding, and concomitant transition to ionic bonding, makes an accurate estimate of the large anharmonicity crucial for understanding the infrared spectra of these systems. The anharmonicity is typically of the order of several hundred wave numbers for the proton stretching motions involved in hydrogen or ionic bonding, and can also be quite large for the intramolecular modes. In addition, the large cooperative effects in the 2:2 and higher order (HCl(sub n)(H2O)(sub n) complexes may have interesting implications for solvation of hydrogen halides at ice surfaces.

Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

NASA Astrophysics Data System (ADS)

Lindoy, Lachlan P.; Kolmann, Stephen J.; D'Arcy, Jordan H.; Crittenden, Deborah L.; Jordan, Meredith J. T.

2015-11-01

Finite temperature quantum and anharmonic effects are studied in H2-Li+-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H2. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H2 molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔUads, and enthalpy, ΔHads, for H2 adsorption onto Li+-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H2-Li+-benzene are the "helicopter" and "ferris wheel" H2 rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔUads and ΔHads are -13.3 ± 0.1 and -14.5 ± 0.1 kJ mol-1, respectively.

Quantum Statistics of the Toda Oscillator in the Wigner Function Formalism

NASA Astrophysics Data System (ADS)

Vojta, Günter; Vojta, Matthias

Classical and quantum mechanical Toda systems (Toda molecules, Toda lattices, Toda quantum fields) recently found growing interest as nonlinear systems showing solitons and chaos. In this paper the statistical thermodynamics of a system of quantum mechanical Toda oscillators characterized by a potential energy V(q) = Vo cos h q is treated within the Wigner function formalism (phase space formalism of quantum statistics). The partition function is given as a Wigner- Kirkwood series expansion in terms of powers of h2 (semiclassical expansion). The partition function and all thermodynamic functions are written, with considerable exactness, as simple closed expressions containing only the modified Hankel functions Ko and K1 of the purely imaginary argument i with = Vo/kT.Translated AbstractQuantenstatistik des Toda-Oszillators im Formalismus der Wigner-FunktionKlassische und quantenmechanische Toda-Systeme (Toda-Moleküle, Toda-Gitter, Toda-Quantenfelder) haben als nichtlineare Systeme mit Solitonen und Chaos in jüngster Zeit zunehmend an Interesse gewonnen. Wir untersuchen die statistische Thermodynamik eines Systems quantenmechanischer Toda-Oszillatoren, die durch eine potentielle Energie der Form V(q) = Vo cos h q charakterisiert sind, im Formalismus der Wigner-Funktion (Phasenraum-Formalismus der Quantenstatistik). Die Zustandssumme wird als Wigner-Kirkwood-Reihe nach Potenzen von h2 (semiklassische Entwicklung) dargestellt, und aus ihr werden die thermodynamischen Funktionen berechnet. Sämtliche Funktionen sind durch einfache geschlossene Formeln allein mit den modifizierten Hankel-Funktionen Ko und K1 des rein imaginären Arguments i mit = Vo/kT mit großer Genauigkeit darzustellen.

Modeling stock return distributions with a quantum harmonic oscillator

NASA Astrophysics Data System (ADS)

Ahn, K.; Choi, M. Y.; Dai, B.; Sohn, S.; Yang, B.

2017-11-01

We propose a quantum harmonic oscillator as a model for the market force which draws a stock return from short-run fluctuations to the long-run equilibrium. The stochastic equation governing our model is transformed into a Schrödinger equation, the solution of which features “quantized” eigenfunctions. Consequently, stock returns follow a mixed χ distribution, which describes Gaussian and non-Gaussian features. Analyzing the Financial Times Stock Exchange (FTSE) All Share Index, we demonstrate that our model outperforms traditional stochastic process models, e.g., the geometric Brownian motion and the Heston model, with smaller fitting errors and better goodness-of-fit statistics. In addition, making use of analogy, we provide an economic rationale of the physics concepts such as the eigenstate, eigenenergy, and angular frequency, which sheds light on the relationship between finance and econophysics literature.

Shocks, Rarefaction Waves, and Current Fluctuations for Anharmonic Chains

DOE PAGES

Mendl, Christian B.; Spohn, Herbert

2016-10-04

The nonequilibrium dynamics of anharmonic chains is studied by imposing an initial domain-wall state, in which the two half lattices are prepared in equilibrium with distinct parameters. Here, we analyse the Riemann problem for the corresponding Euler equations and, in specific cases, compare with molecular dynamics. Additionally, the fluctuations of time-integrated currents are investigated. In analogy with the KPZ equation, their typical fluctuations should be of size t 1/3 and have a Tracy–Widom GUE distributed amplitude. The proper extension to anharmonic chains is explained and tested through molecular dynamics. Our results are calibrated against the stochastic LeRoux lattice gas.

Determinism Beneath Composite Quantum Systems

NASA Astrophysics Data System (ADS)

Blasone, Massimo; Vitiello, Giuseppe; Jizba, Petr; Scardigli, Fabio

This paper aims at the development of 't Hooft's quantization proposal to describe composite quantum mechanical systems. In particular, we show how 't Hooft's method can be utilized to obtain from two classical Bateman oscillators a composite quantum system corresponding to a quantum isotonic oscillator. For a suitable range of parameters, the composite system can be also interpreted as a particle in an effective magnetic field interacting through a spin-orbital interaction term. In the limit of a large separation from the interaction region we can identify the irreducible subsystems with two independent quantum oscillators.

Generating the local oscillator "locally" in continuous-variable quantum key distribution based on coherent detection

DOE PAGES

Qi, Bing; Lougovski, Pavel; Pooser, Raphael C.; ...

2015-10-21

Continuous-variable quantum key distribution (CV-QKD) protocols based on coherent detection have been studied extensively in both theory and experiment. In all the existing implementations of CV-QKD, both the quantum signal and the local oscillator (LO) are generated from the same laser and propagate through the insecure quantum channel. This arrangement may open security loopholes and limit the potential applications of CV-QKD. In our paper, we propose and demonstrate a pilot-aided feedforward data recovery scheme that enables reliable coherent detection using a “locally” generated LO. Using two independent commercial laser sources and a spool of 25-km optical fiber, we construct amore » coherent communication system. The variance of the phase noise introduced by the proposed scheme is measured to be 0.04 (rad 2), which is small enough to enable secure key distribution. This technology opens the door for other quantum communication protocols, such as the recently proposed measurement-device-independent CV-QKD, where independent light sources are employed by different users.« less

Trapped Ion Oscillation Frequencies as Sensors for Spectroscopy

PubMed Central

Vogel, Manuel; Quint, Wolfgang; Nörtershäuser, Wilfried

2010-01-01

The oscillation frequencies of charged particles in a Penning trap can serve as sensors for spectroscopy when additional field components are introduced to the magnetic and electric fields used for confinement. The presence of so-called “magnetic bottles” and specific electric anharmonicities creates calculable energy-dependences of the oscillation frequencies in the radiofrequency domain which may be used to detect the absorption or emission of photons both in the microwave and optical frequency domains. The precise electronic measurement of these oscillation frequencies therefore represents an optical sensor for spectroscopy. We discuss possible applications for precision laser and microwave spectroscopy and their role in the determination of magnetic moments and excited state life-times. Also, the trap-assisted measurement of radiative nuclear de-excitations in the X-ray domain is discussed. This way, the different applications range over more than 12 orders of magnitude in the detectable photon energies, from below μeV in the microwave domain to beyond MeV in the X-ray domain. PMID:22294921

Neutrino Oscillations in Dense Matter

NASA Astrophysics Data System (ADS)

Lobanov, A. E.

2017-03-01

A modification of the electroweak theory, where the fermions with the same electroweak quantum numbers are combined in multiplets and are treated as different quantum states of a single particle, is proposed. In this model, mixing and oscillations of particles arise as a direct consequence of the general principles of quantum field theory. The developed approach enables one to calculate the probabilities of the processes taking place in the detector at long distances from the particle source. Calculations of higher-order processes, including computation of the contributions due to radiative corrections, can be performed in the framework of the perturbation theory using the regular diagram technique. As a result, the analog to the Dirac-Schwinger equation of quantum electrodynamics describing neutrino oscillations and its spin rotation in dense matter can be obtained.

Studies of quantum dots in the quantum Hall regime

NASA Astrophysics Data System (ADS)

Goldmann, Eyal

We present two studies of quantum dots in the quantum Hall regime. In the first study, presented in Chapter 3, we investigate the edge reconstruction phenomenon believed to occur when the quantum dot filling fraction is n≲1 . Our approach involves the examination of large dots (≤40 electrons) using a partial diagonalization technique in which the occupancies of the deep interior orbitals are frozen. To interpret the results of this calculation, we evaluate the overlap between the diagonalized ground state and a set of trial wavefunctions which we call projected necklace (PN) states. A PN state is simply the angular momentum projection of a maximum density droplet surrounded by a ring of localized electrons. Our calculations reveal that PN states have up to 99% overlap with the diagonalized ground states, and are lower in energy than the states identified in Chamon and Wen's study of the edge reconstruction. In the second study, presented in Chapter 4, we investigate quantum dots in the fractional quantum Hall regime using a Hartree formulation of composite fermion theory. We find that under appropriate conditions, the chemical potential of the dots oscillates periodically with B due to the transfer of composite fermions between quasi-Landau bands. This effect is analogous the addition spectrum oscillations which occur in quantum dots in the integer quantum Hall regime. Period f0 oscillations are found in sharply confined dots with filling factors nu = 2/5 and nu = 2/3. Period 3 f0 oscillations are found in a parabolically confined nu = 2/5 dot. More generally, we argue that the oscillation period of dots with band pinning should vary continuously with B, whereas the period of dots without band pinning is f0 .

Quantum and electromagnetic propagation with the conjugate symmetric Lanczos method.

PubMed

Acevedo, Ramiro; Lombardini, Richard; Turner, Matthew A; Kinsey, James L; Johnson, Bruce R

2008-02-14

The conjugate symmetric Lanczos (CSL) method is introduced for the solution of the time-dependent Schrodinger equation. This remarkably simple and efficient time-domain algorithm is a low-order polynomial expansion of the quantum propagator for time-independent Hamiltonians and derives from the time-reversal symmetry of the Schrodinger equation. The CSL algorithm gives forward solutions by simply complex conjugating backward polynomial expansion coefficients. Interestingly, the expansion coefficients are the same for each uniform time step, a fact that is only spoiled by basis incompleteness and finite precision. This is true for the Krylov basis and, with further investigation, is also found to be true for the Lanczos basis, important for efficient orthogonal projection-based algorithms. The CSL method errors roughly track those of the short iterative Lanczos method while requiring fewer matrix-vector products than the Chebyshev method. With the CSL method, only a few vectors need to be stored at a time, there is no need to estimate the Hamiltonian spectral range, and only matrix-vector and vector-vector products are required. Applications using localized wavelet bases are made to harmonic oscillator and anharmonic Morse oscillator systems as well as electrodynamic pulse propagation using the Hamiltonian form of Maxwell's equations. For gold with a Drude dielectric function, the latter is non-Hermitian, requiring consideration of corrections to the CSL algorithm.

Anharmonic Vibrational Spectroscopy on Metal Transition Complexes

NASA Astrophysics Data System (ADS)

Latouche, Camille; Bloino, Julien; Barone, Vincenzo

2014-06-01

Advances in hardware performance and the availability of efficient and reliable computational models have made possible the application of computational spectroscopy to ever larger molecular systems. The systematic interpretation of experimental data and the full characterization of complex molecules can then be facilitated. Focusing on vibrational spectroscopy, several approaches have been proposed to simulate spectra beyond the double harmonic approximation, so that more details become available. However, a routine use of such tools requires the preliminary definition of a valid protocol with the most appropriate combination of electronic structure and nuclear calculation models. Several benchmark of anharmonic calculations frequency have been realized on organic molecules. Nevertheless, benchmarks of organometallics or inorganic metal complexes at this level are strongly lacking despite the interest of these systems due to their strong emission and vibrational properties. Herein we report the benchmark study realized with anharmonic calculations on simple metal complexes, along with some pilot applications on systems of direct technological or biological interest.

Quantum Oscillations Can Prevent the Big Bang Singularity in an Einstein-Dirac Cosmology

NASA Astrophysics Data System (ADS)

Finster, Felix; Hainzl, Christian

2010-01-01

We consider a spatially homogeneous and isotropic system of Dirac particles coupled to classical gravity. The dust and radiation dominated closed Friedmann-Robertson-Walker space-times are recovered as limiting cases. We find a mechanism where quantum oscillations of the Dirac wave functions can prevent the formation of the big bang or big crunch singularity. Thus before the big crunch, the collapse of the universe is stopped by quantum effects and reversed to an expansion, so that the universe opens up entering a new era of classical behavior. Numerical examples of such space-times are given, and the dependence on various parameters is discussed. Generically, one has a collapse after a finite number of cycles. By fine-tuning the parameters we construct an example of a space-time which satisfies the dominant energy condition and is time-periodic, thus running through an infinite number of contraction and expansion cycles.

Pulsed quantum optomechanics

PubMed Central

Vanner, M. R.; Pikovski, I.; Cole, G. D.; Kim, M. S.; Brukner, Č.; Hammerer, K.; Milburn, G. J.; Aspelmeyer, M.

2011-01-01

Studying mechanical resonators via radiation pressure offers a rich avenue for the exploration of quantum mechanical behavior in a macroscopic regime. However, quantum state preparation and especially quantum state reconstruction of mechanical oscillators remains a significant challenge. Here we propose a scheme to realize quantum state tomography, squeezing, and state purification of a mechanical resonator using short optical pulses. The scheme presented allows observation of mechanical quantum features despite preparation from a thermal state and is shown to be experimentally feasible using optical microcavities. Our framework thus provides a promising means to explore the quantum nature of massive mechanical oscillators and can be applied to other systems such as trapped ions. PMID:21900608

Accelerated and Airy-Bloch oscillations

NASA Astrophysics Data System (ADS)

Longhi, Stefano

2016-09-01

A quantum particle subjected to a constant force undergoes an accelerated motion following a parabolic path, which differs from the classical motion just because of wave packet spreading (quantum diffusion). However, when a periodic potential is added (such as in a crystal) the particle undergoes Bragg scattering and an oscillatory (rather than accelerated) motion is found, corresponding to the famous Bloch oscillations (BOs). Here, we introduce an exactly-solvable quantum Hamiltonian model, corresponding to a generalized Wannier-Stark Hamiltonian Ĥ, in which a quantum particle shows an intermediate dynamical behavior, namely an oscillatory motion superimposed to an accelerated one. Such a novel dynamical behavior is referred to as accelerated BOs. Analytical expressions of the spectrum, improper eigenfunctions and propagator of the generalized Wannier-Stark Hamiltonian Ĥ are derived. Finally, it is shown that acceleration and quantum diffusion in the generalized Wannier-Stark Hamiltonian are prevented for Airy wave packets, which undergo a periodic breathing dynamics that can be referred to as Airy-Bloch oscillations.

Self-consistent projection operator theory in nonlinear quantum optical systems: A case study on degenerate optical parametric oscillators

NASA Astrophysics Data System (ADS)

Degenfeld-Schonburg, Peter; Navarrete-Benlloch, Carlos; Hartmann, Michael J.

2015-05-01

Nonlinear quantum optical systems are of paramount relevance for modern quantum technologies, as well as for the study of dissipative phase transitions. Their nonlinear nature makes their theoretical study very challenging and hence they have always served as great motivation to develop new techniques for the analysis of open quantum systems. We apply the recently developed self-consistent projection operator theory to the degenerate optical parametric oscillator to exemplify its general applicability to quantum optical systems. We show that this theory provides an efficient method to calculate the full quantum state of each mode with a high degree of accuracy, even at the critical point. It is equally successful in describing both the stationary limit and the dynamics, including regions of the parameter space where the numerical integration of the full problem is significantly less efficient. We further develop a Gaussian approach consistent with our theory, which yields sensibly better results than the previous Gaussian methods developed for this system, most notably standard linearization techniques.

Quantum optimal control with automatic differentiation using graphics processors

NASA Astrophysics Data System (ADS)

Leung, Nelson; Abdelhafez, Mohamed; Chakram, Srivatsan; Naik, Ravi; Groszkowski, Peter; Koch, Jens; Schuster, David

We implement quantum optimal control based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and incorporate them into the optimization process with ease. We will describe efficient techniques to optimally control weakly anharmonic systems that are commonly encountered in circuit QED, including coupled superconducting transmon qubits and multi-cavity circuit QED systems. These systems allow for a rich variety of control schemes that quantum optimal control is well suited to explore.

Proof of Nishida's Conjecture on Anharmonic Lattices

NASA Astrophysics Data System (ADS)

Rink, Bob

2006-02-01

We prove Nishida's 1971 conjecture stating that almost all low-energetic motions of the anharmonic Fermi-Pasta-Ulam lattice with fixed endpoints are quasi-periodic. The proof is based on the formal computations of Nishida, the KAM theorem, discrete symmetry considerations and an algebraic trick that considerably simplifies earlier results.

Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

PubMed

Sakurai, Atsunori; Tanimura, Yoshitaka

2011-04-28

To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the

Stabilizing oscillating universes against quantum decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mithani, Audrey T.; Vilenkin, Alexander, E-mail: audrey.todhunter@tufts.edu, E-mail: vilenkin@cosmos.phy.tufts.edu

2015-07-01

We investigate the effect of vacuum corrections, due to the trace anomaly and Casimir effect, on the stability of an oscillating universe with respect to decay by tunneling to the singularity. We find that these corrections do not generally stabilize an oscillating universe. However, stability may be achieved for some specially fine-tuned non-vacuum states.

Stabilizing oscillating universes against quantum decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mithani, Audrey T.; Vilenkin, Alexander

We investigate the effect of vacuum corrections, due to the trace anomaly and Casimir effect, on the stability of an oscillating universe with respect to decay by tunneling to the singularity. We find that these corrections do not generally stabilize an oscillating universe. However, stability may be achieved for some specially fine-tuned non-vacuum states.

First-principles analysis of anharmonic nuclear motion and thermal transport in thermoelectric materials

NASA Astrophysics Data System (ADS)

Tadano, Terumasa; Tsuneyuki, Shinji

2015-12-01

We show a first-principles approach for analyzing anharmonic properties of lattice vibrations in solids. We firstly extract harmonic and anharmonic force constants from accurate first-principles calculations based on the density functional theory. Using the many-body perturbation theory of phonons, we then estimate the phonon scattering probability due to anharmonic phonon-phonon interactions. We show the validity of the approach by computing the lattice thermal conductivity of Si, a typical covalent semiconductor, and selected thermoelectric materials PbTe and Bi2Te3 based on the Boltzmann transport equation. We also show that the phonon lifetime and the lattice thermal conductivity of the high-temperature phase of SrTiO3 can be estimated by employing the perturbation theory on top of the solution of the self-consistent phonon equation.

A paradox on quantum field theory of neutrino mixing and oscillations

NASA Astrophysics Data System (ADS)

Li, Yu-Feng; Liu, Qiu-Yu

2006-10-01

Neutrino mixing and oscillations in quantum field theory framework had been studied before, which shew that the Fock space of flavor states is unitarily inequivalent to that of mass states (inequivalent vacua model). A paradox emerges when we use these neutrino weak states to calculate the amplitude of W boson decay. The branching ratio of W+→e++νμ to W+→e++νe is approximately at the order of O(mi2/k2). This existence of flavor changing currents contradicts to the Hamiltonian we started from, and the usual knowledge about weak processes. Also, negative energy neutrinos (or violating the principle of energy conservation) appear in this framework. We discuss possible reasons for the appearance of this paradox.

Anharmonic vibrational spectra and mode-mode couplings analysis of 2-aminopyridine

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Bhat, Sheeraz Ahmad; Ahmad, Shabbir

2018-01-01

Vibrational spectra of 2-aminopyridine (2AP) have been analyzed using the vibrational self-consistence field theory (VSCF), correlated corrected vibrational self-consistence field theory (CC-VSCF) and vibrational perturbation theory (VPT2) at B3LYP/6-311G(d,p) framework. The mode-mode couplings affect the vibrational frequencies and intensities. The coupling integrals between pairs of normal modes have been obtained on the basis of quartic force field (2MR-QFF) approximation. The overtone and combination bands are also assigned in the FTIR spectrum with the help of anharmonic calculation at VPT2 method. A statistical analysis of deviations shows that estimated anharmonic frequencies are closer to the experiment over harmonic approximation. Furthermore, the anharmonic correction has also been carried out for the dimeric structure of 2AP. The fundamental vibration bands have been assigned on the basis of potential energy distribution (PED) and visual look over the animated modes. Other important molecular properties such as frontier molecular orbitals and molecular electrostatics potential mapping have also been analyzed.

Exploiting Non-Markovianity for Quantum Control.

PubMed

Reich, Daniel M; Katz, Nadav; Koch, Christiane P

2015-07-22

Quantum technology, exploiting entanglement and the wave nature of matter, relies on the ability to accurately control quantum systems. Quantum control is often compromised by the interaction of the system with its environment since this causes loss of amplitude and phase. However, when the dynamics of the open quantum system is non-Markovian, amplitude and phase flow not only from the system into the environment but also back. Interaction with the environment is then not necessarily detrimental. We show that the back-flow of amplitude and phase can be exploited to carry out quantum control tasks that could not be realized if the system was isolated. The control is facilitated by a few strongly coupled, sufficiently isolated environmental modes. Our paradigmatic example considers a weakly anharmonic ladder with resonant amplitude control only, restricting realizable operations to SO(N). The coupling to the environment, when harnessed with optimization techniques, allows for full SU(N) controllability.

Distinguishability of stacks in ZnTe/ZnSe quantum dots via spectral analysis of Aharonov-Bohm oscillations

NASA Astrophysics Data System (ADS)

Roy, Bidisha; Ji, Haojie; Dhomkar, Siddharth; Cadieu, Fred J.; Peng, Le; Moug, Richard; Tamargo, Maria C.; Kuskovsky, Igor L.

2013-02-01

A spectral analysis of the Aharonov-Bohm (AB) oscillations in photoluminescence intensity was performed for stacked type-II ZnTe/ZnSe quantum dots (QDs) fabricated within multilayered Zn-Se-Te system with sub-monolayer insertions of Te. Robust AB oscillations allowed for fine probing of distinguishable QDs stacks within the ensemble of QDs. The AB transition magnetic field, B AB , changed from the lower energy side to the higher energy side of the PL spectra revealing the presence of different sets of QDs stacks. The change occurs within the spectral range, where the contributing green and blue bands of the spectra overlapped. "Bundling" in lifetime measurements is seen at transition spectral regions confirming the results.

Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites

DOE PAGES

Maughan, Annalise E.; Ganose, Alex M.; Candia, Andrew M.; ...

2017-11-30

The advantageous performance of hybrid organic-inorganic perovskite halide semiconduc- tors in optoelectronic applications motivates studies of their fundamental crystal-chemistry. In particular, recent studies have sought to understand how dipolar, dynamic, and organic cations, such as methylammonium (CH 3 NH 3 + ) and formamidinium (CH(NH 2 ) 2 + ) affect physical properties such as light absorption and charge transport. Here, to probe the influence of organic- inorganic coupling on charge transport, we have prepared the series of vacancy-ordered double perovskite derivatives, A 2SnI 6, where A = Cs +, CH 3NH 3 +, and CH(NH 2) 2 +. Despitemore » nearly identical cubic structures by powder X-ray diffraction, replacement of Cs + with CH 3NH 3 + or CH(NH 2) 2 + reduces conductivity through a reduction in both carrier concentration and carrier mobility. We attribute the trends in electronic behavior to anharmonic lattice dynamics from the formation of hydrogen bonds that yield coupled organic-inorganic dynamics. This anharmonicity manifests as asymmetry of the inter-octahedral I-I pair correlations in the X-ray pair distribution function of the hybrid compounds, which can be modeled by large atomistic ensembles with random rotations of rigid [SnI 6] octahedral units. The presence of soft, anharmonic lattice dynamics holds implications for electron-phonon interactions, as supported by calculation of electron-phonon coupling strength that indicates the formation of more tightly-bound polarons and reduced electron mobilities with increasing cation size. Finally, by exploiting the relatively decoupled nature of the octahedral units in these defect-ordered perovskite variants, we can interrogate the impact of organic-inorganic coupling and lattice anharmonicity on the charge transport behavior of hybrid perovskite halide semiconductors.« less

Anharmonic phonons and magnons in BiFeO3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delaire, Olivier A; Ma, Jie; Stone, Matthew B

2012-01-01

The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO3 were measured for temperatures 200 < T < 750K , using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO3 closely resembles that of similar Fe perovskites, such as LaFeO3, despite the cycloid modulation in BiFeO3. We do not find any evidence for a spin gap. A strong T-dependence of the phonon DOS was found, with a marked broadening of the whole spectrum, providing evidence of strong anharmonicity. This anharmonicity is corroborated by large amplitude motions of Bi and O ions observed withmore » neutron diffraction. These results highlight the importance of spin-phonon coupling in this material.« less

The Duffin-Kemmer-Petiau oscillator

NASA Technical Reports Server (NTRS)

Nedjadi, Youcef; Barrett, Roger

1995-01-01

In view of current interest in relativistic spin-one systems and the recent work on the Dirac Oscillator, we introduce the Duffin-Kemmer-Petiau (DKP) equation obtained by using an external potential linear in r. Since, in the non-relativistic limit, the spin 1 representation leads to a harmonic oscillator with a spin-orbit coupling of the Thomas form, we call the equation the DKP oscillator. This oscillator is a relativistic generalization of the quantum harmonic oscillator for scalar and vector bosons. We show that it conserves total angular momentum and that it is exactly solvable. We calculate and discuss the eigenspectrum of the DKP oscillator in the spin 1 representation.

Quantum oscillations and nodal pockets from Fermi surface reconstruction in the underdoped cuprates

NASA Astrophysics Data System (ADS)

Harrison, Neil

2012-02-01

Fermiology in the underdoped high Tc cuprates presents us with unique challenges, requiring experimentalists to look deeper into the data than is normally required for clues. Recent measurements of an oscillatory chemical potential affecting the oscillations at high magnetic fields provide a strong indication of a single type of carrier pocket. When considered in conjunction with photoemission and specific heat measurements, a Fermi surface comprised almost entirely of nodal pockets is suggested. The mystery of the Fermi surface is deepened, however, by a near doping-independent Fermi surface cross-sectional area and negative Hall and Seebeck coefficients. We explore ways in which these findings can be reconciled, taking an important hint from the diverging effective mass yielded by quantum oscillations at low dopings. The author wishes to thank Suchitra Sebastian, Moaz Atarawneh, Doug Bonn, Walter Hardy, Ruixing Liang, Charles Mielke and Gilbert Lonzarich who have contributed to this work. The work is supported by the NSF through the NHMFL and by the DOE project ``Science at 100 tesla.''

Determination of anharmonic free energy contributions: Low temperature phases of the Lennard-Jones system

DOE PAGES

Calero, C.; Knorowski, C.; Travesset, A.

2016-03-22

We investigate a general method to calculate the free energy of crystalline solids by considering the harmonic approximation and quasistatically switching the anharmonic contribution. The advantage of this method is that the harmonic approximation provides an already very accurate estimate of the free energy, and therefore the anharmonic term is numerically very small and can be determined to high accuracy. We further show that the anharmonic contribution to the free energy satisfies a number of exact inequalities that place constraints on its magnitude and allows approximate but fast and accurate estimates. The method is implemented into a readily available generalmore » software by combining the code HOODLT (Highly Optimized Object Oriented Dynamic Lattice Theory) for the harmonic part and the molecular dynamics (MD) simulation package HOOMD-blue for the anharmonic part. We use the method to calculate the low temperature phase diagram for Lennard-Jones particles. We demonstrate that hcp is the equilibrium phase at low temperature and pressure and obtain the coexistence curve with the fcc phase, which exhibits reentrant behavior. Furthermore, several implications of the method are discussed.« less

Thermodynamical analysis of a quantum heat engine based on harmonic oscillators.

PubMed

Insinga, Andrea; Andresen, Bjarne; Salamon, Peter

2016-07-01

Many models of heat engines have been studied with the tools of finite-time thermodynamics and an ensemble of independent quantum systems as the working fluid. Because of their convenient analytical properties, harmonic oscillators are the most frequently used example of a quantum system. We analyze different thermodynamical aspects with the final aim of the optimization of the performance of the engine in terms of the mechanical power provided during a finite-time Otto cycle. The heat exchange mechanism between the working fluid and the thermal reservoirs is provided by the Lindblad formalism. We describe an analytical method to find the limit cycle and give conditions for a stable limit cycle to exist. We explore the power production landscape as the duration of the four branches of the cycle are varied for short times, intermediate times, and special frictionless times. For short times we find a periodic structure with atolls of purely dissipative operation surrounding islands of divergent behavior where, rather than tending to a limit cycle, the working fluid accumulates more and more energy. For frictionless times the periodic structure is gone and we come very close to the global optimal operation. The global optimum is found and interestingly comes with a particular value of the cycle time.

Quantum oscillator on CP{sup n} in a constant magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bellucci, Stefano; Nersessian, Armen; Yerevan Physics Institute, Alikhanian Brothers St., 2, Yerevan, 375036

2004-10-15

We construct the quantum oscillator interacting with a constant magnetic field on complex projective spaces CP{sup N}, as well as on their noncompact counterparts, i.e., the N-dimensional Lobachewski spaces L{sub N}. We find the spectrum of this system and the complete basis of wave functions. Surprisingly, the inclusion of a magnetic field does not yield any qualitative change in the energy spectrum. For N>1 the magnetic field does not break the superintegrability of the system, whereas for N=1 it preserves the exact solvability of the system. We extend these results to the cones constructed over CP{sup N} and L{sub N},more » and perform the Kustaanheimo-Stiefel transformation of these systems to the three dimensional Coulomb-like systems.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lindoy, Lachlan P.; Kolmann, Stephen J.; D’Arcy, Jordan H.

Finite temperature quantum and anharmonic effects are studied in H{sub 2}–Li{sup +}-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H{sub 2}. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of themore » center-of-mass of the H{sub 2} molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔU{sub ads}, and enthalpy, ΔH{sub ads}, for H{sub 2} adsorption onto Li{sup +}-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H{sub 2}–Li{sup +}-benzene are the “helicopter” and “ferris wheel” H{sub 2} rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔU{sub ads} and ΔH{sub ads} are −13.3 ± 0.1 and −14.5 ± 0.1 kJ mol{sup −1}, respectively.« less

Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.

PubMed

Danecek, Petr; Kapitán, Josef; Baumruk, Vladimír; Bednárová, Lucie; Kopecký, Vladimír; Bour, Petr

2007-06-14

The difference spectroscopy of the Raman optical activity (ROA) provides extended information about molecular structure. However, interpretation of the spectra is based on complex and often inaccurate simulations. Previously, the authors attempted to make the calculations more robust by including the solvent and exploring the role of molecular flexibility for alanine and proline zwitterions. In the current study, they analyze the IR, Raman, and ROA spectra of these molecules with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction (VCI), and degeneracy-corrected perturbation calculations. The harmonic approach appeared satisfactory for most of the lower-wavelength (200-1800 cm(-1)) vibrations. Modern generalized gradient approximation and hybrid density functionals, such as the common B3LYP method, provided a very good statistical agreement with the experiment. Although the inclusion of the anharmonic corrections still did not lead to complete agreement between the simulations and the experiment, occasional enhancements were achieved across the entire region of wave numbers. Not only the transitional frequencies of the C-H stretching modes were significantly improved but also Raman and ROA spectral profiles including N-H and C-H lower-frequency bending modes were more realistic after application of the VCI correction. A limited Boltzmann averaging for the lowest-frequency modes that could not be included directly in the anharmonic calculus provided a realistic inhomogeneous band broadening. The anharmonic parts of the intensity tensors (second dipole and polarizability derivatives) were found less important for the entire spectral profiles than the force field anharmonicities (third

Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions

NASA Astrophysics Data System (ADS)

Daněček, Petr; Kapitán, Josef; Baumruk, Vladimír; Bednárová, Lucie; Kopecký, Vladimír; Bouř, Petr

2007-06-01

The difference spectroscopy of the Raman optical activity (ROA) provides extended information about molecular structure. However, interpretation of the spectra is based on complex and often inaccurate simulations. Previously, the authors attempted to make the calculations more robust by including the solvent and exploring the role of molecular flexibility for alanine and proline zwitterions. In the current study, they analyze the IR, Raman, and ROA spectra of these molecules with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction (VCI), and degeneracy-corrected perturbation calculations. The harmonic approach appeared satisfactory for most of the lower-wavelength (200-1800cm-1) vibrations. Modern generalized gradient approximation and hybrid density functionals, such as the common B3LYP method, provided a very good statistical agreement with the experiment. Although the inclusion of the anharmonic corrections still did not lead to complete agreement between the simulations and the experiment, occasional enhancements were achieved across the entire region of wave numbers. Not only the transitional frequencies of the C-H stretching modes were significantly improved but also Raman and ROA spectral profiles including N-H and C-H lower-frequency bending modes were more realistic after application of the VCI correction. A limited Boltzmann averaging for the lowest-frequency modes that could not be included directly in the anharmonic calculus provided a realistic inhomogeneous band broadening. The anharmonic parts of the intensity tensors (second dipole and polarizability derivatives) were found less important for the entire spectral profiles than the force field anharmonicities (third and

Absolute Helmholtz free energy of highly anharmonic crystals: theory vs Monte Carlo.

PubMed

Yakub, Lydia; Yakub, Eugene

2012-04-14

We discuss the problem of the quantitative theoretical prediction of the absolute free energy for classical highly anharmonic solids. Helmholtz free energy of the Lennard-Jones (LJ) crystal is calculated accurately while accounting for both the anharmonicity of atomic vibrations and the pair and triple correlations in displacements of the atoms from their lattice sites. The comparison with most precise computer simulation data on sublimation and melting lines revealed that theoretical predictions are in excellent agreement with Monte Carlo simulation data in the whole range of temperatures and densities studied.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malyshev, M. Yu., E-mail: mimalysh@yandex.ru; Paston, S. A.; Prokhvatilov, E. V.

The advantage of Pauli-Villars regularization in quantum field theory quantized on the light front is explained. Simple examples of scalar λφ{sup 4} field theory and Yukawa-type model are used. We give also an example of nonperturbative calculation in the theory with Pauli-Villars fields, using for that a model of anharmonic oscillator modified by inclusion of ghost variables playing the role similar to Pauli-Villars fields.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Özdemir, Semra Bayat; Demiralp, Metin

The determination of the energy states is highly studied issue in the quantum mechanics. Based on expectation values dynamics, energy states can be observed. But conditions and calculations vary depending on the created system. In this work, a symmetric exponential anharmonic oscillator is considered and development of a recursive approximation method is studied to find its ground energy state. The use of majorant values facilitates the approximate calculation of expectation values.

Phonon anharmonicity in silicon from 100 to 1500 K

DOE PAGES

Kim, D. S.; Smith, Hillary L.; Niedziela, Jennifer L.; ...

2015-01-21

Inelastic neutron scattering was performed on silicon powder to measure the phonon density of states (DOS) from 100 to 1500 K. The mean fractional energy shifts with temperature of the modes weremore » $$\\langle$$Δε i/ε iΔT$$\\rangle$$=₋0.07, giving a mean isobaric Grüneisen parameter of +6.95±0.67, which is significantly different from the isothermal parameter of +0.98. These large effects are beyond the predictions from quasiharmonic models using density functional theory or experimental data, demonstrating large effects from phonon anharmonicity. At 1500 K the anharmonicity contributes 0.15k B/atom to the vibrational entropy, compared to 0.03k B/atom from quasiharmonicity. Lastly, excellent agreement was found between the entropy from phonon DOS measurements and the reference NIST-JANAF thermodynamic entropy from calorimetric measurements.« less

First-principles theory of anharmonicity and the inverse isotope effect in superconducting palladium-hydride compounds.

PubMed

Errea, Ion; Calandra, Matteo; Mauri, Francesco

2013-10-25

Palladium hydrides display the largest isotope effect anomaly known in the literature. Replacement of hydrogen with the heavier isotopes leads to higher superconducting temperatures, a behavior inconsistent with harmonic theory. Solving the self-consistent harmonic approximation by a stochastic approach, we obtain the anharmonic free energy, the thermal expansion, and the superconducting properties fully ab initio. We find that the phonon spectra are strongly renormalized by anharmonicity far beyond the perturbative regime. Superconductivity is phonon mediated, but the harmonic approximation largely overestimates the superconducting critical temperatures. We explain the inverse isotope effect, obtaining a -0.38 value for the isotope coefficient in good agreement with experiments, hydrogen anharmonicity being mainly responsible for the isotope anomaly.

Relativistic harmonic oscillator revisited

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bars, Itzhak

2009-02-15

The familiar Fock space commonly used to describe the relativistic harmonic oscillator, for example, as part of string theory, is insufficient to describe all the states of the relativistic oscillator. We find that there are three different vacua leading to three disconnected Fock sectors, all constructed with the same creation-annihilation operators. These have different spacetime geometric properties as well as different algebraic symmetry properties or different quantum numbers. Two of these Fock spaces include negative norm ghosts (as in string theory), while the third one is completely free of ghosts. We discuss a gauge symmetry in a worldline theory approachmore » that supplies appropriate constraints to remove all the ghosts from all Fock sectors of the single oscillator. The resulting ghost-free quantum spectrum in d+1 dimensions is then classified in unitary representations of the Lorentz group SO(d,1). Moreover, all states of the single oscillator put together make up a single infinite dimensional unitary representation of a hidden global symmetry SU(d,1), whose Casimir eigenvalues are computed. Possible applications of these new results in string theory and other areas of physics and mathematics are briefly mentioned.« less

Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasper, Ahren W.; Gruey, Zackery B.; Harding, Lawrence B.

Monte Carlo phase space integration (MCPSI) is used to compute full dimensional and fully anharmonic, but classical, rovibrational partition functions for 22 small- and medium-sized molecules and radicals. Several of the species considered here feature multiple minima and low-frequency nonlocal motions, and efficiently sampling these systems is facilitated using curvilinear (stretch, bend, and torsion) coordinates. The curvilinear coordinate MCPSI method is demonstrated to be applicable to the treatment of fluxional species with complex rovibrational structures and as many as 21 fully coupled rovibrational degrees of freedom. Trends in the computed anharmonicity corrections are discussed. For many systems, rovibrational anharmonicities atmore » elevated temperatures are shown to vary consistently with the number of degrees of freedom and with temperature once rovibrational coupling and torsional anharmonicity are accounted for. Larger corrections are found for systems with complex vibrational structures, such as systems with multiple large-amplitude modes and/or multiple minima.« less

Pilot-multiplexed continuous-variable quantum key distribution with a real local oscillator

NASA Astrophysics Data System (ADS)

Wang, Tao; Huang, Peng; Zhou, Yingming; Liu, Weiqi; Zeng, Guihua

2018-01-01

We propose a pilot-multiplexed continuous-variable quantum key distribution (CVQKD) scheme based on a local local oscillator (LLO). Our scheme utilizes time-multiplexing and polarization-multiplexing techniques to dramatically isolate the quantum signal from the pilot, employs two heterodyne detectors to separately detect the signal and the pilot, and adopts a phase compensation method to almost eliminate the multifrequency phase jitter. In order to analyze the performance of our scheme, a general LLO noise model is constructed. Besides the phase noise and the modulation noise, the photon-leakage noise from the reference path and the quantization noise due to the analog-to-digital converter (ADC) are also considered, which are first analyzed in the LLO regime. Under such general noise model, our scheme has a higher key rate and longer secure distance compared with the preexisting LLO schemes. Moreover, we also conduct an experiment to verify our pilot-multiplexed scheme. Results show that it maintains a low level of the phase noise and is expected to obtain a 554-Kbps secure key rate within a 15-km distance under the finite-size effect.

Exact, E = 0, classical and quantum solutions for general power-law oscillators

NASA Technical Reports Server (NTRS)

Nieto, Michael Martin; Daboul, Jamil

1995-01-01

For zero energy, E = 0, we derive exact, classical and quantum solutions for all power-law oscillators with potentials V(r) = -gamma/r(exp nu), gamma greater than 0 and -infinity less than nu less than infinity. When the angular momentum is non-zero, these solutions lead to the classical orbits (p(t) = (cos mu(phi(t) - phi(sub 0)t))(exp 1/mu) with mu = nu/2 - 1 does not equal 0. For nu greater than 2, the orbits are bound and go through the origin. We calculate the periods and precessions of these bound orbits, and graph a number of specific examples. The unbound orbits are also discussed in detail. Quantum mechanically, this system is also exactly solvable. We find that when nu is greater than 2 the solutions are normalizable (bound), as in the classical case. Further, there are normalizable discrete, yet unbound, states. They correspond to unbound classical particles which reach infinity in a finite time. Finally, the number of space dimensions of the system can determine whether or not an E = 0 state is bound. These and other interesting comparisons to the classical system will be discussed.

On the Klein–Gordon oscillator subject to a Coulomb-type potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bakke, K., E-mail: kbakke@fisica.ufpb.br; Furtado, C., E-mail: furtado@fisica.ufpb.br

2015-04-15

By introducing the scalar potential as modification in the mass term of the Klein–Gordon equation, the influence of a Coulomb-type potential on the Klein–Gordon oscillator is investigated. Relativistic bound states solutions are achieved to both attractive and repulsive Coulomb-type potentials and the arising of a quantum effect characterized by the dependence of angular frequency of the Klein–Gordon oscillator on the quantum numbers of the system is shown. - Highlights: • Interaction between the Klein–Gordon oscillator and a modified mass term. • Relativistic bound states for both attractive and repulsive Coulomb-type potentials. • Dependence of the Klein–Gordon oscillator frequency on themore » quantum numbers. • Relativistic analogue of a position-dependent mass system.« less

Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations

NASA Astrophysics Data System (ADS)

Jia, Yu; Wu, Biao; Li, Chong; Einstein, T. L.; Weitering, H. H.; Zhang, Zhenyu

2010-08-01

Using first-principles calculations within density functional theory, we study Friedel oscillations (FOs) in the electron density at different metal surfaces and their influence on the lattice relaxation and stability of ultrathin metal films. We show that the FOs at the Pb(111) surface decay as 1/x with the distance x from the surface, different from the conventional 1/x2 power law at other metal surfaces. The underlying physical reason for this striking difference is tied to the strong nesting of the two different Fermi sheets along the Pb(111) direction. The interference of the strong FOs emanating from the two surfaces of a Pb(111) film, in turn, not only results in superoscillatory interlayer relaxations around the center of the film, but also determines its stability in the quantum regime. As a simple and generic picture, the present findings also explain why quantum size effects are exceptionally robust in Pb(111) films.

Probing biomolecular interaction forces using an anharmonic acoustic technique for selective detection of bacterial spores.

PubMed

Ghosh, Sourav K; Ostanin, Victor P; Johnson, Christian L; Lowe, Christopher R; Seshia, Ashwin A

2011-11-15

Receptor-based detection of pathogens often suffers from non-specific interactions, and as most detection techniques cannot distinguish between affinities of interactions, false positive responses remain a plaguing reality. Here, we report an anharmonic acoustic based method of detection that addresses the inherent weakness of current ligand dependant assays. Spores of Bacillus subtilis (Bacillus anthracis simulant) were immobilized on a thickness-shear mode AT-cut quartz crystal functionalized with anti-spore antibody and the sensor was driven by a pure sinusoidal oscillation at increasing amplitude. Biomolecular interaction forces between the coupled spores and the accelerating surface caused a nonlinear modulation of the acoustic response of the crystal. In particular, the deviation in the third harmonic of the transduced electrical response versus oscillation amplitude of the sensor (signal) was found to be significant. Signals from the specifically-bound spores were clearly distinguishable in shape from those of the physisorbed streptavidin-coated polystyrene microbeads. The analytical model presented here enables estimation of the biomolecular interaction forces from the measured response. Thus, probing biomolecular interaction forces using the described technique can quantitatively detect pathogens and distinguish specific from non-specific interactions, with potential applicability to rapid point-of-care detection. This also serves as a potential tool for rapid force-spectroscopy, affinity-based biomolecular screening and mapping of molecular interaction networks. Copyright © 2011 Elsevier B.V. All rights reserved.

Spin Current through a Quantum Dot in the Presence of an Oscillating Magnetic Field

NASA Astrophysics Data System (ADS)

Zhang, Ping; Xue, Qi-Kun; Xie, X. C.

2003-11-01

Nonequilibrium spin transport through an interacting quantum dot is analyzed. The coherent spin oscillations in the dot provide a generating source for spin current. In the interacting regime, the Kondo effect is influenced in a significant way by the presence of the processing magnetic field. In particular, when the precession frequency is tuned to resonance between spin-up and spin-down states of the dot, Kondo singularity for each spin splits into a superposition of two resonance peaks. The Kondo-type cotunneling contribution is manifested by a large enhancement of the pumped spin current in the strong coupling low temperature regime.

Nonlinear interactions between electromagnetic waves and electron plasma oscillations in quantum plasmas.

PubMed

Shukla, P K; Eliasson, B

2007-08-31

We consider nonlinear interactions between intense circularly polarized electromagnetic (CPEM) waves and electron plasma oscillations (EPOs) in a dense quantum plasma, taking into account the electron density response in the presence of the relativistic ponderomotive force and mass increase in the CPEM wave fields. The dynamics of the CPEM waves and EPOs is governed by the two coupled nonlinear Schrödinger equations and Poisson's equation. The nonlinear equations admit the modulational instability of an intense CPEM pump wave against EPOs, leading to the formation and trapping of localized CPEM wave pipes in the electron density hole that is associated with a positive potential distribution in our dense plasma. The relevance of our investigation to the next generation intense laser-solid density plasma interaction experiments is discussed.

The Biharmonic Oscillator and Asymmetric Linear Potentials: From Classical Trajectories to Momentum-Space Probability Densities in the Extreme Quantum Limit

ERIC Educational Resources Information Center

Ruckle, L. J.; Belloni, M.; Robinett, R. W.

2012-01-01

The biharmonic oscillator and the asymmetric linear well are two confining power-law-type potentials for which complete bound-state solutions are possible in both classical and quantum mechanics. We examine these problems in detail, beginning with studies of their trajectories in position and momentum space, evaluation of the classical probability…

Morse oscillator propagator in the high temperature limit I: Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toutounji, Mohamad, E-mail: Mtoutounji@uaeu.ac.ae

2017-02-15

In an earlier work of the author the time evolution of Morse oscillator was studied analytically and exactly at low temperatures whereupon optical correlation functions were calculated using Morse oscillator coherent states were employed. Morse oscillator propagator in the high temperature limit is derived and a closed form of its corresponding canonical partition function is obtained. Both diagonal and off-diagonal forms of Morse oscillator propagator are derived in the high temperature limit. Partition functions of diatomic molecules are calculated. - Highlights: • Derives the quantum propagator of Morse oscillator in the high temperature limit. • Uses the resulting diagonal propagatormore » to derive a closed form of Morse oscillator partition function. • Provides a more sophisticated formula of the quantum propagator to test the accuracy of the herein results.« less

Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Chen W.; Smith, Hillary L.; Lan, Tian

2015-04-13

Inelastic neutron scattering measurements on monoclinic zirconia (ZrO 2) and 8 mol% yttrium-stabilized zirconia were performed at temperatures from 300 to 1373 ωK. We reported temperature-dependent phonon densities of states (DOS) and Raman spectra obtained at elevated temperatures. First-principles lattice dynamics calculations with density functional theory gave total and partial phonon DOS curves and mode Grüneisen parameters. These mode Grüneisen parameters were used to predict the experimental temperature dependence of the phonon DOS with partial success. However, substantial anharmonicity was found at elevated temperatures, especially for phonon modes dominated by the motions of oxygen atoms. Yttrium-stabilized zirconia (YSZ) was somewhatmore » more anharmonic and had a broader phonon spectrum at low temperatures, owing in part to defects in its structure. YSZ also has a larger vibrational entropy than monoclinic zirconia.« less

Anderson localized state as a predissipative state: irreversible emission of thermalized quanta from a dynamically delocalized state.

PubMed

Yamada, Hiroaki; Ikeda, Kensuke S

2002-04-01

It was shown that localization in one-dimensional disordered (quantum) electronic system is destroyed against coherent harmonic perturbations and the delocalized electron exhibits an unlimited diffusive motion [Yamada and Ikeda, Phys. Rev. E 59, 5214 (1999)]. The appearance of diffusion implies that the system has potential for irreversibility and dissipation. In the present paper, we investigate dissipative property of the dynamically delocalized state, and we show that an irreversible quasistationary energy flow indeed appears in the form of a "heat" flow when we couple the system with another dynamical degree of freedom. In the concrete we numerically investigate dissipative properties of a one-dimensional tight-binding electronic system perturbed by time-dependent harmonic forces, by coupling it with a quantum harmonic oscillator or a quantum anharmonic oscillator. It is demonstrated that if the on-site potential is spatially irregular an irreversible energy transfer from the scattered electron to the test oscillator occurs. Moreover, the test oscillator promptly approaches a thermalized state characterized by a well-defined time-dependent temperature. On the contrary, such a relaxation process cannot be observed at all for periodic potential systems. Our system is one of the minimal quantum systems in which a distinct nonequilibrium statistical behavior is self-induced.

Mechanism of triple-color phase oscillators

NASA Astrophysics Data System (ADS)

Pun, Kwok C.

1998-08-01

A realistic model has been developed for a barium titanate triple-color phase oscillator based on the mechanism of polarizabililty and quantum mechanics. It helps to explain some of the difficult phenomena of the phase oscillator. As a result, with the clear understanding, we can seek betterment of the oscillator as a photonic switch as well as a one color writing and another color displaying no cross talk advance information exchanger.

Quantum dot spin-V(E)CSELs: polarization switching and periodic oscillations

NASA Astrophysics Data System (ADS)

Li, Nianqiang; Alexandropoulos, Dimitris; Susanto, Hadi; Henning, Ian; Adams, Michael

2017-09-01

Spin-polarized vertical (external) cavity surface-emitting lasers [Spin-V(E)CSELs] using quantum dot (QD) material for the active region, can display polarization switching between the right- and left-circularly polarized fields via control of the pump polarization. In particular, our previous experimental results have shown that the output polarization ellipticity of the spin-V(E)CSEL emission can exhibit either the same handedness as that of the pump polarization or the opposite, depending on the experimental operating conditions. In this contribution, we use a modified version of the spin-flip model in conjunction with combined time-independent stability analysis and direct time integration. With two representative sets of parameters our simulation results show good agreement with experimental observations. In addition periodic oscillations provide further insight into the dynamic properties of spin-V(E)CSELs.

Accurate anharmonic zero-point energies for some combustion-related species from diffusion Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.

Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).

Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo.

PubMed

Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J

2017-06-08

Full-dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion-related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic zero-point energies. The resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower-level electronic structure methods (B3LYP and MP2).

Accurate anharmonic zero-point energies for some combustion-related species from diffusion Monte Carlo

DOE PAGES

Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.

2017-05-17

Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).

Orbitally-driven giant phonon anharmonicity in SnSe

DOE PAGES

Li, Chen W.; Hong, Jiawang; May, Andrew F.; ...

2015-10-19

We understand that elementary excitations and their couplings in condensed matter systems is critical to develop better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The material with the current record for thermoelectric conversion efficiency, SnSe, achieves an ultra-low thermal conductivity, but the mechanism enabling this strong phonon scattering remains largely unknown. Using inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and revealed the origin of ionic-potential anharmonicity responsible for the unique properties of SnSe. Wemore » show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. Our results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers precious insights on how electron-phonon and phononphonon interactions may lead to the realization of ultra-low thermal conductivity.« less

Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: application to SSSH.

PubMed

Kolmann, Stephen J; Jordan, Meredith J T

2010-02-07

One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH

NASA Astrophysics Data System (ADS)

Kolmann, Stephen J.; Jordan, Meredith J. T.

2010-02-01

One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.

Neutrino Oscillations: Eighty Years in Review

NASA Astrophysics Data System (ADS)

Bowers, Rebecca Lyn

In order to discuss neutrino oscillations, it is necessary to have knowledge of the developments in the field spanning the last eighty years. The existence of the neutrino was posited by Wolfgang Pauli in 1930 to account for the mass defect in beta decay, and to this day physicists are still endeavoring to answer fundamental questions about this enigmatic particle. The scope of this thesis includes a historical background of neutrino physics and a discussion of neutrinos and the Standard Model; subsequent to this is a discussion of the Solar Neutrino Problem, which provided the impetus for the proposal of neutrino oscillations. Bolstering the theory of neutrino oscillations (which is developed in the body of this thesis) are neutrino detector experiments and their results; these include the Homestake experiment, SNO, Kamiokande and Super-Kamiokande, MINOS, and Double-Chooz. We also include relevant derivations, most particularly of the quantum mechanics of neutrino oscillations as treated in the wave packet formalism. We have amassed here the principle theories and experimental results -- a mere tip of the iceberg -- that have brought us to our current understanding of neutrino oscillations. We have also studied the quantum mechanics of neutrino oscillations and developed for ourselves the wave packet formalism describing the phenomenon.

Harmonic oscillator states in aberration optics

NASA Technical Reports Server (NTRS)

Wolf, Kurt Bernardo

1993-01-01

The states of the three-dimensional quantum harmonic oscillator classify optical aberrations of axis-symmetric systems due to the isomorphism between the two mathematical structures. Cartesian quanta and angular momentum classifications have their corresponding aberration classifications. The operation of concatenation of optical elements introduces a new operation between harmonic oscillator states.

Theoretical Investigation of Anharmonic Effects Observed in the Infrared Spectra of the Formaldehyde Cation and its Hydroxymethylene Isomer

NASA Astrophysics Data System (ADS)

Madison, Lindsey R.; Mosley, Jonathan; Mauney, Daniel; Duncan, Michael A.; McCoy, Anne B.

2016-06-01

Formaldehyde is the smallest organic molecule and is a prime candidate for a thorough investigation regarding the anharmonic approximations made in computationally modeling its infrared spectrum. Mass-selected ion spectroscopy was used to detect mass 30 cations which include of HCOH^+ and CH_2O^+. In order to elucidate the differences between the structures of these isomers, infrared spectroscopy was performed on the mass 30 cations using Ar predissociation. Interestingly, several additional spectral features are observed that cannot be explained by the fundamental OH and CH stretch vibrations alone. By including anharmonic coupling between OH and CH stretching and various overtones and combination bands involving lower frequency vibrations, we are able to identify how specific modes couple and lead to the experimentally observed spectral features. We combine straight-forward, ab initio calculations of the anharmonic frequencies of the mass 30 cations with higher order, adiabatic approximations and Fermi resonance models. By including anharmonic effects we are able to confirm that the isomers of the CH_2O^+\\cdotAr system have substantially different, and thus distinguishable, IR spectra and that many of the features can only be explained with anharmonic treatments.

Quantum conductance oscillation in linear monatomic silicon chains

NASA Astrophysics Data System (ADS)

Liu, Fu-Ti; Cheng, Yan; Yang, Fu-Bin; Chen, Xiang-Rong

2014-02-01

The conductance of linear silicon atomic chains with n=1-8 atoms sandwiched between Au electrodes is investigated by using the density functional theory combined with non-equilibrium Green's function. The results show that the conductance oscillates with a period of two atoms as the number of atoms in the chain is varied. We optimize the geometric structure of nanoscale junctions in different distances, and obtain that the average bond-length of silicon atoms in each chain at equilibrium positions is 2.15±0.03 Å. The oscillation of average Si-Si bond-length can explain the conductance oscillation from the geometric structure of atomic chains. We calculate the transmission spectrum of the chains in the equilibrium positions, and explain the conductance oscillation from the electronic structure. The transport channel is mainly contributed by px and py orbital electrons of silicon atoms. The even-odd oscillation is robust under external voltage up to 1.2 V.

Quantum Dynamics of Multi Harmonic Oscillators Described by Time Variant Conic Hamiltonian and their Use in Contemporary Sciences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demiralp, Metin

This work focuses on the dynamics of a system of quantum multi harmonic oscillators whose Hamiltonian is conic in positions and momenta with time variant coefficients. While it is simple, this system is useful for modeling the dynamics of a number of systems in contemporary sciences where the equations governing spatial or temporal changes are described by sets of ODEs. The dynamical causal models used readily in neuroscience can be indirectly described by these systems. In this work, we want to show that it is possible to describe these systems using quantum wave function type entities and expectations if themore » dynamic of the system is related to a set of ODEs.« less

Magnetic field mediated conductance oscillation in graphene p–n junctions

NASA Astrophysics Data System (ADS)

Cheng, Shu-Guang

2018-04-01

The electronic transport of graphene p–n junctions under perpendicular magnetic field is investigated in theory. Under low magnetic field, the transport is determined by the resonant tunneling of Landau levels and conductance versus magnetic field shows a Shubnikov–de Haas oscillation. At higher magnetic field, the p–n junction subjected to the quasi-classical regime and the formation of snake states results in periodical backscattering and transmission as magnetic field varies. The conductance oscillation pattern is mediated both by magnetic field and the carrier concentration on bipolar regions. For medium magnetic field between above two regimes, the combined contributions of resonant tunneling, snake states oscillation and Aharanov–Bohm interference induce irregular oscillation of conductance. At very high magnetic field, the system is subjected to quantum Hall regime. Under disorder, the quantum tunneling at low magnetic field is slightly affected and the oscillation of snake states at higher magnetic field is suppressed. In the quantum Hall regime, the conductance is a constant as predicted by the mixture rule.

Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation

NASA Astrophysics Data System (ADS)

Mauri, Francesco

Anharmonic effects can generally be treated within perturbation theory. Such an approach breaks down when the harmonic solution is dynamically unstable or when the anharmonic corrections of the phonon energies are larger than the harmonic frequencies themselves. This situation occurs near lattice-related second-order phase-transitions such as charge-density-wave (CDW) or ferroelectric instabilities or in H-containing materials, where the large zero-point motion of the protons results in a violation of the harmonic approximation. Interestingly, even in these cases, phonons can be observed, measured, and used to model transport properties. In order to treat such cases, we developed a stochastic implementation of the self-consistent harmonic approximation valid to treat anharmonicity in the nonperturbative regime and to obtain, from first-principles, the structural, thermodynamic and vibrational properties of strongly anharmonic systems. I will present applications to the ferroelectric transitions in SnTe, to the CWD transitions in NbS2 and NbSe2 (in bulk and monolayer) and to the hydrogen-bond symmetrization transition in the superconducting hydrogen sulfide system, that exhibits the highest Tc reported for any superconductor so far. In all cases we are able to predict the transition temperature (pressure) and the evolution of phonons with temperature (pressure). This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No. 696656 GrapheneCore1.

Quantum oscillations in the anomalous spin density wave state of FeAs

DOE PAGES

Campbell, Daniel J.; Eckberg, Chris; Wang, Kefeng; ...

2017-08-10

Quantum oscillations in the binary antiferromagnetic metal FeAs are presented and compared to theoretical predictions for the electronic band structure in the anomalous spin density wave state of this material. Demonstrating a method for growing single crystals out of Bi flux, we utilize the highest quality FeAs to perform torque magnetometry experiments up to 35 T, using rotations of field angle in two planes to provide evidence for one electron and one hole band in the magnetically ordered state. Finally, the resulting picture agrees with previous experimental evidence for multiple carriers at low temperatures, but the exact Fermi surface shapemore » differs from predictions, suggesting that correlations play a role in deviation from ab initio theory and cause up to a fourfold enhancement in the effective carrier mass.« less

Continuous variable quantum key distribution with a real local oscillator using simultaneous pilot signals.

PubMed

Kleis, Sebastian; Rueckmann, Max; Schaeffer, Christian G

2017-04-15

In this Letter, we propose a novel implementation of continuous variable quantum key distribution that operates with a real local oscillator placed at the receiver site. In addition, pulsing of the continuous wave laser sources is not required, leading to an extraordinary practical and secure setup. It is suitable for arbitrary schemes based on modulated coherent states and heterodyne detection. The shown results include transmission experiments, as well as an excess noise analysis applying a discrete 8-state phase modulation. Achievable key rates under collective attacks are estimated. The results demonstrate the high potential of the approach to achieve high secret key rates at relatively low effort and cost.

Quantum mechanics and hidden superconformal symmetry

NASA Astrophysics Data System (ADS)

Bonezzi, R.; Corradini, O.; Latini, E.; Waldron, A.

2017-12-01

Solvability of the ubiquitous quantum harmonic oscillator relies on a spectrum generating osp (1 |2 ) superconformal symmetry. We study the problem of constructing all quantum mechanical models with a hidden osp (1 |2 ) symmetry on a given space of states. This problem stems from interacting higher spin models coupled to gravity. In one dimension, we show that the solution to this problem is the Vasiliev-Plyushchay family of quantum mechanical models with hidden superconformal symmetry obtained by viewing the harmonic oscillator as a one dimensional Dirac system, so that Grassmann parity equals wave function parity. These models—both oscillator and particlelike—realize all possible unitary irreducible representations of osp (1 |2 ).

𝒩 = 2 supersymmetric Pais-Uhlenbeck oscillator

NASA Astrophysics Data System (ADS)

Masterov, Ivan

2015-06-01

We construct an 𝒩 = 2 supersymmetric extension of the Pais-Uhlenbeck oscillator for distinct frequencies of oscillation. A link to a set of decoupled 𝒩 = 2 supersymmetric harmonic oscillators with alternating sign in the Hamiltonian is introduced. Symmetries of the model are discussed in detail. The investigation of a quantum counterpart of the constructed model shows that the corresponding Fock space contains negative norm states and the energy spectrum of the system is unbounded from below.

Electron energy can oscillate near a crystal dislocation

DOE PAGES

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.; ...

2017-01-25

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

Quantum oscillations in dual-layered quasi-two-dimensional organic metal (ET){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyubovskii, R. B.; Pesotskii, S. I., E-mail: pesot@icp.ac.ru; Shilov, G. V.

2016-08-15

The behavior of de Haas–van Alfven (dHvA) and Shubnikov–de Haas (ShdH) quantum oscillations in dual-layered quasi-two-dimensional organic metal (ET){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2}) is investigated. The oscillation spectra qualitatively agree with theoretical calculations of the bandgap structure. The angular dependence of the oscillation amplitude of magnetoresistance contains “spin zeros”; the analysis of the location of these zeros allows one to evaluate the electron–phonon interaction constant: λ ≈ 0.2.

Thermal decay of Coulomb blockade oscillations

NASA Astrophysics Data System (ADS)

Idrisov, Edvin G.; Levkivskyi, Ivan P.; Sukhorukov, Eugene V.

2017-10-01

We study transport properties and the charge quantization phenomenon in a small metallic island connected to the leads through two quantum point contacts (QPCs). The linear conductance is calculated perturbatively with respect to weak tunneling and weak backscattering at QPCs as a function of the temperature T and gate voltage. The conductance shows Coulomb blockade (CB) oscillations as a function of the gate voltage that decay with the temperature as a result of thermally activated fluctuations of the charge in the island. The regimes of quantum T ≪EC and thermal T ≫EC fluctuations are considered, where EC is the charging energy of an isolated island. Our predictions for CB oscillations in the quantum regime coincide with previous findings by Furusaki and Matveev [Phys. Rev. B 52, 16676 (1995), 10.1103/PhysRevB.52.16676]. In the thermal regime the visibility of Coulomb blockade oscillations decays with the temperature as √{T /EC }exp(-π2T /EC) , where the exponential dependence originates from the thermal averaging over the instant charge fluctuations, while the prefactor has a quantum origin. This dependence does not depend on the strength of couplings to the leads. The differential capacitance, calculated in the case of a single tunnel junction, shows the same exponential decay, however the prefactor is linear in the temperature. This difference can be attributed to the nonlocality of the quantum effects. Our results agree with the recent experiment [Nature (London) 536, 58 (2016), 10.1038/nature19072] in the whole range of the parameter T /EC .

Angular dependence of novel magnetic quantum oscillations in a quasi-two-dimensional multiband Fermi liquid with impurities

NASA Astrophysics Data System (ADS)

Bratkovsky, A. M.; Alexandrov, A. S.

2002-03-01

The semiclassical Lifshitz-Kosevich-type description is given for the angular dependence of quantum oscillations with combination frequencies in a multiband quasi-two-dimensional Fermi liquid with a constant number of electrons. The analytical expressions are found for the Dingle, thermal, spin, and amplitude (Yamaji) reduction factors of the novel combination harmonics, where the latter two strongly oscillate with the direction of the field [1]. At the magic angles those factors reduce to the purely two-dimensional expressions given earlier. The combination harmonics are suppressed in the presence of the nonquantized background states, and they decay exponentially faster with temperature and/or disorder compared to the standard harmonics, providing an additional tool for electronic structure determination. The theory is applied to Sr2RuO4. [1] A.M. Bratkovsky and A.S. Alexandrov, Phys. Rev. B 65, xxxx (2002); cond-mat/0104520.

Harmonic and Anharmonic Free Energies in Superlattices of Soft Particle Systems

NASA Astrophysics Data System (ADS)

Travesset, Alex; Calero, Carles; Knorowski, Chris

Many problems in self and directed assembly rely on the rigorous calculation of free energies. In systems of nanoparticles with capping ligands, for example, superlattices are found in closely competing structures, such as hcp/fcc, cubic/hexagonal diamond or those isomorphic between MgCu2 and MgZn2. With this motivation, we investigate a general method to calculate free energy of crystalline solids by considering the harmonic approximation and quasistatically switching the anharmonic contribution. The advantage of the method is that the harmonic approximation provides an already very accurate estimate of the free energy, and therefore the anharmonic term is numerically very small and can be determined to very high accuracy. We further show that the anharmonic contribution to the free energy satisfies a number of exact inequalities that place con- strains on its magnitude and allows approximate but fast and accurate estimates. We apply it to Lennard Jones sytems where we demonstrate that hcp is the equilibrium phase at low temperature and pressure and obtain the coexistence curve with the fcc phase, which exhibits reentrant behavior and binary systems that model nanoparticle superlattices with hydrocarbon capping ligand. The research was performed at the Ames Laboratory, which is operated for the US DOE by Iowa State University under Contract Number DE-AC02-07CH11358.

Ultrasonic control of terahertz radiation via lattice anharmonicity in LiNbO3

NASA Astrophysics Data System (ADS)

Poolman, R. H.; Ivanov, A. L.; Muljarov, E. A.

2011-06-01

We propose a tunable terahertz (THz) filter using the resonant acousto-optic (RAO) effect. We present a design based on a transverse optical (TO) phonon mediated interaction between a coherent acoustic wave and the THz field in LiNbO3. We predict a tunable range for the filter of up to 4 THz via the variation of the acoustic frequency between 0.1 and 1 GHz. The RAO effect in this case is due to cubic and quartic anharmonicities between TO phonons and the acoustic field. The effect of the interference between the anharmonicities is also discussed.

The q-harmonic oscillators, q-coherent states and the q-symplecton

NASA Technical Reports Server (NTRS)

Biedenharn, L. C.; Lohe, M. A.; Nomura, Masao

1993-01-01

The recently introduced notion of a quantum group is discussed conceptually and then related to deformed harmonic oscillators ('q-harmonic oscillators'). Two developments in applying q-harmonic oscillators are reviewed: q-coherent states and the q-symplecton.

Cavity Optomechanics: Coherent Coupling of Light and Mechanical Oscillators

NASA Astrophysics Data System (ADS)

Kippenberg, Tobias J.

2012-06-01

The mutual coupling of optical and mechanical degrees of freedom via radiation pressure has been a subject of interest in the context of quantum limited displacements measurements for Gravity Wave Detection for many decades, however light forces have remained experimentally unexplored in such systems. Recent advances in nano- and micro-mechanical oscillators have for the first time allowed the observation of radiation pressure phenomena in an experimental setting and constitute the expanding research field of cavity optomechanics [1]. These advances have allowed achieving to enter the quantum regime of mechanical systems, which are now becoming a third quantum technology after atoms, ions and molecules in a first and electronic circuits in a second wave. In this talk I will review these advances. Using on-chip micro-cavities that combine both optical and mechanical degrees of freedom in one and the same device [2], radiation pressure back-action of photons is shown to lead to effective cooling [3-6]) of the mechanical oscillator mode using dynamical backaction, which has been predicted by Braginsky as early as 1969 [4]. This back-action cooling exhibits many close analogies to atomic laser cooling. With this novel technique the quantum mechanical ground state of a micromechanical oscillator has been prepared with high probability using both microwave and optical fields. In our research this is reached using cryogenic precooling to ca. 800 mK in conjunction with laser cooling, allowing cooling of micromechanical oscillator to only motional 1.7 quanta, implying that the mechanical oscillator spends about 40% of its time in the quantum ground state. Moreover it is possible in this regime to observe quantum coherent coupling in which the mechanical and optical mode hybridize and the coupling rate exceeds the mechanical and optical decoherence rate [7]. This accomplishment enables a range of quantum optical experiments, including state transfer from light to mechanics

Quantum vibrational polarons: Crystalline acetanilide revisited

NASA Astrophysics Data System (ADS)

Hamm, Peter; Edler, Julian

2006-03-01

We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.

Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO3 with first-principles anharmonic force constants

NASA Astrophysics Data System (ADS)

Tadano, Terumasa; Tsuneyuki, Shinji

2015-08-01

We present an ab initio framework to calculate anharmonic phonon frequency and phonon lifetime that is applicable to severely anharmonic systems. We employ self-consistent phonon (SCPH) theory with microscopic anharmonic force constants, which are extracted from density functional calculations using the least absolute shrinkage and selection operator technique. We apply the method to the high-temperature phase of SrTiO3 and obtain well-defined phonon quasiparticles that are free from imaginary frequencies. Here we show that the anharmonic phonon frequency of the antiferrodistortive mode depends significantly on the system size near the critical temperature of the cubic-to-tetragonal phase transition. By applying perturbation theory to the SCPH result, phonon lifetimes are calculated for cubic SrTiO3, which are then employed to predict lattice thermal conductivity using the Boltzmann transport equation within the relaxation-time approximation. The presented methodology is efficient and accurate, paving the way toward a reliable description of thermodynamic, dynamic, and transport properties of systems with severe anharmonicity, including thermoelectric, ferroelectric, and superconducting materials.

Effects of oxygen plasma etching on Sb{sub 2}Te{sub 3} explored by torque detected quantum oscillations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Yuan, E-mail: yuan.yan@pi1.physik.uni-stuttgart.de, E-mail: martin.dressel@pi1.physik.uni-stuttgart.de; Heintze, Eric; Pracht, Uwe S.

2016-04-25

De Haas–van Alphen measurements evidence that oxygen plasma etching strongly affects the properties of the three-dimensional topological insulator Sb{sub 2}Te{sub 3}. The quantum oscillations in magnetization down to low temperature (T ≥ 2 K) and high magnetic field (B ≤ 7 T) have been systematically investigated using a high-sensitive cantilever torque magnetometer. The effective mass and the oscillation frequency obtained from de Haas–van Alphen measurements first increase and then decrease as the oxygen plasma etching time increases from 0 to 12 min, corresponding to an up- and down-shift of the Dirac point. We establish the cantilever torque magnetometer as a powerful contactless tool to investigate themore » oxygen sensitivity of the surface state in topological insulators.« less

A Gaussian wave packet phase-space representation of quantum canonical statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coughtrie, David J.; Tew, David P.

2015-07-28

We present a mapping of quantum canonical statistical averages onto a phase-space average over thawed Gaussian wave-packet (GWP) parameters, which is exact for harmonic systems at all temperatures. The mapping invokes an effective potential surface, experienced by the wave packets, and a temperature-dependent phase-space integrand, to correctly transition from the GWP average at low temperature to classical statistics at high temperature. Numerical tests on weakly and strongly anharmonic model systems demonstrate that thermal averages of the system energy and geometric properties are accurate to within 1% of the exact quantum values at all temperatures.

Importance of nonlocal electron correlation in the BaNiS2 semimetal from quantum oscillations studies

NASA Astrophysics Data System (ADS)

Klein, Yannick; Casula, Michele; Santos-Cottin, David; Audouard, Alain; Vignolles, David; Fève, Gwendal; Freulon, Vincent; Plaçais, Bernard; Verseils, Marine; Yang, Hancheng; Paulatto, Lorenzo; Gauzzi, Andrea

2018-02-01

By means of Shubnikov-de Haas and de Haas-van Alphen oscillations, and ab initio calculations, we have studied the Fermi surface of high-quality BaNiS2 single crystals, with mean free path l ˜400 Å . The angle and temperature dependence of quantum oscillations indicates a quasi-two-dimensional Fermi surface, made of an electronlike tube centered at Γ , and of four holelike cones, generated by Dirac bands, weakly dispersive in the out-of-plane direction. Ab initio electronic structure calculations, in the density functional theory framework, show that the inclusion of screened exchange is necessary to account for the experimental Fermi pockets. Therefore, the choice of the functional becomes crucial. A modified HSE hybrid functional with 7% of exact exchange outperforms both GGA and GGA +U density functionals, signaling the importance of nonlocal screened-exchange interactions in BaNiS2, and, more generally, in 3 d compensated semimetals.

Effect of Anharmonicity on the Kondo Phenomena of a Magnetic Ion Vibrating in a Confinement Potential

NASA Astrophysics Data System (ADS)

Yashiki, Satoshi; Ueda, Kazuo

2011-08-01

Effect of anharmonicity of a cage potential for a magnetic ion vibrating in a metal is investigated by the numerical renormalization group method. The cage potential is assumed to be one-dimensional and of the double-well type. In the absence of the Coulomb interaction, we find continuous crossover among the three limiting cases: Yu--Anderson-type Kondo regime, the double-well-type Kondo one, and the renormalized Fermi chain one. In the entire parameter space of the double-well potential, the ground state is described by a local Fermi liquid. In the Yu--Anderson-type Kondo regime, a quantum phase transition to the ground state with odd parity takes place passing through the two-channel Kondo fixed point when the Coulomb interaction increases. Therefore, the vibration of a magnetic ion in an oversized cage structure is a promising route to the two-channel Kondo effect.

Using Monte Carlo ray tracing simulations to model the quantum harmonic oscillator modes observed in uranium nitride

NASA Astrophysics Data System (ADS)

Lin, J. Y. Y.; Aczel, A. A.; Abernathy, D. L.; Nagler, S. E.; Buyers, W. J. L.; Granroth, G. E.

2014-04-01

Recently an extended series of equally spaced vibrational modes was observed in uranium nitride (UN) by performing neutron spectroscopy measurements using the ARCS and SEQUOIA time-of-flight chopper spectrometers [A. A. Aczel et al., Nat. Commun. 3, 1124 (2012), 10.1038/ncomms2117]. These modes are well described by three-dimensional isotropic quantum harmonic oscillator (QHO) behavior of the nitrogen atoms, but there are additional contributions to the scattering that complicate the measured response. In an effort to better characterize the observed neutron scattering spectrum of UN, we have performed Monte Carlo ray tracing simulations of the ARCS and SEQUOIA experiments with various sample kernels, accounting for nitrogen QHO scattering, contributions that arise from the acoustic portion of the partial phonon density of states, and multiple scattering. These simulations demonstrate that the U and N motions can be treated independently, and show that multiple scattering contributes an approximate Q-independent background to the spectrum at the oscillator mode positions. Temperature-dependent studies of the lowest few oscillator modes have also been made with SEQUOIA, and our simulations indicate that the T dependence of the scattering from these modes is strongly influenced by the uranium lattice.

Using Monte Carlo ray tracing simulations to model the quantum harmonic oscillator modes observed in uranium nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, J. Y. Y.; Aczel, Adam A; Abernathy, Douglas L

2014-01-01

Recently an extended series of equally spaced vibrational modes was observed in uranium nitride (UN) by performing neutron spectroscopy measurements using the ARCS and SEQUOIA time-of- flight chopper spectrometers [A.A. Aczel et al, Nature Communications 3, 1124 (2012)]. These modes are well described by 3D isotropic quantum harmonic oscillator (QHO) behavior of the nitrogen atoms, but there are additional contributions to the scattering that complicate the measured response. In an effort to better characterize the observed neutron scattering spectrum of UN, we have performed Monte Carlo ray tracing simulations of the ARCS and SEQUOIA experiments with various sample kernels, accountingmore » for the nitrogen QHO scattering, contributions that arise from the acoustic portion of the partial phonon density of states (PDOS), and multiple scattering. These simulations demonstrate that the U and N motions can be treated independently, and show that multiple scattering contributes an approximate Q-independent background to the spectrum at the oscillator mode positions. Temperature dependent studies of the lowest few oscillator modes have also been made with SEQUOIA, and our simulations indicate that the T-dependence of the scattering from these modes is strongly influenced by the uranium lattice.« less

Squeezing Enhances Quantum Synchronization.

PubMed

Sonar, Sameer; Hajdušek, Michal; Mukherjee, Manas; Fazio, Rosario; Vedral, Vlatko; Vinjanampathy, Sai; Kwek, Leong-Chuan

2018-04-20

It is desirable to observe synchronization of quantum systems in the quantum regime, defined by the low number of excitations and a highly nonclassical steady state of the self-sustained oscillator. Several existing proposals of observing synchronization in the quantum regime suffer from the fact that the noise statistics overwhelm synchronization in this regime. Here, we resolve this issue by driving a self-sustained oscillator with a squeezing Hamiltonian instead of a harmonic drive and analyze this system in the classical and quantum regime. We demonstrate that strong entrainment is possible for small values of squeezing, and in this regime, the states are nonclassical. Furthermore, we show that the quality of synchronization measured by the FWHM of the power spectrum is enhanced with squeezing.

Squeezing Enhances Quantum Synchronization

NASA Astrophysics Data System (ADS)

Sonar, Sameer; Hajdušek, Michal; Mukherjee, Manas; Fazio, Rosario; Vedral, Vlatko; Vinjanampathy, Sai; Kwek, Leong-Chuan

2018-04-01

It is desirable to observe synchronization of quantum systems in the quantum regime, defined by the low number of excitations and a highly nonclassical steady state of the self-sustained oscillator. Several existing proposals of observing synchronization in the quantum regime suffer from the fact that the noise statistics overwhelm synchronization in this regime. Here, we resolve this issue by driving a self-sustained oscillator with a squeezing Hamiltonian instead of a harmonic drive and analyze this system in the classical and quantum regime. We demonstrate that strong entrainment is possible for small values of squeezing, and in this regime, the states are nonclassical. Furthermore, we show that the quality of synchronization measured by the FWHM of the power spectrum is enhanced with squeezing.

THz Acoustic Spectroscopy by using Double Quantum Wells and Ultrafast Optical Spectroscopy.

PubMed

Wei, Fan Jun; Yeh, Yu-Hsiang; Sheu, Jinn-Kong; Lin, Kung-Hsuan

2016-06-27

GaN is a pivotal material for acoustic transducers and acoustic spectroscopy in the THz regime, but its THz phonon properties have not been experimentally and comprehensively studied. In this report, we demonstrate how to use double quantum wells as a THz acoustic transducer for measuring generated acoustic phonons and deriving a broadband acoustic spectrum with continuous frequencies. We experimentally investigated the sub-THz frequency dependence of acoustic attenuation (i.e., phonon mean-free paths) in GaN, in addition to its physical origins such as anharmonic scattering, defect scattering, and boundary scattering. A new upper limit of attenuation caused by anharmonic scattering, which is lower than previously reported values, was obtained. Our results should be noteworthy for THz acoustic spectroscopy and for gaining a fundamental understanding of heat conduction.

Photoemission intensity oscillations from quantum-well states in the Ag/V(100) overlayer system

NASA Astrophysics Data System (ADS)

Milun, M.; Pervan, P.; Gumhalter, B.; Woodruff, D. P.

1999-02-01

Extensive measurements have been made of the photoemission intensities recorded along the surface normal from quantum-well (QW) states of pseudomorphic Ag layers on V(100) in thicknesses from 1-7 ML as a function of photon energy in the range 15-45 eV. In all cases the QW states lead to intense peaks in the photoemission spectra which show strong oscillations in intensity with photon energy, the energy period of the oscillations becoming shorter as the films become thicker. These effects are explained in terms of interference of surface and interfaces photoemission from the sharp changes in potential at the well boundaries, and a semiquantitative description is achieved via calculations based on a simple asymmetric square-well description in the Adawi formulation of surface photoemission. An alternative picture in which intensity peaks are predicted to correspond to the conditions for direct transitions from bulk states of the overlayer material at the same initial-state energy is shown to be in direct contradiction with some of our observations. The reason for this failure, and the relationship of alternative views of the physical processes, are discussed.

Anharmonic vibrational analysis of s-trans and s-cis conformers of acryloyl fluoride using numerical-analytic Van Vleck operator perturbation theory

NASA Astrophysics Data System (ADS)

Krasnoshchekov, Sergey V.; Craig, Norman C.; Koroleva, Lidiya A.; Stepanov, Nikolay F.

2018-01-01

A new gas-phase infrared (IR) spectrum of acryloyl fluoride (ACRF, CH2dbnd CHsbnd CFdbnd O) with a resolution of 0.1 cm- 1 in the range 4000-450 cm- 1 was measured. Theoretical ab initio molecular structures, full quartic potential energy surfaces (PES), and cubic surfaces of dipole moments and polarizability tensor components (electro-optical properties, EOP) of the s-trans and s-cis conformers of the ACRF were calculated by the second-order Møller-Plesset electronic perturbation theory with a correlation consistent Dunning triple-ζ basis set. The numerical-analytic implementation of the second-order operator canonical Van Vleck perturbation theory was employed for predicting anharmonic IR and Raman scattering (RS) spectra of ACRF. To improve the anharmonic predictions, harmonic frequencies were replaced by their counterparts evaluated with the higher-level CCSD(T)/cc-pVTZ model, to form a ;hybrid; PES. The original operator representation of the Hamiltonian is analytically reduced to a quasi-diagonal form, integrated in the harmonic oscillator basis and diagonalized to account for strong resonance couplings. Double canonical transformations of EOP expansions enabled prediction of integral intensities of both fundamental and multi-quanta transitions in IR/RS spectra. Enhanced band shape analysis reinforced the assignments. A thorough interpretation of the new IR experimental spectra and existing matrix-isolation literature data for the mixture of two conformers of ACRF was accomplished, and a number of assignments clarified.

Orbitally driven giant phonon anharmonicity in SnSe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C. W.; Hong, J.; May, A. F.

Understanding elementary excitations and their couplings in condensed matter systems is critical for developing better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The current record material for thermoelectric conversion efficiency, SnSe, has an ultralow thermal conductivity, but the mechanism behind the strong phonon scattering remains largely unknown. From inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and found the origin of the ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that themore » giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. The present results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers new insights on how electron–phonon and phonon–phonon interactions may lead to the realization of ultralow thermal conductivity.« less

Precision thermometry and the quantum speed limit

NASA Astrophysics Data System (ADS)

Campbell, Steve; Genoni, Marco G.; Deffner, Sebastian

2018-04-01

We assess precision thermometry for an arbitrary single quantum system. For a d-dimensional harmonic system we show that the gap sets a single temperature that can be optimally estimated. Furthermore, we establish a simple linear relationship between the gap and this temperature, and show that the precision exhibits a quadratic relationship. We extend our analysis to explore systems with arbitrary spectra, showing that exploiting anharmonicity and degeneracy can greatly enhance the precision of thermometry. Finally, we critically assess the dynamical features of two thermometry protocols for a two level system. By calculating the quantum speed limit we find that, despite the gap fixing a preferred temperature to probe, there is no evidence of this emerging in the dynamical features.

Power spectra and auto correlation analysis of hyperfine-induced long period oscillations in the tunneling current of coupled quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harack, B.; Leary, A.; Coish, W. A.

2013-12-04

We outline power spectra and auto correlation analysis performed on temporal oscillations in the tunneling current of coupled vertical quantum dots. The current is monitored for ∼2325 s blocks as the magnetic field is stepped through a high bias feature displaying hysteresis and switching: hallmarks of the hyperfine interaction. Quasi-periodic oscillations of ∼2 pA amplitude and of ∼100 s period are observed in the current inside the hysteretic feature. Compared to the baseline current outside the hysteretic feature the power spectral density is enhanced by up to three orders of magnitude and the auto correlation displays clear long lived oscillationsmore » about zero.« less

Isocurvature constraints and anharmonic effects on QCD axion dark matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobayashi, Takeshi; Kurematsu, Ryosuke; Takahashi, Fuminobu, E-mail: takeshi@cita.utoronto.ca, E-mail: rkurematsu@tuhep.phys.tohoku.ac.jp, E-mail: fumi@tuhep.phys.tohoku.ac.jp

2013-09-01

We revisit the isocurvature density perturbations induced by quantum fluctuations of the axion field by extending a recently developed analytic method and approximations to a time-dependent scalar potential, which enables us to follow the evolution of the axion until it starts to oscillate. We find that, as the initial misalignment angle approaches the hilltop of the potential, the isocurvature perturbations become significantly enhanced, while the non-Gaussianity parameter increases slowly but surely. As a result, the isocurvature constraint on the inflation scale is tightened as H{sub inf}∼

Synchronization enhancement of indirectly coupled oscillators via periodic modulation in an optomechanical system.

PubMed

Du, Lei; Fan, Chu-Hui; Zhang, Han-Xiao; Wu, Jin-Hui

2017-11-20

We study the synchronization behaviors of two indirectly coupled mechanical oscillators of different frequencies in a doublecavity optomechanical system. It is found that quantum synchronization is roughly vanishing though classical synchronization seems rather good when each cavity mode is driven by an external field in the absence of temporal modulations. By periodically modulating cavity detunings or driving amplitudes, however, it is possible to observe greatly enhanced quantum synchronization accompanied with nearly perfect classical synchronization. The level of quantum synchronization observed here is, in particular, much higher than that for two directly coupled mechanical oscillators. Note also that the modulation on cavity detunings is more appealing than that on driving amplitudes when the robustness of quantum synchronization is examined against the bath's mean temperature or the oscillators' frequency difference.

Anharmonic interatomic force constants and thermal conductivity from Grüneisen parameters: An application to graphene

NASA Astrophysics Data System (ADS)

Lee, Ching Hua; Gan, Chee Kwan

2017-07-01

Phonon-mediated thermal conductivity, which is of great technological relevance, arises due fundamentally to anharmonic scattering from interatomic potentials. Despite its prevalence, accurate first-principles calculations of thermal conductivity remain challenging, primarily due to the high computational cost of anharmonic interatomic force constant (IFC) calculations. Meanwhile, the related anharmonic phenomenon of thermal expansion is much more tractable, being computable from the Grüneisen parameters associated with phonon frequency shifts due to crystal deformations. In this work, we propose an approach for computing the largest cubic IFCs from the Grüneisen parameter data. This allows an approximate determination of the thermal conductivity via a much less expensive route. The key insight is that although the Grüneisen parameters cannot possibly contain all the information on the cubic IFCs, being derivable from spatially uniform deformations, they can still unambiguously and accurately determine the largest and most physically relevant ones. By fitting the anisotropic Grüneisen parameter data along judiciously designed deformations, we can deduce (i.e., reverse-engineer) the dominant cubic IFCs and estimate three-phonon scattering amplitudes. We illustrate our approach by explicitly computing the largest cubic IFCs and thermal conductivity of graphene, especially for its out-of-plane (flexural) modes that exhibit anomalously large anharmonic shifts and thermal conductivity contributions. Our calculations on graphene not only exhibit reasonable agreement with established density-functional theory results, but they also present a pedagogical opportunity for introducing an elegant analytic treatment of the Grüneisen parameters of generic two-band models. Our approach can be readily extended to more complicated crystalline materials with nontrivial anharmonic lattice effects.

On the contribution of vibrational anharmonicity to the binding energies of water clusters.

PubMed

Diri, Kadir; Myshakin, Evgeniy M; Jordan, Kenneth D

2005-05-05

The second-order vibrational perturbation theory method has been used together with the B3LYP and MP2 electronic structure methods to investigate the effects of anharmonicity on the vibrational zero-point energy (ZPE) contributions to the binding energies of (H2O)n, n = 2-6, clusters. For the low-lying isomers of (H2O)6, the anharmonicity correction to the binding energy is calculated to range from -248 to -355 cm(-1). It is also demonstrated that although high-order electron correlation effects are important for the individual vibrational frequencies, they are relatively unimportant for the net ZPE contributions to the binding energies of water clusters.

On the statistical distribution in a deformed solid

NASA Astrophysics Data System (ADS)

Gorobei, N. N.; Luk'yanenko, A. S.

2017-09-01

A modification of the Gibbs distribution in a thermally insulated mechanically deformed solid, where its linear dimensions (shape parameters) are excluded from statistical averaging and included among the macroscopic parameters of state alongside with the temperature, is proposed. Formally, this modification is reduced to corresponding additional conditions when calculating the statistical sum. The shape parameters and the temperature themselves are found from the conditions of mechanical and thermal equilibria of a body, and their change is determined using the first law of thermodynamics. Known thermodynamic phenomena are analyzed for the simple model of a solid, i.e., an ensemble of anharmonic oscillators, within the proposed formalism with an accuracy of up to the first order by the anharmonicity constant. The distribution modification is considered for the classic and quantum temperature regions apart.

Aharonov-Bohm Oscillations in Singly Connected Disordered Conductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aleiner, I. L.; Andreev, A. V.; Vinokur, V.

2015-02-01

We show that transport and thermodynamic properties of singly-connected disordered conductors exhibit quantum Aharonov - Bohm oscillations with the total magnetic flux through the system. The oscillations are associated with the interference contribution from a special class of electron trajectories confined to the surface of the sample.

Manifestation of anharmonic resonance in the interaction of intense ultrashort laser pulses with microstructured targets

NASA Astrophysics Data System (ADS)

Dalui, Malay; Kundu, M.; Madhu Trivikram, T.; Ray, Krishanu; Krishnamurthy, M.

2016-10-01

Identification of the basic processes responsible for an efficient heating of intense laser produced plasmas is one of the important features of high intensity laser matter interaction studies. Collisionless absorption due to the anharmonicity in the self-consistent electrostatic potential of the plasma, known as anharmonic resonance (AHR), has been proposed to be a basic mechanism but a clear experimental demonstration is needed. Here, we show that microstructured targets enhance X-ray emission and the polarization dependence ascribes the enhancement to anharmonic resonance heating. It is found that p-polarized pulses of 5 ×1017 W/cm2 intensity bring in a 16-fold enhancement in the X-ray emission in the energy range 20-350 keV compared to s-polarized pulses with microstructured targets. This ratio is 2 for the case of polished targets under otherwise identical conditions. Particle-in-cell simulations clearly show that AHR is the key absorption mechanism responsible for this effect.

Zeno effect in quantum Newton's cradle

NASA Astrophysics Data System (ADS)

Barros Hito, C. M.; Silva, M. B. E.; Bosco de Magalhães, A. R.

2018-04-01

We describe a chain of quantum oscillators which behaves analogously to Newton's cradle. The energy swings between the ends of the chain with very low population in its interior. Moreover, the oscillators at the ends can entangle with each other with negligible entanglement with the intermediate oscillators that mediate the process. Up to a certain number of oscillators, the system evolves in a manner similar to two coupled oscillators. The conditions for such behavior and the characteristic periods are analyzed. When that number exceeds a threshold, the dynamical regime changes to virtually freezing. In the oscillatory regime, Zeno effect can be observed. The parallelism between the Zeno dynamics in quantum Newton's cradle and in two coupled oscillators is highlighted. Promising platforms to observe such phenomena in the laboratory are cavities in photonic-band-gap material and trapped ions.

Temperature dependence of Coulomb oscillations in a few-layer two-dimensional WS2 quantum dot.

PubMed

Song, Xiang-Xiang; Zhang, Zhuo-Zhi; You, Jie; Liu, Di; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Guo, Guo-Ping

2015-11-05

Standard semiconductor fabrication techniques are used to fabricate a quantum dot (QD) made of WS2, where Coulomb oscillations were found. The full-width-at-half-maximum of the Coulomb peaks increases linearly with temperature while the height of the peaks remains almost independent of temperature, which is consistent with standard semiconductor QD theory. Unlike graphene etched QDs, where Coulomb peaks belonging to the same QD can have different temperature dependences, these results indicate the absence of the disordered confining potential. This difference in the potential-forming mechanism between graphene etched QDs and WS2 QDs may be the reason for the larger potential fluctuation found in graphene QDs.

Temperature dependence of Coulomb oscillations in a few-layer two-dimensional WS2 quantum dot

PubMed Central

Song, Xiang-Xiang; Zhang, Zhuo-Zhi; You, Jie; Liu, Di; Li, Hai-Ou; Cao, Gang; Xiao, Ming; Guo, Guo-Ping

2015-01-01

Standard semiconductor fabrication techniques are used to fabricate a quantum dot (QD) made of WS2, where Coulomb oscillations were found. The full-width-at-half-maximum of the Coulomb peaks increases linearly with temperature while the height of the peaks remains almost independent of temperature, which is consistent with standard semiconductor QD theory. Unlike graphene etched QDs, where Coulomb peaks belonging to the same QD can have different temperature dependences, these results indicate the absence of the disordered confining potential. This difference in the potential-forming mechanism between graphene etched QDs and WS2 QDs may be the reason for the larger potential fluctuation found in graphene QDs. PMID:26538164

Localization and anharmonicity of the vibrational modes for GC Watson-Crick and Hoogsteen base pairs.

PubMed

Bende, Attila; Bogdan, Diana; Muntean, Cristina M; Morari, Cristian

2011-12-01

We present an ab initio study of the vibrational properties of cytosine and guanine in the Watson-Crick and Hoogsteen base pair configurations. The results are obtained by using two different implementations of the DFT method. We assign the vibrational frequencies to cytosine or to guanine using the vibrational density of states. Next, we investigate the importance of anharmonic corrections for the vibrational modes. In particular, the unusual anharmonic effect of the H(+) vibration in the case of the Hoogsteen base pair configuration is discussed.

On coherent oscillations of a string.

NASA Technical Reports Server (NTRS)

Liu, C. H.

1972-01-01

Vibrations of an elastic string when the separation between the ends varies randomly are studied. The emphasis is on the evolution of the coherent, or ordered, oscillations of the string. Using a perturbation technique borrowed from quantum field theory and the modified Kryloff-Bogoliuboff method, the 'multiple scattering' effect of the random separation between the ends on the linear and nonlinear coherent oscillations are investigated. It is found that due to the random interactions the coherent fundamental oscillation as well as the harmonies are damped. Their frequencies are also modified.

Path-integral approach to the Wigner-Kirkwood expansion.

PubMed

Jizba, Petr; Zatloukal, Václav

2014-01-01

We study the high-temperature behavior of quantum-mechanical path integrals. Starting from the Feynman-Kac formula, we derive a functional representation of the Wigner-Kirkwood perturbation expansion for quantum Boltzmann densities. As shown by its applications to different potentials, the presented expansion turns out to be quite efficient in generating analytic form of the higher-order expansion coefficients. To put some flesh on the bare bones, we apply the expansion to obtain basic thermodynamic functions of the one-dimensional anharmonic oscillator. Further salient issues, such as generalization to the Bloch density matrix and comparison with the more customary world-line formulation, are discussed.

A self-contained quantum harmonic engine

NASA Astrophysics Data System (ADS)

Reid, B.; Pigeon, S.; Antezza, M.; De Chiara, G.

2017-12-01

We propose a system made of three quantum harmonic oscillators as a compact quantum engine for producing mechanical work. The three oscillators play respectively the role of the hot bath, the working medium and the cold bath. The working medium performs an Otto cycle during which its frequency is changed and it is sequentially coupled to each of the two other oscillators. As the two environments are finite, the lifetime of the machine is finite and after a number of cycles it stops working and needs to be reset. Remarkably, we show that this machine can extract more than 90% of the available energy during 70 cycles. Differently from usually investigated infinite-reservoir configurations, this machine allows the protection of induced quantum correlations and we analyse the entanglement and quantum discord generated during the strokes. Interestingly, we show that high work generation is always accompanied by large quantum correlations. Our predictions can be useful for energy management at the nanoscale, and can be relevant for experiments with trapped ions and experiments with light in integrated optical circuits.

Comparison of Quantum and Classical Monte Carlo on a Simple Model Phase Transition

NASA Astrophysics Data System (ADS)

Cohen, D. E.; Cohen, R. E.

2005-12-01

Most simulations of phase transitions in minerals use classical molecular dynamics or classical Monte Carlo. However, it is known that in some cases, quantum effects are quite large, even for perovskite oxides [1]. We have studied the simplest model of a phase transition where this can be tested, that of interacting of double wells with an infinite- range interaction. The energy is E = ∑i (-A xi2 + B xi4 + ξ xi) . We used the same parameters used in a study of vibrational spectra and soft- mode behavior [4], A=0.01902, B=0.14294, ξ=0.025 in Hartree atomic units. This gives Tc of about 400 K. We varied the oscillator mass from 18 to 100. Classical Monte Carlo and path integral Monte Carlo (PIMC) were performed on this model. The maximum effect was for the lightest mass, in which PIMC gave a 75K lower Tc than the classical simulation. This is similar to the reduction in Tc observed in PIMC simulations for BaTiO3 at zero pressure [1]. We will explore the effects of varying the well depths. Shallower wells would show a greater quantum effect, as was seen in the high pressure BaTiO3 simulations, since pressure reduces the double well depths [5]. [1] Iniguez, J. & Vanderbilt, D. First-principles study of the temperature-pressure phase diagram of BaTiO3. Phys. Rev. Lett. 89, 115503 (2002). [2] Gillis, N. S. & Koehler, T. R. Phase transitions in a simple model ferroelectric-- -comparison of exact and variational treatments of a molecular-field Hamiltonian. Phys. Rev. B 9, 3806 (1974). [3] Koehler, T. R. & Gillis, N. S. Phase Transitions in a Model of Interacting Anharmonic Oscillators. Phys. Rev. B 7, 4980 (1973). [4] Flocken, J. W., Guenther, R. A., Hardy, J. R. & Boyer, L. L. Dielectric response spectrum of a damped one-dimensional double-well oscillator. Phys. Rev. B 40, 11496-11501 (1989). [5] Cohen, R. E. Origin of ferroelectricity in oxide ferroelectrics and the difference in ferroelectric behavior of BaTiO3 and PbTiO3. Nature 358, 136-138 (1992).

The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Saikat; Bansal, Dipanshu; Delaire, Olivier; Perrodin, Didier; Bourret-Courchesne, Edith; Singh, David J.; Lindsay, Lucas

2017-09-01

Strongly anharmonic phonon properties of CuCl are investigated with inelastic neutron-scattering measurements and first-principles simulations. An unusual quasiparticle spectral peak emerges in the phonon density of states with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity of CuCl is extremely low and exhibits anomalous, nonmonotonic pressure dependence. We show how this behavior arises from the structure of the phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. These results demonstrate the importance of considering intrinsic phonon-dispersion structure toward understanding scattering processes and designing new ultralow thermal conductivity materials.

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

PubMed

Sumner, Isaiah; Iyengar, Srinivasan S

2007-10-18

We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

Oscillations in a simple climate-vegetation model

NASA Astrophysics Data System (ADS)

Rombouts, J.; Ghil, M.

2015-05-01

We formulate and analyze a simple dynamical systems model for climate-vegetation interaction. The planet we consider consists of a large ocean and a land surface on which vegetation can grow. The temperature affects vegetation growth on land and the amount of sea ice on the ocean. Conversely, vegetation and sea ice change the albedo of the planet, which in turn changes its energy balance and hence the temperature evolution. Our highly idealized, conceptual model is governed by two nonlinear, coupled ordinary differential equations, one for global temperature, the other for vegetation cover. The model exhibits either bistability between a vegetated and a desert state or oscillatory behavior. The oscillations arise through a Hopf bifurcation off the vegetated state, when the death rate of vegetation is low enough. These oscillations are anharmonic and exhibit a sawtooth shape that is characteristic of relaxation oscillations, as well as suggestive of the sharp deglaciations of the Quaternary. Our model's behavior can be compared, on the one hand, with the bistability of even simpler, Daisyworld-style climate-vegetation models. On the other hand, it can be integrated into the hierarchy of models trying to simulate and explain oscillatory behavior in the climate system. Rigorous mathematical results are obtained that link the nature of the feedbacks with the nature and the stability of the solutions. The relevance of model results to climate variability on various timescales is discussed.

Oscillations in a simple climate-vegetation model

NASA Astrophysics Data System (ADS)

Rombouts, J.; Ghil, M.

2015-02-01

We formulate and analyze a simple dynamical systems model for climate-vegetation interaction. The planet we consider consists of a large ocean and a land surface on which vegetation can grow. The temperature affects vegetation growth on land and the amount of sea ice on the ocean. Conversely, vegetation and sea ice change the albedo of the planet, which in turn changes its energy balance and hence the temperature evolution. Our highly idealized, conceptual model is governed by two nonlinear, coupled ordinary differential equations, one for global temperature, the other for vegetation cover. The model exhibits either bistability between a vegetated and a desert state or oscillatory behavior. The oscillations arise through a Hopf bifurcation off the vegetated state, when the death rate of vegetation is low enough. These oscillations are anharmonic and exhibit a sawtooth shape that is characteristic of relaxation oscillations, as well as suggestive of the sharp deglaciations of the Quaternary. Our model's behavior can be compared, on the one hand, with the bistability of even simpler, Daisyworld-style climate-vegetation models. On the other hand, it can be integrated into the hierarchy of models trying to simulate and explain oscillatory behavior in the climate system. Rigorous mathematical results are obtained that link the nature of the feedbacks with the nature and the stability of the solutions. The relevance of model results to climate variability on various time scales is discussed.

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

PubMed

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

Traveling solitons in long-range oscillator chains

NASA Astrophysics Data System (ADS)

Miloshevich, George; Nguenang, Jean Pierre; Dauxois, Thierry; Khomeriki, Ramaz; Ruffo, Stefano

2017-03-01

We investigate the existence and propagation of solitons in a long-range extension of the quartic Fermi-Pasta-Ulam (FPU) chain of anharmonic oscillators. The coupling in the linear term decays as a power-law with an exponent 1<α ≤slant 3 . We obtain an analytic perturbative expression of traveling envelope solitons by introducing a non linear Schrödinger equation for the slowly varying amplitude of short wavelength modes. Due to the non analytic properties of the dispersion relation, it is crucial to develop the theory using discrete difference operators. Those properties are also the ultimate reason why kink-solitons may exist but are unstable, at variance with the short-range FPU model. We successfully compare these approximate analytic results with numerical simulations for the value α =2 which was chosen as a case study.

High Visibility Coherent Oscillations in a Si/SiGe Quantum Dot Hybrid Qubit

NASA Astrophysics Data System (ADS)

Eriksson, Mark

2014-03-01

We discuss measurement and manipulation of a quantum dot hybrid qubit formed in a Si/SiGe heterostructure. X-rotations on the Bloch sphere are performed by pulsing a gate voltage so that the detuning of a double quantum dot makes the (1,2) and (2,1) occupation ground states degenerate. The resulting rotation rate is approximately 5 GHz and reveals an experimentally measured visibilty greater than 80 percent. Z-rotations on the Bloch sphere are performed by pulsing a gate voltage away from the (1,2)-(2,1) degeneracy point, resulting in oscillations at a rate of approximately 10 GHz and measured visibility greater than 85 percent. The T2* time at this detuning is greater than 15 ns, many times longer than the 100 ps gate operation time. In part because of the large ratio between the gate time and the dephasing time, improvements in the pulses used in the experiment are expected to enhance the visibility beyond that reported here and to enable high fidelity quantum gates. This work was supported in part by ARO (W911NF-12-0607), NSF (DMR-1206915), and the United States Department of Defense. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressly or implied, of the US Government. This work was performed in collaboration with Dohun Kim, Zhan Shi, C. B. Simmons, D. R. Ward, J. R. Prance, Xian Wu, R. T. Mohr, Teck Seng Koh, John King Gamble, Ryan Foote, D. E. Savage, M. G. Lagally, Mark Friesen, and S. N. Coppersmith.

Anharmonic Vibrational Spectroscopy of the F-(H20)n, complexes, n=1,2

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Xantheas, Sotiris; Gerber, R. Benny; Kwak, Dochan (Technical Monitor)

2003-01-01

We report anharmonic vibrational spectra (fundamentals, first overtones) for the F-(H(sub 2)O) and F-(H(sub 2)O)2 clusters computed at the MP2 and CCSD(T) levels of theory with basis sets of triple zeta quality. Anharmonic corrections were estimated via the correlation-corrected vibrational self-consistent field (CC-VSCF) method. The CC-VSCF anharmonic spectra obtained on the potential energy surfaces evaluated at the CCSD(T) level of theory are the first ones reported at a correlated level beyond MP2. We have found that the average basis set effect (TZP vs. aug-cc-pVTZ) is on the order of 30-40 cm(exp -1), whereas the effects of different levels of electron correlation [MP2 vs. CCSD(T)] are smaller, 20-30 cm(exp -1). However, the basis set effect is much larger in the case of the H-bonded O-H stretch of the F-(H(sub 2)O) cluster amounting to 100 cm(exp -1) for the fundamentals and 200 cm (exp -1) for the first overtones. Our calculations are in agreement with the limited available set of experimental data for the F-(H(sub 2)O) and F-(H(sub 2)O)2 systems and provide additional information that can guide further experimental studies.

Quantum demultiplexer of quantum parameter-estimation information in quantum networks

NASA Astrophysics Data System (ADS)

Xie, Yanqing; Huang, Yumeng; Wu, Yinzhong; Hao, Xiang

2018-05-01

The quantum demultiplexer is constructed by a series of unitary operators and multipartite entangled states. It is used to realize information broadcasting from an input node to multiple output nodes in quantum networks. The scheme of quantum network communication with respect to phase estimation is put forward through the demultiplexer subjected to amplitude damping noises. The generalized partial measurements can be applied to protect the transferring efficiency from environmental noises in the protocol. It is found out that there are some optimal coherent states which can be prepared to enhance the transmission of phase estimation. The dynamics of state fidelity and quantum Fisher information are investigated to evaluate the feasibility of the network communication. While the state fidelity deteriorates rapidly, the quantum Fisher information can be enhanced to a maximum value and then decreases slowly. The memory effect of the environment induces the oscillations of fidelity and quantum Fisher information. The adjustment of the strength of partial measurements is helpful to increase quantum Fisher information.

Cooling a quantum oscillator: A useful analogy to understand laser cooling as a thermodynamical process

NASA Astrophysics Data System (ADS)

Freitas, Nahuel; Paz, Juan Pablo

2018-03-01

We analyze the lowest achievable temperature for a mechanical oscillator coupled with a quantum refrigerator composed of a parametrically driven system that is in contact with a bosonic reservoir where the energy is dumped. We show that the cooling of the oscillator (achieved by the resonant transport of its phonon excitations into the environment) is always stopped by a fundamental heating process that is dominant at sufficiently low temperatures. This process can be described as the nonresonant production of excitation pairs. This result is in close analogy with the recent study that showed that pair production is responsible for enforcing the validity of the dynamical version of the third law of thermodynamics [Phys. Rev. E 95, 012146 (2017), 10.1103/PhysRevE.95.012146]. Interestingly, we relate our model to the ones used to describe laser cooling of a single trapped ion reobtaining the correct limiting temperatures for the regimes of resolved and nonresolved sidebands. We show that the limiting temperature for laser cooling is achieved when the cooling transitions induced by the resonant transport of excitations from the motion into the electromagnetic environment is compensated by the heating transitions induced by the creation of phonon-photon pairs.

On harmonic oscillators and their Kemmer relativistic forms

NASA Technical Reports Server (NTRS)

Debergh, Nathalie; Beckers, Jules

1993-01-01

It is shown that Dirac (Kemmer) equations are intimately connected with (para)supercharges coming from (para)supersymmetric quantum mechanics, a nonrelativistic theory. The dimensions of the irreducible representations of Clifford (Kemmer) algebras play a fundamental role in such an analysis. These considerations are illustrated through oscillator like interactions, leading to (para)relativistic oscillators.

Measurement-based control of a mechanical oscillator at its thermal decoherence rate.

PubMed

Wilson, D J; Sudhir, V; Piro, N; Schilling, R; Ghadimi, A; Kippenberg, T J

2015-08-20

In real-time quantum feedback protocols, the record of a continuous measurement is used to stabilize a desired quantum state. Recent years have seen successful applications of these protocols in a variety of well-isolated micro-systems, including microwave photons and superconducting qubits. However, stabilizing the quantum state of a tangibly massive object, such as a mechanical oscillator, remains very challenging: the main obstacle is environmental decoherence, which places stringent requirements on the timescale in which the state must be measured. Here we describe a position sensor that is capable of resolving the zero-point motion of a solid-state, 4.3-megahertz nanomechanical oscillator in the timescale of its thermal decoherence, a basic requirement for real-time (Markovian) quantum feedback control tasks, such as ground-state preparation. The sensor is based on evanescent optomechanical coupling to a high-Q microcavity, and achieves an imprecision four orders of magnitude below that at the standard quantum limit for a weak continuous position measurement--a 100-fold improvement over previous reports--while maintaining an imprecision-back-action product that is within a factor of five of the Heisenberg uncertainty limit. As a demonstration of its utility, we use the measurement as an error signal with which to feedback cool the oscillator. Using radiation pressure as an actuator, the oscillator is cold damped with high efficiency: from a cryogenic-bath temperature of 4.4 kelvin to an effective value of 1.1 ± 0.1 millikelvin, corresponding to a mean phonon number of 5.3 ± 0.6 (that is, a ground-state probability of 16 per cent). Our results set a new benchmark for the performance of a linear position sensor, and signal the emergence of mechanical oscillators as practical subjects for measurement-based quantum control.

Quantum back-action-evading measurement of motion in a negative mass reference frame

NASA Astrophysics Data System (ADS)

Møller, Christoffer B.; Thomas, Rodrigo A.; Vasilakis, Georgios; Zeuthen, Emil; Tsaturyan, Yeghishe; Balabas, Mikhail; Jensen, Kasper; Schliesser, Albert; Hammerer, Klemens; Polzik, Eugene S.

2017-07-01

Quantum mechanics dictates that a continuous measurement of the position of an object imposes a random quantum back-action (QBA) perturbation on its momentum. This randomness translates with time into position uncertainty, thus leading to the well known uncertainty on the measurement of motion. As a consequence of this randomness, and in accordance with the Heisenberg uncertainty principle, the QBA puts a limitation—the so-called standard quantum limit—on the precision of sensing of position, velocity and acceleration. Here we show that QBA on a macroscopic mechanical oscillator can be evaded if the measurement of motion is conducted in the reference frame of an atomic spin oscillator. The collective quantum measurement on this hybrid system of two distant and disparate oscillators is performed with light. The mechanical oscillator is a vibrational ‘drum’ mode of a millimetre-sized dielectric membrane, and the spin oscillator is an atomic ensemble in a magnetic field. The spin oriented along the field corresponds to an energetically inverted spin population and realizes a negative-effective-mass oscillator, while the opposite orientation corresponds to an oscillator with positive effective mass. The QBA is suppressed by -1.8 decibels in the negative-mass setting and enhanced by 2.4 decibels in the positive-mass case. This hybrid quantum system paves the way to entanglement generation and distant quantum communication between mechanical and spin systems and to sensing of force, motion and gravity beyond the standard quantum limit.

Quantum back-action-evading measurement of motion in a negative mass reference frame.

PubMed

Møller, Christoffer B; Thomas, Rodrigo A; Vasilakis, Georgios; Zeuthen, Emil; Tsaturyan, Yeghishe; Balabas, Mikhail; Jensen, Kasper; Schliesser, Albert; Hammerer, Klemens; Polzik, Eugene S

2017-07-12

Quantum mechanics dictates that a continuous measurement of the position of an object imposes a random quantum back-action (QBA) perturbation on its momentum. This randomness translates with time into position uncertainty, thus leading to the well known uncertainty on the measurement of motion. As a consequence of this randomness, and in accordance with the Heisenberg uncertainty principle, the QBA puts a limitation-the so-called standard quantum limit-on the precision of sensing of position, velocity and acceleration. Here we show that QBA on a macroscopic mechanical oscillator can be evaded if the measurement of motion is conducted in the reference frame of an atomic spin oscillator. The collective quantum measurement on this hybrid system of two distant and disparate oscillators is performed with light. The mechanical oscillator is a vibrational 'drum' mode of a millimetre-sized dielectric membrane, and the spin oscillator is an atomic ensemble in a magnetic field. The spin oriented along the field corresponds to an energetically inverted spin population and realizes a negative-effective-mass oscillator, while the opposite orientation corresponds to an oscillator with positive effective mass. The QBA is suppressed by -1.8 decibels in the negative-mass setting and enhanced by 2.4 decibels in the positive-mass case. This hybrid quantum system paves the way to entanglement generation and distant quantum communication between mechanical and spin systems and to sensing of force, motion and gravity beyond the standard quantum limit.

Transition state theory for activated systems with driven anharmonic barriers.

PubMed

Revuelta, F; Craven, Galen T; Bartsch, Thomas; Borondo, F; Benito, R M; Hernandez, Rigoberto

2017-08-21

Classical transition state theory has been extended to address chemical reactions across barriers that are driven and anharmonic. This resolves a challenge to the naive theory that necessarily leads to recrossings and approximate rates because it relies on a fixed dividing surface. We develop both perturbative and numerical methods for the computation of a time-dependent recrossing-free dividing surface for a model anharmonic system in a solvated environment that interacts strongly with an oscillatory external field. We extend our previous work, which relied either on a harmonic approximation or on periodic force driving. We demonstrate that the reaction rate, expressed as the long-time flux of reactive trajectories, can be extracted directly from the stability exponents, namely, Lyapunov exponents, of the moving dividing surface. Comparison to numerical results demonstrates the accuracy and robustness of this approach for the computation of optimal (recrossing-free) dividing surfaces and reaction rates in systems with Markovian solvation forces. The resulting reaction rates are in strong agreement with those determined from the long-time flux of reactive trajectories.

Entanglement dynamics in short- and long-range harmonic oscillators

NASA Astrophysics Data System (ADS)

Nezhadhaghighi, M. Ghasemi; Rajabpour, M. A.

2014-11-01

We study the time evolution of the entanglement entropy in the short- and long-range-coupled harmonic oscillators that have well-defined continuum limit field theories. We first introduce a method to calculate the entanglement evolution in generic coupled harmonic oscillators after quantum quench. Then we study the entanglement evolution after quantum quench in harmonic systems in which the couplings decay effectively as 1 /rd +α with the distance r . After quenching the mass from a nonzero value to zero we calculate numerically the time evolution of von Neumann and Rényi entropies. We show that for 1 <α <2 we have a linear growth of entanglement and then saturation independent of the initial state. For 0 <α <1 depending on the initial state we can have logarithmic growth or just fluctuation of entanglement. We also calculate the mutual information dynamics of two separated individual harmonic oscillators. Our findings suggest that in our system there is no particular connection between having a linear growth of entanglement after quantum quench and having a maximum group velocity or generalized Lieb-Robinson bound.

Quantum annealing with parametrically driven nonlinear oscillators

NASA Astrophysics Data System (ADS)

Puri, Shruti

While progress has been made towards building Ising machines to solve hard combinatorial optimization problems, quantum speedups have so far been elusive. Furthermore, protecting annealers against decoherence and achieving long-range connectivity remain important outstanding challenges. With the hope of overcoming these challenges, I introduce a new paradigm for quantum annealing that relies on continuous variable states. Unlike the more conventional approach based on two-level systems, in this approach, quantum information is encoded in two coherent states that are stabilized by parametrically driving a nonlinear resonator. I will show that a fully connected Ising problem can be mapped onto a network of such resonators, and outline an annealing protocol based on adiabatic quantum computing. During the protocol, the resonators in the network evolve from vacuum to coherent states representing the ground state configuration of the encoded problem. In short, the system evolves between two classical states following non-classical dynamics. As will be supported by numerical results, this new annealing paradigm leads to superior noise resilience. Finally, I will discuss a realistic circuit QED realization of an all-to-all connected network of parametrically driven nonlinear resonators. The continuous variable nature of the states in the large Hilbert space of the resonator provides new opportunities for exploring quantum phase transitions and non-stoquastic dynamics during the annealing schedule.

High key rate continuous-variable quantum key distribution with a real local oscillator.

PubMed

Wang, Tao; Huang, Peng; Zhou, Yingming; Liu, Weiqi; Ma, Hongxin; Wang, Shiyu; Zeng, Guihua

2018-02-05

Continuous-variable quantum key distribution (CVQKD) with a real local oscillator (LO) has been extensively studied recently due to its security and simplicity. In this paper, we propose a novel implementation of a high-key-rate CVQKD with a real LO. Particularly, with the help of the simultaneously generated reference pulse, the phase drift of the signal is tracked in real time and then compensated. By utilizing the time and polarization multiplexing techniques to isolate the reference pulse and controlling the intensity of it, not only the contamination from it is suppressed, but also a high accuracy of the phase compensation can be guaranteed. Besides, we employ homodyne detection on the signal to ensure the high quantum efficiency and heterodyne detection on the reference pulse to acquire the complete phase information of it. In order to suppress the excess noise, a theoretical noise model for our scheme is established. According to this model, the impact of the modulation variance and the intensity of the reference pulse are both analysed theoretically and then optimized according to the experimental data. By measuring the excess noise in the 25km optical fiber transmission system, a 3.14Mbps key rate in the asymptotic regime proves to be achievable. This work verifies the feasibility of the high-key-rate CVQKD with a real LO within the metropolitan area.

Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

DOE PAGES

Li, C. W.; Ma, J.; Cao, H. B.; ...

2014-12-29

The structure and lattice dynamics of rock-salt thermoelectric materials SnTe and PbTe are investigated with single crystal and powder neutron diffraction, inelastic neutron scattering (INS), and first-principles simulations. Our first-principles calculations of the radial distribution function (RDF) in both SnTe and PbTe show a clear asymmetry in the first nearest-neighbor (1NN) peak, which increases with temperature, in agreement with experimental reports (Ref. 1,2). We show that this peak asymmetry for the 1NN Sn–Te or Pb–Te bond results from large-amplitude anharmonic vibrations (phonons). No atomic off-centering is found in our simulations. In addition, the atomic mean square displacements derived from ourmore » diffraction data reveal stiffer bonding at the anion site, in good agreement with the partial phonon densities of states from INS, and first-principles calculations. In conclusion, these results provide clear evidence for large-amplitude anharmonic phonons associated with the resonant bonding leading to the ferroelectric instability.« less

Quantum oscillations in a bilayer with broken mirror symmetry: A minimal model for YBa 2 Cu 3 O 6 + δ

DOE PAGES

Maharaj, Akash V.; Zhang, Yi; Ramshaw, B. J.; ...

2016-03-01

Using an exact numerical solution and semiclassical analysis, we investigate quantum oscillations (QOs) in a model of a bilayer system with an anisotropic (elliptical) electron pocket in each plane. Key features of QO experiments in the high temperature superconducting cuprate YBCO can be reproduced by such a model, in particular the pattern of oscillation frequencies (which reflect “magnetic breakdown” between the two pockets) and the polar and azimuthal angular dependence of the oscillation amplitudes. However, the requisite magnetic breakdown is possible only under the assumption that the horizontal mirror plane symmetry is spontaneously broken and that the bilayer tunneling t ⊥ is substantially renormalized from its ‘bare’ value. Lastly, under the assumption that t ⊥ =more » $$\\sim\\atop{Z}_t$$ $$(0)\\atop{⊥}$$, where $$\\sim\\atop{Z}$$ is a measure of the quasiparticle weight, this suggests that $$\\sim\\atop{Z}$$ ≲ 1/20. Detailed comparisons with new YBa 2Cu 3O 6.58 QO data, taken over a very broad range of magnetic field, confirm specific predictions made by the breakdown scenario.« less

Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters.

PubMed

Georgescu, Ionuţ; Mandelshtam, Vladimir A

2012-10-14

The theory of self-consistent phonons (SCP) was originally developed to address the anharmonic effects in condensed matter systems. The method seeks a harmonic, temperature-dependent Hamiltonian that provides the "best fit" for the physical Hamiltonian, the "best fit" being defined as the one that optimizes the Helmholtz free energy at a fixed temperature. The present developments provide a scalable O(N) unified framework that accounts for anharmonic effects in a many-body system, when it is probed by either thermal (ℏ → 0) or quantum fluctuations (T → 0). In these important limits, the solution of the nonlinear SCP equations can be reached in a manner that requires only the multiplication of 3N × 3N matrices, with no need of diagonalization. For short range potentials, such as Lennard-Jones, the Hessian, and other related matrices are highly sparse, so that the scaling of the matrix multiplications can be reduced from O(N(3)) to ~O(N). We investigate the role of quantum effects by continuously varying the de-Boer quantum delocalization parameter Λ and report the N-Λ (T = 0), and also the classical N-T (Λ = 0) phase diagrams for sizes up to N ~ 10(4). Our results demonstrate that the harmonic approximation becomes inadequate already for such weakly quantum systems as neon clusters, or for classical systems much below the melting temperatures.

The degenerate parametric oscillator and Ince's equation

NASA Astrophysics Data System (ADS)

Cordero-Soto, Ricardo; Suslov, Sergei K.

2011-01-01

We construct Green's function for the quantum degenerate parametric oscillator in the coordinate representation in terms of standard solutions of Ince's equation in a framework of a general approach to variable quadratic Hamiltonians. Exact time-dependent wavefunctions and their connections with dynamical invariants and SU(1, 1) group are also discussed. An extension to the degenerate parametric oscillator with time-dependent amplitude and phase is also mentioned.

Non-Markovian Complexity in the Quantum-to-Classical Transition

PubMed Central

Xiong, Heng-Na; Lo, Ping-Yuan; Zhang, Wei-Min; Feng, Da Hsuan; Nori, Franco

2015-01-01

The quantum-to-classical transition is due to environment-induced decoherence, and it depicts how classical dynamics emerges from quantum systems. Previously, the quantum-to-classical transition has mainly been described with memory-less (Markovian) quantum processes. Here we study the complexity of the quantum-to-classical transition through general non-Markovian memory processes. That is, the influence of various reservoirs results in a given initial quantum state evolving into one of the following four scenarios: thermal state, thermal-like state, quantum steady state, or oscillating quantum nonstationary state. In the latter two scenarios, the system maintains partial or full quantum coherence due to the strong non-Markovian memory effect, so that in these cases, the quantum-to-classical transition never occurs. This unexpected new feature provides a new avenue for the development of future quantum technologies because the remaining quantum oscillations in steady states are decoherence-free. PMID:26303002

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-Methylacetamide

NASA Technical Reports Server (NTRS)

Gregurick, Susan K.; Chaban, Galina M.; Gerber, R. Benny; Kwak, Dochou (Technical Monitor)

2001-01-01

The second-order Moller-Plesset ab initio electronic structure method is used to compute points for the anharmonic mode-coupled potential energy surface of N-methylacetamide (NMA) in the trans(sub ct) configuration, including all degrees of freedom. The vibrational states and the spectroscopy are directly computed from this potential surface using the Correlation Corrected Vibrational Self-Consistent Field (CC-VSCF) method. The results are compared with CC-VSCF calculations using both the standard and improved empirical Amber-like force fields and available low temperature experimental matrix data. Analysis of our calculated spectroscopic results show that: (1) The excellent agreement between the ab initio CC-VSCF calculated frequencies and the experimental data suggest that the computed anharmonic potentials for N-methylacetamide are of a very high quality; (2) For most transitions, the vibrational frequencies obtained from the ab initio CC-VSCF method are superior to those obtained using the empirical CC-VSCF methods, when compared with experimental data. However, the improved empirical force field yields better agreement with the experimental frequencies as compared with a standard AMBER-type force field; (3) The empirical force field in particular overestimates anharmonic couplings for the amide-2 mode, the methyl asymmetric bending modes, the out-of-plane methyl bending modes, and the methyl distortions; (4) Disagreement between the ab initio and empirical anharmonic couplings is greater than the disagreement between the frequencies, and thus the anharmonic part of the empirical potential seems to be less accurate than the harmonic contribution;and (5) Both the empirical and ab initio CC-VSCF calculations predict a negligible anharmonic coupling between the amide-1 and other internal modes. The implication of this is that the intramolecular energy flow between the amide-1 and the other internal modes may be smaller than anticipated. These results may have

Sub-terahertz and terahertz microstrip resonant-tunneling-diode oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feiginov, Michael, E-mail: feiginov.michael@canon.co.jp

We present a theoretical analysis of traveling-wave microstrip resonant-tunneling-diode (RTD) oscillators. Such oscillators are similar to terahertz (THz) quantum-cascade lasers (QCLs) with a metal-metal waveguide and with just the active part of a single QCL period (an RTD) as their active core. Assuming realistic parameters of RTDs, we show that the microstrip RTD oscillators should be working at sub-THz and THz frequencies. Contrary to the contemporary THz QCLs, RTD microstrips are room-temperature oscillators. The major loss- and gain-enhancement mechanisms in RTD microstrips are identified.

Anomalous Coulomb oscillation in crossed carbon nanotubes

NASA Astrophysics Data System (ADS)

Baek, Seung Jae; Lee, Dongsu; Park, Seung Joo; Park, Yung Woo; Svensson, Johannes; Jonson, Mats; Campbell, Eleanor E. B.

2008-03-01

Single-walled carbon nanotube (SWCNT) crossed junctions separated by an insulating layer were fabricated to investigate the double quantum dot modulated by a single gate (DQD-sG). Anomalous Coulomb oscillations were observed on the lower CNT at low temperature, where the behavior was interpreted by the concept of a double quantum dot (DQD) system http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id =APPLAB000089000023233107000001&idtype=cvips&gifs=yes [1]. To understand it more clearly, we have intentionally fabricated crossed CNTs without oxide layer in between. The observed anomalous Coulomb oscillations indicate that the contact resistance between the two tubes becomes a potential barrier splitting the initial single QD into the DQD, and the back-gate modulates the energy levels of the DQD.

Anharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations.

PubMed

Otaki, Hiroki; Yagi, Kiyoshi; Ishiuchi, Shun-Ichi; Fujii, Masaaki; Sugita, Yuji

2016-10-06

An accurate theoretical prediction of the vibrational spectrum of polypeptides remains to be a challenge due to (1) their conformational flexibility and (2) non-negligible anharmonic effects. The former makes the search for conformers that contribute to the spectrum difficult, and the latter requires an expensive, quantum mechanical calculation for both electrons and vibrations. Here, we propose a new theoretical approach, which implements an enhanced conformational sampling by the replica-exchange molecular dynamics method, a structural clustering to identify distinct conformations, and a vibrational structure calculation by the second-order vibrational quasi-degenerate perturbation theory (VQDPT2). A systematic mode-selection scheme is developed to reduce the cost of VQDPT2 and the generation of a potential energy surface by the electronic structure calculation. The proposed method is applied to a pentapeptide, SIVSF-NH 2 , for which the infrared spectrum has recently been measured in the gas phase with high resolution in the OH and NH stretching region. The theoretical spectrum of the lowest energy conformer is obtained with a mean absolute deviation of 11.2 cm -1 from the experimental spectrum. Furthermore, the NH stretching frequencies of the five lowest energy conformers are found to be consistent with the literature values measured for small peptides with a similar secondary structure. Therefore, the proposed method is a promising way to analyze the vibrational spectrum of polypeptides.

Adiabatic and nonadiabatic perturbation theory for coherence vector description of neutrino oscillations

NASA Astrophysics Data System (ADS)

Hollenberg, Sebastian; Päs, Heinrich

2012-01-01

The standard wave function approach for the treatment of neutrino oscillations fails in situations where quantum ensembles at a finite temperature with or without an interacting background plasma are encountered. As a first step to treat such phenomena in a novel way, we propose a unified approach to both adiabatic and nonadiabatic two-flavor oscillations in neutrino ensembles with finite temperature and generic (e.g., matter) potentials. Neglecting effects of ensemble decoherence for now, we study the evolution of a neutrino ensemble governed by the associated quantum kinetic equations, which apply to systems with finite temperature. The quantum kinetic equations are solved formally using the Magnus expansion and it is shown that a convenient choice of the quantum mechanical picture (e.g., the interaction picture) reveals suitable parameters to characterize the physics of the underlying system (e.g., an effective oscillation length). It is understood that this method also provides a promising starting point for the treatment of the more general case in which decoherence is taken into account.

Nuclear quantum effects on adsorption of H2 and isotopologues on metal ions

NASA Astrophysics Data System (ADS)

Savchenko, Ievgeniia; Gu, Bing; Heine, Thomas; Jakowski, Jacek; Garashchuk, Sophya

2017-02-01

The nuclear quantum effects on the zero-point energy (ZPE), influencing adsorption of H2 and isotopologues on metal ions, are examined using normal mode analysis of ab initio electronic structure results for complexes with 17 metal cations. The lightest metallic nuclei, Li and Be, are found to be the most 'quantum'. The largest selectivity in adsorption is predicted for Cu, Ni and Co ions. Analysis of the nuclear wavepacket dynamics on the ground state electronic potential energy surfaces (PES) performed for complexes of Li+ and Cu+2 with H2/D2/HD shows that the PES anharmonicity changes the ZPE by up to 9%.

Superfluid helium quantum interference devices: physics and applications.

PubMed

Sato, Y; Packard, R E

2012-01-01

We present an overview of recent developments related to superfluid helium quantum interference devices (SHeQUIDs). We discuss the physics of two reservoirs of superfluid helium coupled together and describe the quantum oscillations that result from varying the coupling strength. We explain the principles behind SHeQUIDs that can be built based on these oscillations and review some techniques and applications.

Quantum light in novel systems

NASA Astrophysics Data System (ADS)

Rai, Amit

2011-12-01

In this thesis we have focused on the study of various systems which are presently widely studied in different areas of quantum optics and quantum information sciences. These, for example, include the coupled system of photonic waveguides which are known to be highly efficient in manipulating the flow of light. The Hamiltonian describing the evolution of field mode in coupled waveguides is effectively identical to the well-known tight binding Hamiltonian used in solid state physics. The advantage of waveguide system is the possibility to control various interactions by design and their low decoherence rate. The excellent stability offered by coupled waveguides has led to the observation of many key coherent effects such as quantum walk, Bloch oscillation, and discrete Talbot effect. For example, Bloch oscillations have been investigated in coupled waveguides using coherent beam of light. We wanted to inquire whether coherent phenomena such as Bloch oscillations can be possible with incoherent single photon sources. We discovered that Bloch oscillations are indeed possible with single photons provided we prepare single photons in a W state. Moreover, coupled waveguides also find applications in the field of quantum information processing. Since entanglement plays a prominent role in all these applications, it is important to understand the entanglement dynamics in these structures. We considered the case of squeezed input in one of the waveguide and showed that one can generate entanglement between the waveguide modes. We further continued our work on the entanglement generation in coupled waveguides by incorporating the effect of loss in the waveguide structure for the squeezed and photon number input states. We considered relevant experimental parameters and showed that waveguide structures are reasonably robust against the effect of loss. Another system which has attracted a great deal of interest is the optomechanical system. We consider an optomechanical system

Degeneracy of energy levels of pseudo-Gaussian oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iacob, Theodor-Felix; Iacob, Felix, E-mail: felix@physics.uvt.ro; Lute, Marina

2015-12-07

We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found.

Small systems of Duffing oscillators and the Fermi-Pasta-Ulam-Tsingou system An examination of the possible reasons for the unusual stability of localized nonlinear excitations in these systems

NASA Astrophysics Data System (ADS)

Kashyap, Rahul; Westley, Alexandra; Sen, Surajit

The Duffing oscillator, a nonlinear oscillator with a potential energy with both quadratic and cubic terms, is known to show highly chaotic solutions in certain regions of its parameter space. Here, we examine the behaviors of small chains of harmonically and anharmonically coupled Duffing oscillators and show that these chains exhibit localized nonlinear excitations (LNEs) similar to the ones seen in the Fermi-Pasta-Ulam-Tsingou (FPUT) system. These LNEs demonstrate properties such as long-time energy localization, high periodicity, and slow energy leaking which rapidly accelerates upon frequency matching with the adjacent particles all of which have been observed in the FPUT system. Furthermore, by examining bifurcation diagrams, we will show that many qualitative properties of this system during the transition from weakly to strongly nonlinear behavior depend directly upon the frequencies associated with the individual Duffing oscillators.

Understanding photoluminescence of metal nanostructures based on an oscillator model.

PubMed

Cheng, Yuqing; Zhang, Weidong; Zhao, Jingyi; Wen, Te; Hu, Aiqin; Gong, Qihuang; Lu, Guowei

2018-08-03

Scattering and absorption properties of metal nanostructures have been well understood based on the classic oscillator theory. Here, we demonstrate that photoluminescence of metal nanostructures can also be explained based on a classic model. The model shows that inelastic radiation of an oscillator resembles its resonance band after external excitation, and is related to the photoluminescence from metallic nanostructures. The understanding based on the classic oscillator model is in agreement with that predicted by a quantum electromagnetic cavity model. Moreover, by correlating a two-temperature model and the electron distributions, we demonstrate that both one-photon and two-photon luminescence of the metal nanostructures undergo the same mechanism. Furthermore, the model explains most of the emission characteristics of the metallic nanostructures, such as quantum yield, spectral shape, excitation polarization and power dependence. The model based on an oscillator provides an intuitive description of the photoluminescence process and may enable rapid optimization and exploration of the plasmonic properties.

Coherent quantum dynamics of a superconducting flux qubit.

PubMed

Chiorescu, I; Nakamura, Y; Harmans, C J P M; Mooij, J E

2003-03-21

We have observed coherent time evolution between two quantum states of a superconducting flux qubit comprising three Josephson junctions in a loop. The superposition of the two states carrying opposite macroscopic persistent currents is manipulated by resonant microwave pulses. Readout by means of switching-event measurement with an attached superconducting quantum interference device revealed quantum-state oscillations with high fidelity. Under strong microwave driving, it was possible to induce hundreds of coherent oscillations. Pulsed operations on this first sample yielded a relaxation time of 900 nanoseconds and a free-induction dephasing time of 20 nanoseconds. These results are promising for future solid-state quantum computing.

Experimental realization of Bloch oscillations in a parity-time synthetic silicon photonic lattice

PubMed Central

Xu, Ye-Long; Fegadolli, William S.; Gan, Lin; Lu, Ming-Hui; Liu, Xiao-Ping; Li, Zhi-Yuan; Scherer, Axel; Chen, Yan-Feng

2016-01-01

As an important electron transportation phenomenon, Bloch oscillations have been extensively studied in condensed matter. Due to the similarity in wave properties between electrons and other quantum particles, Bloch oscillations have been observed in atom lattices, photonic lattices, and so on. One of the many distinct advantages for choosing these systems over the regular electronic systems is the versatility in engineering artificial potentials. Here by utilizing dissipative elements in a CMOS-compatible photonic platform to create a periodic complex potential and by exploiting the emerging concept of parity-time synthetic photonics, we experimentally realize spatial Bloch oscillations in a non-Hermitian photonic system on a chip level. Our demonstration may have significant impact in the field of quantum simulation by following the recent trend of moving complicated table-top quantum optics experiments onto the fully integrated CMOS-compatible silicon platform. PMID:27095533

Image Charge and Electric Field Effects on Hydrogen-like Impurity-bound Polaron Energies and Oscillator Strengths in a Quantum Dot

NASA Astrophysics Data System (ADS)

Vardanyan, L. A.; Vartanian, A. L.; Asatryan, A. L.; Kirakosyan, A. A.

2016-11-01

By using Landau-Pekar variational method, the ground and the first excited state energies and the transition frequencies between the ground and the first excited states of a hydrogen-like impurity-bound polaron in a spherical quantum dot (QD) have been studied by taking into account the image charge effect (ICE). We employ the dielectric continuum model to describe the phonon confinement effects. The oscillator strengths (OSs) of transitions from the 1 s-like state to excited states of 2 s, 2 p x , and 2 p z symmetries are calculated as functions of the applied electric field and strength of the confinement potential. We have shown that with and without image charge effect, the increase of the strength of the parabolic confinement potential leads to the increase of the oscillator strengths of 1 s - 2 p x and 1 s - 2 p z transitions. This indicates that the energy differences between 1 s- and 2 p x - as well as 1 s- and 2 p z -like states have a dominant role determining the oscillator strength. Although there is almost no difference in the oscillator strengths for transitions 1 s - 2 p x and 1 s -2 p z when the image charge effect is not taken into account, it becomes significant with the image charge effect.

Graviton creation by small scale factor oscillations in an expanding universe

NASA Astrophysics Data System (ADS)

Schiappacasse, Enrico D.; Ford, L. H.

2016-10-01

We treat quantum creation of gravitons by small scale factor oscillations around the average of an expanding universe. Such oscillations can arise in standard general relativity due to oscillations of a homogeneous, minimally coupled scalar field. They can also arise in modified gravity theories with a term proportional to the square of the Ricci scalar in the gravitational action. The graviton wave equation is different in the two cases, leading to somewhat different creation rates. Both cases are treated using a perturbative method due to Birrell and Davies, involving an expansion in a conformal coupling parameter to calculate the number density and energy density of the created gravitons. Cosmological constraints on the present graviton energy density and the dimensionless amplitude of the oscillations are discussed. We also discuss decoherence of quantum systems produced by the spacetime geometry fluctuations due to such a graviton bath.

Coupled-oscillator theory of dispersion and Casimir-Polder interactions.

PubMed

Berman, P R; Ford, G W; Milonni, P W

2014-10-28

We address the question of the applicability of the argument theorem (of complex variable theory) to the calculation of two distinct energies: (i) the first-order dispersion interaction energy of two separated oscillators, when one of the oscillators is excited initially and (ii) the Casimir-Polder interaction of a ground-state quantum oscillator near a perfectly conducting plane. We show that the argument theorem can be used to obtain the generally accepted equation for the first-order dispersion interaction energy, which is oscillatory and varies as the inverse power of the separation r of the oscillators for separations much greater than an optical wavelength. However, for such separations, the interaction energy cannot be transformed into an integral over the positive imaginary axis. If the argument theorem is used incorrectly to relate the interaction energy to an integral over the positive imaginary axis, the interaction energy is non-oscillatory and varies as r(-4), a result found by several authors. Rather remarkably, this incorrect expression for the dispersion energy actually corresponds to the nonperturbative Casimir-Polder energy for a ground-state quantum oscillator near a perfectly conducting wall, as we show using the so-called "remarkable formula" for the free energy of an oscillator coupled to a heat bath [G. W. Ford, J. T. Lewis, and R. F. O'Connell, Phys. Rev. Lett. 55, 2273 (1985)]. A derivation of that formula from basic results of statistical mechanics and the independent oscillator model of a heat bath is presented.

Anharmonicity and hydrogen bonding in electrooptic sucrose crystal

NASA Astrophysics Data System (ADS)

Szostak, M. M.; Giermańska, J.

1990-03-01

The polarized absorption spectra of the sucrose crystal in the 5300 - 7300 cm -1 region have been measured. The assignments of all the eight OH stretching overtones are proposed and their mechanical anharmonicities are estimated. The discrepancies from the oriented gas model (OGM) in the observed relative band intensities, especially of the -CH vibrations, are assumed to be connected with vibronic couplings enhanced by the helical arrangement of molecules joined by hydrogen bondings. It seems that this kind of interactions might be important for the second harmonic generation (SHG) by the sucrose crystal.

Quantum Simulation and Quantum Sensing with Ultracold Strontium

DTIC Science & Technology

2015-09-18

quantum Kapitza pendulum , a novel Floquet system which we are investigating using modulated optical lattices. We have proposed and are developing...another goal of our AFOSR YIP project. To this end, we have developed the first theoretical treatment of a lattice-based quantum Kapitza pendulum . We have...classical single-particle analogue of this phase occurs in a rigid pendulum with an oscillating support (known as a Kapitza pendu- lum [9]). To prepare for

Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Xiaolu; Steele, Ryan P., E-mail: ryan.steele@utah.edu

This article presents a general computational approach for efficient simulations of anharmonic vibrational spectra in chemical systems. An automated local-mode vibrational approach is presented, which borrows techniques from localized molecular orbitals in electronic structure theory. This approach generates spatially localized vibrational modes, in contrast to the delocalization exhibited by canonical normal modes. The method is rigorously tested across a series of chemical systems, ranging from small molecules to large water clusters and a protonated dipeptide. It is interfaced with exact, grid-based approaches, as well as vibrational self-consistent field methods. Most significantly, this new set of reference coordinates exhibits a well-behavedmore » spatial decay of mode couplings, which allows for a systematic, a priori truncation of mode couplings and increased computational efficiency. Convergence can typically be reached by including modes within only about 4 Å. The local nature of this truncation suggests particular promise for the ab initio simulation of anharmonic vibrational motion in large systems, where connection to experimental spectra is currently most challenging.« less

Neutrino mixing, oscillations and decoherence in astrophysics and cosmology

NASA Astrophysics Data System (ADS)

Ho, Chiu Man

2007-08-01

This thesis focuses on a finite-temperature field-theoretical treatment of neutrino oscillations in hot and dense media. By implementing the methods of real-time non-equilibrium field theory, we study the dynamics of neutrino mixing, oscillations, decoherence and relaxation in astrophysical and cosmological environments. We first study neutrino oscillations in the early universe in the temperature regime prior to the epoch of Big Bang Nucleosynthesis (BBN). The dispersion relations and mixing angles in the medium are found to be helicity-dependent, and a resonance like the Mikheyev-Smirnov- Wolfenstein (MSW) effect is realized. The oscillation time scales are found to be longer near a resonance and shorter for off-resonance high-energy neutrinos. We then investigate the space-time propagation of neutrino wave-packets just before BBN. A phenomenon of " frozen coherence " is found to occur if the longitudinal dispersion catches up with the progressive separation between the mass eigenstates, before the coherence time limit has been reached. However, the transverse dispersion occurs at a much shorter scale than all other possible time scales in the medium, resulting in a large suppression in the transition probabilities from electron-neutrino to muon-neutrino. We also explore the possibility of charged lepton mixing as a consequence of neutrino mixing in the early Universe. We find that charged leptons, like electrons and muons, can mix and oscillate resonantly if there is a large lepton asymmetry in the neutrino sector. We study sterile neutrino production in the early Universe via active-sterile oscillations. We provide a quantum field theoretical reassessment of the quantum Zeno suppression on the active-to-sterile transition probability and its time average. We determine the complete conditions for quantum Zeno suppression. Finally, we examine the interplay between neutrino mixing, oscillations and equilibration in a thermal medium, and the corresponding non

Entanglement-assisted quantum feedback control

NASA Astrophysics Data System (ADS)

Yamamoto, Naoki; Mikami, Tomoaki

2017-07-01

The main advantage of quantum metrology relies on the effective use of entanglement, which indeed allows us to achieve strictly better estimation performance over the standard quantum limit. In this paper, we propose an analogous method utilizing entanglement for the purpose of feedback control. The system considered is a general linear dynamical quantum system, where the control goal can be systematically formulated as a linear quadratic Gaussian control problem based on the quantum Kalman filtering method; in this setting, an entangled input probe field is effectively used to reduce the estimation error and accordingly the control cost function. In particular, we show that, in the problem of cooling an opto-mechanical oscillator, the entanglement-assisted feedback control can lower the stationary occupation number of the oscillator below the limit attainable by the controller with a coherent probe field and furthermore beats the controller with an optimized squeezed probe field.

Wigner distribution function and entropy of the damped harmonic oscillator within the theory of the open quantum systems

NASA Technical Reports Server (NTRS)

Isar, Aurelian

1995-01-01

The harmonic oscillator with dissipation is studied within the framework of the Lindblad theory for open quantum systems. By using the Wang-Uhlenbeck method, the Fokker-Planck equation, obtained from the master equation for the density operator, is solved for the Wigner distribution function, subject to either the Gaussian type or the delta-function type of initial conditions. The obtained Wigner functions are two-dimensional Gaussians with different widths. Then a closed expression for the density operator is extracted. The entropy of the system is subsequently calculated and its temporal behavior shows that this quantity relaxes to its equilibrium value.

Nanomechanical motion measured with an imprecision below that at the standard quantum limit.

PubMed

Teufel, J D; Donner, T; Castellanos-Beltran, M A; Harlow, J W; Lehnert, K W

2009-12-01

Nanomechanical oscillators are at the heart of ultrasensitive detectors of force, mass and motion. As these detectors progress to even better sensitivity, they will encounter measurement limits imposed by the laws of quantum mechanics. If the imprecision of a measurement of the displacement of an oscillator is pushed below a scale set by the standard quantum limit, the measurement must perturb the motion of the oscillator by an amount larger than that scale. Here we show a displacement measurement with an imprecision below the standard quantum limit scale. We achieve this imprecision by measuring the motion of a nanomechanical oscillator with a nearly shot-noise limited microwave interferometer. As the interferometer is naturally operated at cryogenic temperatures, the thermal motion of the oscillator is minimized, yielding an excellent force detector with a sensitivity of 0.51 aN Hz(-1/2). This measurement is a critical step towards observing quantum behaviour in a mechanical object.

Vibrational spectroscopy of (SO42-).(H2O)n clusters, n=1-5: Harmonic and anharmonic calculations and experiment

NASA Astrophysics Data System (ADS)

Miller, Yifat; Chaban, Galina M.; Zhou, Jia; Asmis, Knut R.; Neumark, Daniel M.; Benny Gerber, R.

2007-09-01

The vibrational spectroscopy of (SO42-)•(H2O)n is studied by theoretical calculations for n =1-5, and the results are compared with experiments for n =3-5. The calculations use both ab initio MP2 and DFT/B3LYP potential energy surfaces. Both harmonic and anharmonic calculations are reported, the latter with the CC-VSCF method. The main findings are the following: (1) With one exception (H2O bending mode), the anharmonicity of the observed transitions, all in the experimental window of 540-1850cm-1, is negligible. The computed anharmonic coupling suggests that intramolecular vibrational redistribution does not play any role for the observed linewidths. (2) Comparison with experiment at the harmonic level of computed fundamental frequencies indicates that MP2 is significantly more accurate than DFT/B3LYP for these systems. (3) Strong anharmonic effects are, however, calculated for numerous transitions of these systems, which are outside the present observation window. These include fundamentals as well as combination modes. (4) Combination modes for the n=1 and n =2 clusters are computed. Several relatively strong combination transitions are predicted. These show strong anharmonic effects. (5) An interesting effect of the zero point energy (ZPE) on structure is found for (SO42-)•(H2O)5: The global minimum of the potential energy corresponds to a Cs structure, but with incorporation of ZPE the lowest energy structure is C2v, in accordance with experiment. (6) No stable structures were found for (OH-)•(HSO4-)•(H2O)n, for n ⩽5.

Detuning-Controlled Internal Oscillations in an Exciton-Polariton Condensate

NASA Astrophysics Data System (ADS)

Voronova, N. S.; Elistratov, A. A.; Lozovik, Yu. E.

2015-10-01

We theoretically analyze exciton-photon oscillatory dynamics within a homogenous polariton gas in the presence of energy detuning between the cavity and quantum well modes. Whereas pure Rabi oscillations consist of the particle exchange between the photon and exciton states in the polariton system without any oscillations of the phases of the two subcondensates, we demonstrate that any nonzero detuning results in oscillations of the relative phase of the photon and exciton macroscopic wave functions. Different initial conditions reveal a variety of behaviors of the relative phase between the two condensates, and a crossover from Rabi-like to Josephson-like oscillations is predicted.

Anharmonic Normal Mode Analysis of Elastic Network Model Improves the Modeling of Atomic Fluctuations in Protein Crystal Structures

PubMed Central

Zheng, Wenjun

2010-01-01

Abstract Protein conformational dynamics, despite its significant anharmonicity, has been widely explored by normal mode analysis (NMA) based on atomic or coarse-grained potential functions. To account for the anharmonic aspects of protein dynamics, this study proposes, and has performed, an anharmonic NMA (ANMA) based on the Cα-only elastic network models, which assume elastic interactions between pairs of residues whose Cα atoms or heavy atoms are within a cutoff distance. The key step of ANMA is to sample an anharmonic potential function along the directions of eigenvectors of the lowest normal modes to determine the mean-squared fluctuations along these directions. ANMA was evaluated based on the modeling of anisotropic displacement parameters (ADPs) from a list of 83 high-resolution protein crystal structures. Significant improvement was found in the modeling of ADPs by ANMA compared with standard NMA. Further improvement in the modeling of ADPs is attained if the interactions between a protein and its crystalline environment are taken into account. In addition, this study has determined the optimal cutoff distances for ADP modeling based on elastic network models, and these agree well with the peaks of the statistical distributions of distances between Cα atoms or heavy atoms derived from a large set of protein crystal structures. PMID:20550915

Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids. Near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid

NASA Astrophysics Data System (ADS)

Grabska, Justyna; Beć, Krzysztof B.; Ishigaki, Mika; Wójcik, Marek J.; Ozaki, Yukihiro

2017-10-01

Quantum chemical reproduction of entire NIR spectra is a new trend, enabled by contemporary advances in the anharmonic approaches. At the same time, recent increase of the importance of NIR spectroscopy of biological samples raises high demand for gaining deeper understanding of NIR spectra of biomolecules, i.e. fatty acids. In this work we investigate saturated and unsaturated medium-chain fatty acids, hexanoic acid and sorbic acid, in the near-infrared region. By employing fully anharmonic density functional theory (DFT) calculations we reproduce the experimental NIR spectra of these systems, including the highly specific spectral features corresponding to the dimerization of fatty acids. Broad range of concentration levels from 5 · 10- 4 M in CCl4 to pure samples are investigated. The major role of cyclic dimers can be evidenced for the vast majority of these samples. A highly specific NIR feature of fatty acids, the elevation of spectral baseline around 6500-4000 cm- 1, is being explained by the contributions of combination bands resulting from the vibrations of hydrogen-bonded OH groups in the cyclic dimers. Based on the high agreement between the calculated and experimental NIR spectra, a detailed NIR band assignments are proposed for hexanoic acid and sorbic acid. Subsequently, the correlations between the structure and NIR spectra are elucidated, emphasizing the regions in which clear and universal traces of specific bands corresponding to saturated and unsaturated alkyl chains can be established, thus demonstrating the wavenumber regions highly valuable for structural identifications.

Vibrational spectroscopy of (SO4(2-)).(H2O)n clusters, n=1-5: harmonic and anharmonic calculations and experiment.

PubMed

Miller, Yifat; Chaban, Galina M; Zhou, Jia; Asmis, Knut R; Neumark, Daniel M; Gerber, R Benny

2007-09-07

The vibrational spectroscopy of (SO4(2-)).(H2O)n is studied by theoretical calculations for n=1-5, and the results are compared with experiments for n=3-5. The calculations use both ab initio MP2 and DFT/B3LYP potential energy surfaces. Both harmonic and anharmonic calculations are reported, the latter with the CC-VSCF method. The main findings are the following: (1) With one exception (H2O bending mode), the anharmonicity of the observed transitions, all in the experimental window of 540-1850 cm(-1), is negligible. The computed anharmonic coupling suggests that intramolecular vibrational redistribution does not play any role for the observed linewidths. (2) Comparison with experiment at the harmonic level of computed fundamental frequencies indicates that MP2 is significantly more accurate than DFT/B3LYP for these systems. (3) Strong anharmonic effects are, however, calculated for numerous transitions of these systems, which are outside the present observation window. These include fundamentals as well as combination modes. (4) Combination modes for the n=1 and n=2 clusters are computed. Several relatively strong combination transitions are predicted. These show strong anharmonic effects. (5) An interesting effect of the zero point energy (ZPE) on structure is found for (SO4(2-)).(H2O)(5): The global minimum of the potential energy corresponds to a C(s) structure, but with incorporation of ZPE the lowest energy structure is C2v, in accordance with experiment. (6) No stable structures were found for (OH-).(HSO4-).(H2O)n, for n

Conditions for order and chaos in the dynamics of a trapped Bose-Einstein condensate in coordinate and energy space

NASA Astrophysics Data System (ADS)

Sakhel, Roger R.; Sakhel, Asaad R.; Ghassib, Humam B.; Balaz, Antun

2016-03-01

We investigate numerically conditions for order and chaos in the dynamics of an interacting Bose-Einstein condensate (BEC) confined by an external trap cut off by a hard-wall box potential. The BEC is stirred by a laser to induce excitations manifesting as irregular spatial and energy oscillations of the trapped cloud. Adding laser stirring to the external trap results in an effective time-varying trapping frequency in connection with the dynamically changing combined external+laser potential trap. The resulting dynamics are analyzed by plotting their trajectories in coordinate phase space and in energy space. The Lyapunov exponents are computed to confirm the existence of chaos in the latter space. Quantum effects and trap anharmonicity are demonstrated to generate chaos in energy space, thus confirming its presence and implicating either quantum effects or trap anharmonicity as its generator. The presence of chaos in energy space does not necessarily translate into chaos in coordinate space. In general, a dynamic trapping frequency is found to promote chaos in a trapped BEC. An apparent means to suppress chaos in a trapped BEC is achieved by increasing the characteristic scale of the external trap with respect to the condensate size.

Gamma Oscillations and Visual Binding

NASA Astrophysics Data System (ADS)

Robinson, Peter A.; Kim, Jong Won

2006-03-01

At the root of visual perception is the mechanism the brain uses to analyze features in a scene and bind related ones together. Experiments show this process is linked to oscillations of brain activity in the 30-100 Hz gamma band. Oscillations at different sites have correlation functions (CFs) that often peak at zero lag, implying simultaneous firing, even when conduction delays are large. CFs are strongest between cells stimulated by related features. Gamma oscillations are studied here by modeling mm-scale patchy interconnections in the visual cortex. Resulting predictions for gamma responses to stimuli account for numerous experimental findings, including why oscillations and zero-lag synchrony are associated, observed connections with feature preferences, the shape of the zero-lag peak, and variations of CFs with attention. Gamma waves are found to obey the Schroedinger equation, opening the possibility of cortical analogs of quantum phenomena. Gamma instabilities are tied to observations of gamma activity linked to seizures and hallucinations.

High-pressure, high-temperature Raman spectroscopy of Ca 2GeO 4 (olivine form): some insights on anharmonicity

NASA Astrophysics Data System (ADS)

Gillet, Philippe; Guyot, Francois; Malezieux, Jean-Marie

1989-12-01

High pressure (up to 2.7 GPa) and high temperature (up to 1000 K) Raman spectra of Ca 2GeO 4 (olivine form) have been recorded. Measurements of the pressure- and temperature-induced frequency shifts of 14 modes have been performed. The classical mode Gruneisen parameter and a corresponding parameter related to temperature variation are calculated. For the high frequency modes (GeO stretching) we calculate these parameters with local tetrahedral elastic parameters. From these parameters anharmonic parameters are calculated for each Raman active mode. The effect of anharmonicity on the specific heat is calculated and compared with calorimetric data. Taking anharmonicity into account leads to a departure from the Dulong and Petit limit of the order of 2% at 1000 K and more than 6% at 2000 K, in good accord with experimental data. We propose that, eventually, such effects might be significant in the calculations of thermodynamic properties of mantle silicates like forsterite and its polymorphs.

Magnetic Quantum Oscillations in YBa2Cu3O6.61 and YBa2Cu3O6.69 in Fields of Up to 85 T: Patching the Hole in the Roof of the Superconducting Dome

NASA Astrophysics Data System (ADS)

Singleton, John; de La Cruz, Clarina; McDonald, R. D.; Li, Shiliang; Altarawneh, Moaz; Goddard, Paul; Franke, Isabel; Rickel, Dwight; Mielke, C. H.; Yao, Xin; Dai, Pengcheng

2010-02-01

We measure magnetic quantum oscillations in the underdoped cuprates YBa2Cu3O6+x with x=0.61, 0.69, using fields of up to 85 T. The quantum-oscillation frequencies and effective masses obtained suggest that the Fermi energy in the cuprates has a maximum at hole doping p≈0.11-0.12. On either side, the effective mass may diverge, possibly due to phase transitions associated with the T=0 limit of the metal-insulator crossover (low-p side), and the postulated topological transition from small to large Fermi surface close to optimal doping (high p side).

Cosmology from quantum potential in a system of oscillating branes

NASA Astrophysics Data System (ADS)

Sepehri, Alireza

2016-11-01

Recently, some authors proposed a new mechanism which gets rid of the Big Bang singularity and shows that the age of the universe is infinite. In this paper, we will confirm their results and predict that the universe may expand and contract many N fundamental strings decay to N M0-anti-M0-branes. Then, M0-branes join each other and build a M8-anti-M8 system. This system is unstable, broken and two anti-M4-branes, a compactified M4-brane, a M3-brane in addition to one M0-brane are produced. The M3-brane wraps around the compactified M4-brane and both of them oscillate between two anti-M4-branes. Our universe is located on the M3-brane and interacts with other branes by exchanging the M0-brane and some scalars in transverse directions. By wrapping of M3-brane, the contraction epoch of universe starts and some higher order of derivatives of scalar fields in the relevant action of branes are produced which are responsible for generating the generalized uncertainty principle (GUP). By oscillating the compactified M4-M3-brane and approaching one of anti-M4-branes, one end of M3-brane glues to the anti-M4-brane and other end remains sticking and wrapping around M4-brane. Then, by getting away of the M4-M3 system, M4 rolls, wrapped M3 opens and expansion epoch of universe begins. By closing the M4 to anti-M4, the mass of some scalars become negative and they make a transition to tachyonic phase. To remove these states, M4 rebounds, rolls and M3 wraps around it again. At this stage, expansion branch ends and universe enters a contraction epoch again. This process is repeated many times and universe expands and contracts due to oscillation of branes. We obtain the scale factor of universe in this system and find that its values only at t →-∞ shrinks to zero. Thus, in our method, the Big Bang is replaced by the fundamental string and the age of universe is predicted to be infinite. Also, when tachyonic states disappear at the beginning of expansion branch, some extra

Deformed oscillator algebra approach of some quantum superintegrable Lissajous systems on the sphere and of their rational extensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marquette, Ian, E-mail: i.marquette@uq.edu.au; Quesne, Christiane, E-mail: cquesne@ulb.ac.be

2015-06-15

We extend the construction of 2D superintegrable Hamiltonians with separation of variables in spherical coordinates using combinations of shift, ladder, and supercharge operators to models involving rational extensions of the two-parameter Lissajous systems on the sphere. These new families of superintegrable systems with integrals of arbitrary order are connected with Jacobi exceptional orthogonal polynomials of type I (or II) and supersymmetric quantum mechanics. Moreover, we present an algebraic derivation of the degenerate energy spectrum for the one- and two-parameter Lissajous systems and the rationally extended models. These results are based on finitely generated polynomial algebras, Casimir operators, realizations as deformedmore » oscillator algebras, and finite-dimensional unitary representations. Such results have only been established so far for 2D superintegrable systems separable in Cartesian coordinates, which are related to a class of polynomial algebras that display a simpler structure. We also point out how the structure function of these deformed oscillator algebras is directly related with the generalized Heisenberg algebras spanned by the nonpolynomial integrals.« less

Imaging Correlations in Heterodyne Spectra for Quantum Displacement Sensing

NASA Astrophysics Data System (ADS)

Pontin, A.; Lang, J. E.; Chowdhury, A.; Vezio, P.; Marino, F.; Morana, B.; Serra, E.; Marin, F.; Monteiro, T. S.

2018-01-01

The extraordinary sensitivity of the output field of an optical cavity to small quantum-scale displacements has led to breakthroughs such as the first detection of gravitational waves and of the motions of quantum ground-state cooled mechanical oscillators. While heterodyne detection of the output optical field of an optomechanical system exhibits asymmetries which provide a key signature that the mechanical oscillator has attained the quantum regime, important quantum correlations are lost. In turn, homodyning can detect quantum squeezing in an optical quadrature but loses the important sideband asymmetries. Here we introduce and experimentally demonstrate a new technique, subjecting the autocorrelators of the output current to filter functions, which restores the lost heterodyne correlations (whether classical or quantum), drastically augmenting the useful information accessible. The filtering even adjusts for moderate errors in the locking phase of the local oscillator. Hence we demonstrate the single-shot measurement of hundreds of different field quadratures allowing the rapid imaging of detailed features from a simple heterodyne trace. We also obtain a spectrum of hybrid homodyne-heterodyne character, with motional sidebands of combined amplitudes comparable to homodyne. Although investigated here in a thermal regime, the method's robustness and generality represents a promising new approach to sensing of quantum-scale displacements.

Imaging Correlations in Heterodyne Spectra for Quantum Displacement Sensing.

PubMed

Pontin, A; Lang, J E; Chowdhury, A; Vezio, P; Marino, F; Morana, B; Serra, E; Marin, F; Monteiro, T S

2018-01-12

The extraordinary sensitivity of the output field of an optical cavity to small quantum-scale displacements has led to breakthroughs such as the first detection of gravitational waves and of the motions of quantum ground-state cooled mechanical oscillators. While heterodyne detection of the output optical field of an optomechanical system exhibits asymmetries which provide a key signature that the mechanical oscillator has attained the quantum regime, important quantum correlations are lost. In turn, homodyning can detect quantum squeezing in an optical quadrature but loses the important sideband asymmetries. Here we introduce and experimentally demonstrate a new technique, subjecting the autocorrelators of the output current to filter functions, which restores the lost heterodyne correlations (whether classical or quantum), drastically augmenting the useful information accessible. The filtering even adjusts for moderate errors in the locking phase of the local oscillator. Hence we demonstrate the single-shot measurement of hundreds of different field quadratures allowing the rapid imaging of detailed features from a simple heterodyne trace. We also obtain a spectrum of hybrid homodyne-heterodyne character, with motional sidebands of combined amplitudes comparable to homodyne. Although investigated here in a thermal regime, the method's robustness and generality represents a promising new approach to sensing of quantum-scale displacements.

Study of geometric phase using classical coupled oscillators

NASA Astrophysics Data System (ADS)

Bhattacharjee, Sharba; Dey, Biprateep; Mohapatra, Ashok K.

2018-05-01

We illustrate the geometric phase associated with the cyclic dynamics of a classical system of coupled oscillators. We use an analogy between a classical coupled oscillator and a two-state quantum mechanical system to represent the evolution of the oscillator on an equivalent Hilbert space, which may be represented as a trajectory on the surface of a sphere. The cyclic evolution of the system leads to a change in phase, which consists of a dynamic phase along with an additional phase shift dependent on the geometry of the evolution. A simple experiment suitable for advanced undergraduate students is designed to study the geometric phase incurred during cyclic evolution of a coupled oscillator.

Quantum annealing with all-to-all connected nonlinear oscillators

PubMed Central

Puri, Shruti; Andersen, Christian Kraglund; Grimsmo, Arne L.; Blais, Alexandre

2017-01-01

Quantum annealing aims at solving combinatorial optimization problems mapped to Ising interactions between quantum spins. Here, with the objective of developing a noise-resilient annealer, we propose a paradigm for quantum annealing with a scalable network of two-photon-driven Kerr-nonlinear resonators. Each resonator encodes an Ising spin in a robust degenerate subspace formed by two coherent states of opposite phases. A fully connected optimization problem is mapped to local fields driving the resonators, which are connected with only local four-body interactions. We describe an adiabatic annealing protocol in this system and analyse its performance in the presence of photon loss. Numerical simulations indicate substantial resilience to this noise channel, leading to a high success probability for quantum annealing. Finally, we propose a realistic circuit QED implementation of this promising platform for implementing a large-scale quantum Ising machine. PMID:28593952

Terahertz master-oscillator power-amplifier quantum cascade laser with a grating coupler of extremely low reflectivity.

PubMed

Zhu, Huan; Zhu, Haiqing; Wang, Fangfang; Chang, Gaolei; Yu, Chenren; Yan, Quan; Chen, Jianxin; Li, Lianhe; Davies, A Giles; Linfield, Edmund H; Tang, Zhou; Chen, Pingping; Lu, Wei; Xu, Gangyi; He, Li

2018-01-22

A terahertz master-oscillation power-amplifier quantum cascade laser (THz-MOPA-QCL) is demonstrated where a grating coupler is employed to efficiently extract the THz radiation. By maximizing the group velocity and eliminating the scattering of THz wave in the grating coupler, the residue reflectivity is reduced down to the order of 10 -3 . A buried DFB grating and a tapered preamplifier are proposed to improve the seed power and to reduce the gain saturation, respectively. The THz-MOPA-QCL exhibits single-mode emission, a single-lobed beam with a narrow divergence angle of 18° × 16°, and a pulsed output power of 136 mW at 20 K, which is 36 times that of a second-order DFB laser from the same material.

Interaction of solitons with a string of coupled quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Vijendra, E-mail: vsmedphysics@gmail.com; Swami, O. P., E-mail: omg1789@gmail.com; Nagar, A. K., E-mail: ajaya.nagar@gmail.com

2016-05-06

In this paper, we develop a theory for discrete solitons interaction with a string of coupled quantum dots in view of the local field effects. Discrete nonlinear Schrodinger (DNLS) equations are used to describe the dynamics of the string. Numerical calculations are carried out and results are analyzed with the help of matlab software. With the help of numerical solutions we demonstrate that in the quantum dots string, Rabi oscillations (RO) are self trapped into stable bright Rabi solitons. The Rabi oscillations in different types of nanostructures have potential applications to the elements of quantum logic and quantum memory.

Controlling quantum interference in phase space with amplitude.

PubMed

Xue, Yinghong; Li, Tingyu; Kasai, Katsuyuki; Okada-Shudo, Yoshiko; Watanabe, Masayoshi; Zhang, Yun

2017-05-23

We experimentally show a quantum interference in phase space by interrogating photon number probabilities (n = 2, 3, and 4) of a displaced squeezed state, which is generated by an optical parametric amplifier and whose displacement is controlled by amplitude of injected coherent light. It is found that the probabilities exhibit oscillations of interference effect depending upon the amplitude of the controlling light field. This phenomenon is attributed to quantum interference in phase space and indicates the capability of controlling quantum interference using amplitude. This remarkably contrasts with the oscillations of interference effects being usually controlled by relative phase in classical optics.

DFT calculations for anharmonic force field and spectroscopic constants of YC2 and its 13C isotopologues

NASA Astrophysics Data System (ADS)

Zhao, Yanliang; Wang, Meishan; Yang, Chuanlu; Ma, Xiaoguang; Li, Jing

2018-02-01

The construction of the complete third and the semi-diagonal quartic force fields including the anharmonicity of the ground state (X˜2A1) for yttrium dicarbide (YC2) is carried out employing the vibrational second-order perturbation theory (VPT2) in combination with the density functional theory (DFT). The equilibrium geometries optimization, anharmonic force field and vibrational spectroscopic constants of YC2 are calculated by B3LYP, B3PW91 and B3P86 methods. Aug-cc-pVnZ (n = D, T, Q) and cc-pVnZ-PP (n = D, T, Q) basis sets are chosen for C and Y atoms, respectively. The calculated geometry parameters of YC2 agree well with the corresponding experimental and previous theoretical results. The bonding characters of Ysbnd C2 or Csbnd C are discussed. Based on the optimized equilibrium geometries, the spectroscopic constants and anharmonic force field of YC2 are calculated. Comparing with the spectroscopic constants of YC2 derived from the experiment, the calculated results show that the B3PW91 and B3P86 methods are superior to B3LYP for YC2. The Coriolis coupling constants, cubic and quartic force constants of YC2 are reasonably predicted. Besides, the spectroscopic constants and anharmonic force field of Y13C2 (X˜2A1) and Y13CC (X˜2A‧) are calculated for the first time, which are expected to guide the high resolution experimental work for YC2 and its 13C isotopologues.

Control and Measurement of an Xmon with the Quantum Socket

NASA Astrophysics Data System (ADS)

McConkey, T. G.; Bejanin, J. H.; Earnest, C. T.; McRae, C. R. H.; Rinehart, J. R.; Weides, M.; Mariantoni, M.

The implementation of superconducting quantum processors is rapidly reaching scalability limitations. Extensible electronics and wiring solutions for superconducting quantum bits (qubits) are among the most imminent issues to be tackled. The necessity to substitute planar electrical interconnects (e.g., wire bonds) with three-dimensional wires is emerging as a fundamental pillar towards scalability. In a previous work, we have shown that three-dimensional wires housed in a suitable package, named the quantum socket, can be utilized to measure high-quality superconducting resonators. In this work, we set out to test the quantum socket with actual superconducting qubits to verify its suitability as a wiring solution in the development of an extensible quantum computing architecture. To this end, we have designed and fabricated a series of Xmon qubits. The qubits range in frequency from about 6 to 7 GHz with anharmonicity of 200 MHz and can be tuned by means of Z pulses. Controlling tunable Xmons will allow us to verify whether the three-dimensional wires contact resistance is low enough for qubit operation. Qubit T1 and T2 times and single qubit gate fidelities are compared against current standards in the field.

Coupled-oscillator theory of dispersion and Casimir-Polder interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berman, P. R.; Ford, G. W.; Milonni, P. W.

2014-10-28

We address the question of the applicability of the argument theorem (of complex variable theory) to the calculation of two distinct energies: (i) the first-order dispersion interaction energy of two separated oscillators, when one of the oscillators is excited initially and (ii) the Casimir-Polder interaction of a ground-state quantum oscillator near a perfectly conducting plane. We show that the argument theorem can be used to obtain the generally accepted equation for the first-order dispersion interaction energy, which is oscillatory and varies as the inverse power of the separation r of the oscillators for separations much greater than an optical wavelength.more » However, for such separations, the interaction energy cannot be transformed into an integral over the positive imaginary axis. If the argument theorem is used incorrectly to relate the interaction energy to an integral over the positive imaginary axis, the interaction energy is non-oscillatory and varies as r{sup −4}, a result found by several authors. Rather remarkably, this incorrect expression for the dispersion energy actually corresponds to the nonperturbative Casimir-Polder energy for a ground-state quantum oscillator near a perfectly conducting wall, as we show using the so-called “remarkable formula” for the free energy of an oscillator coupled to a heat bath [G. W. Ford, J. T. Lewis, and R. F. O’Connell, Phys. Rev. Lett. 55, 2273 (1985)]. A derivation of that formula from basic results of statistical mechanics and the independent oscillator model of a heat bath is presented.« less

Quantum-chaotic cryptography

NASA Astrophysics Data System (ADS)

de Oliveira, G. L.; Ramos, R. V.

2018-03-01

In this work, it is presented an optical scheme for quantum key distribution employing two synchronized optoelectronic oscillators (OEO) working in the chaotic regime. The produced key depends on the chaotic dynamic, and the synchronization between Alice's and Bob's OEOs uses quantum states. An attack on the synchronization signals will disturb the synchronization of the chaotic systems increasing the error rate in the final key.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

NASA Astrophysics Data System (ADS)

Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L.; Buma, Wybren Jan; Lee, Timothy J.; Tielens, Alexander G. G. M.

2016-08-01

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2016-08-28

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.

Phonon renormalization and anharmonicity in Al-doped MgB2

NASA Astrophysics Data System (ADS)

Ortiz, Filiberto; Aguayo, Aarón

2005-03-01

We have studied the evolution of the E2g phonon mode dynamics in Mg1-xAlxB2 as a function of doping using the Frozen Phonon Approximation (FPA). The doping was modeled in the ab-initio Virtual Crystal Approximation (VCA). The results were obtained by means of first-principles total-energy calculations using the full potential Linearized Augmented Plane Wave (LAPW) method and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We present results for the evolution of the phonon frequency and anharmonicity of the E2g mode as a function of Al concentration (x). From a comparison of the experimental data with the calculated E2g phonon frequency we show that the VCA-FPA reproduces the observed phonon renormalization in the whole range of Al concentrations. More interestingly, we find that the anharmonicity gradually decreases with Al doping and vanishes for x(Al)>0.5, that behaviour correlates with the evolution of the measured Raman linewidth in Al-doped MgB2. The significance of these results are discussed in the light of the experimentally observed loss of superconductivity in Mg1- xAlxB2.This work was supported by Consejo Nacional de Ciencia y Tecnolog'ia (CONACYT, M'exico) under Grant. No. 43830-F.

Quantum nature of protons in water probed by scanning tunneling microscopy and spectroscopy

NASA Astrophysics Data System (ADS)

Guo, Jing; Lü, Jing-Tao; Feng, Yexin; Chen, Ji; Peng, Jinbo; Lin, Zeren; Meng, Xiangzhi; Wang, Zhichang; Li, Xin-Zheng; Wang, En-Ge; Jiang, Ying; Jing-Tao Lü Team; Xin-Zheng Li Team

The complexity of hydrogen-bonding interaction largely arises from the quantum nature of light hydrogen nuclei, which has remained elusive for decades. Here we report the direct assessment of nuclear quantum effects on the strength of a single hydrogen bond formed at a water-salt interface, using tip-enhanced inelastic electron tunneling spectroscopy (IETS) based on a low-temperature scanning tunneling microscope (STM). The IETS signals are resonantly enhanced by gating the frontier orbitals of water via a chlorine-terminated STM tip, such that the hydrogen-bonding strength can be determined with unprecedentedly high accuracy from the redshift in the O-H stretching frequency of water. Isotopic substitution experiments combined with quantum simulations reveal that the anharmonic quantum fluctuations of hydrogen nuclei weaken the weak hydrogen bonds and strengthen the relatively strong ones. However, this trend can be completely reversed when the hydrogen bond is strongly coupled to the polar atomic sites of the surface.

Second International Workshop on Harmonic Oscillators

NASA Technical Reports Server (NTRS)

Han, Daesoo (Editor); Wolf, Kurt Bernardo (Editor)

1995-01-01

The Second International Workshop on Harmonic Oscillators was held at the Hotel Hacienda Cocoyoc from March 23 to 25, 1994. The Workshop gathered 67 participants; there were 10 invited lecturers, 30 plenary oral presentations, 15 posters, and plenty of discussion divided into the five sessions of this volume. The Organizing Committee was asked by the chairman of several Mexican funding agencies what exactly was meant by harmonic oscillators, and for what purpose the new research could be useful. Harmonic oscillators - as we explained - is a code name for a family of mathematical models based on the theory of Lie algebras and groups, with applications in a growing range of physical theories and technologies: molecular, atomic, nuclear and particle physics; quantum optics and communication theory.

The Pendulum as a Vehicle for Transitioning from Classical to Quantum Physics: History, Quantum Concepts, and Educational Challenges

ERIC Educational Resources Information Center

Barnes, Marianne B.; Garner, James; Reid, David

2004-01-01

In this article we use the pendulum as the vehicle for discussing the transition from classical to quantum physics. Since student knowledge of the classical pendulum can be generalized to all harmonic oscillators, we propose that a quantum analysis of the pendulum can lead students into the unanticipated consequences of quantum phenomena at the…

Addendum to "An update on the classical and quantum harmonic oscillators on the sphere and the hyperbolic plane in polar coordinates" [Phys. Lett. A 379 (26-27) (2015) 1589-1593

NASA Astrophysics Data System (ADS)

Quesne, C.

2016-02-01

The classical and quantum solutions of a nonlinear model describing harmonic oscillators on the sphere and the hyperbolic plane, derived in polar coordinates in a recent paper (Quesne, 2015) [1], are extended by the inclusion of an isotonic term.

Effects of rotation and tidal distortions on the shapes of radial velocity curves of polytropic models of pulsating variable stars

NASA Astrophysics Data System (ADS)

Kumar, Tarun; Lal, Arvind Kumar; Pathania, Ankush

2018-06-01

Anharmonic oscillations of rotating stars have been studied by various authors in literature to explain the observed features of certain variable stars. However, there is no study available in literature that has discussed the combined effect of rotation and tidal distortions on the anharmonic oscillations of stars. In this paper, we have created a model to determine the effect of rotation and tidal distortions on the anharmonic radial oscillations associated with various polytropic models of pulsating variable stars. For this study we have used the theory of Rosseland to obtain the anharmonic pulsation equation for rotationally and tidally distorted polytropicmodels of pulsating variable stars. The main objective of this study is to investigate the effect of rotation and tidal distortions on the shapes of the radial velocity curves for rotationally and tidally distorted polytropic models of pulsating variable stars. The results of the present study show that the rotational effects cause more deviations in the shapes of radial velocity curves of pulsating variable stars as compared to tidal effects.

Effective mass of two-dimensional electrons in InGaAsN/GaAsSb type II quantum well by Shubnikov-de Haas oscillations

NASA Astrophysics Data System (ADS)

Kawamata, Shuichi; Hibino, Akira; Tanaka, Sho; Kawamura, Yuichi

2016-10-01

In order to develop optical devices for 2-3 μm wavelength regions, the InP-based InGaAs/GaAsSb type II multiple quantum well system has been investigated. By doping nitrogen into InGaAs layers, the system becomes effective in creating the optical devices with a longer wavelength. In this report, electrical transport properties are reported on the InGaAsN/GaAsSb type II system. The epitaxial layers with the single hetero or multiple quantum well structure on InP substrates are grown by the molecular beam epitaxy. The electrical resistance of samples with different nitrogen concentrations has been measured as a function of the magnetic field up to 9 Tesla at several temperatures between 2 and 6 K. The oscillation of the resistance due to the Shubnikov-de Haas (SdH) effect has been observed at each temperature. The effective mass is obtained from the temperature dependence of the amplitude of the SdH oscillations. The value of the effective mass increases from 0.048 for N = 0.0% to 0.062 for N = 1.2 and 1.5% as the nitrogen concentration increases. The mass enhancement occurs with corresponding to the reduction of the bandgap energy. These results are consistent with the band anticrossing model.

Exact solution of a quantum forced time-dependent harmonic oscillator

NASA Technical Reports Server (NTRS)

Yeon, Kyu Hwang; George, Thomas F.; Um, Chung IN

1992-01-01

The Schrodinger equation is used to exactly evaluate the propagator, wave function, energy expectation values, uncertainty values, and coherent state for a harmonic oscillator with a time dependent frequency and an external driving time dependent force. These quantities represent the solution of the classical equation of motion for the time dependent harmonic oscillator.

Anharmonic Resonances among Low-Lying Vibrational Levels of Methyl Iso-Cyanide (H_3CNC)

NASA Astrophysics Data System (ADS)

Pracna, P.; Urban, J.; Urban, V. S.; Varga, J.; Horneman, V.-M.

2010-06-01

Vibrational levels up to 1000 wn of H_3C-N≡C are currently studied in FTIR spectra together with rotational transitions within these levels. This investigation comprises the low-lying excited vibrational levels of the CNC doubly degenerate bending vibration v8=1^± 1 (267.3 wn), v8=20,± 2 (524.6 wn (A), 545.3 wn (E)), and v8=3^± 1,± 3 (792.5 wn (A1+A2), 833.9 wn (E)), respectively, and the next higher fundamental level of the C-N valence vibration v4=1 (945 wn). All these vibrational levels exhibit cubic and quartic anharmonic resonances localized to moderate values of the rotational quantum number K≤10. Therefore the system of rovibrational levels has to be treated as a global polyad in order to describe all the available data quantitatively. The ground state constants have been improved considerably by extending the assignments to higher J/K rotational states both in the purely rotational spectra recorded in the ground vibrational level and in the ground state combination differences generated from the wavenumbers assigned in the fundamental ν_4 band. Similarities and differences with respect to isoelectronic molecules CH_3CN and CH_3CCH are discussed.

Electrical tuning of the oscillator strength in type II InAs/GaInSb quantum wells for active region of passively mode-locked interband cascade lasers

NASA Astrophysics Data System (ADS)

Dyksik, Mateusz; Motyka, Marcin; Kurka, Marcin; Ryczko, Krzysztof; Misiewicz, Jan; Schade, Anne; Kamp, Martin; Höfling, Sven; Sęk, Grzegorz

2017-11-01

Two designs of active region for an interband cascade laser, based on double or triple GaInSb/InAs type II quantum wells (QWs), were compared with respect to passive mode-locked operation in the mid-infrared range around 4 µm. The layer structure and electron and hole wavefunctions under external electric field were engineered to allow controlling the optical transition oscillator strength and the resulting lifetimes. As a result, the investigated structures can mimic absorber-like and gain-like sections of a mode-locked device when properly polarized with opposite bias. A significantly larger oscillator strength tuning range for triple QWs was experimentally verified by Fourier-transform photoreflectance.

Correlated electron-nuclear dissociation dynamics: classical versus quantum motion

NASA Astrophysics Data System (ADS)

Schaupp, Thomas; Albert, Julian; Engel, Volker

2017-01-01

We investigate the coupled electron-nuclear dynamics in a model system which undergoes dissociation. In choosing different initial conditions, the cases of adiabatic and non-adiabatic dissociation are realized. We treat the coupled electronic and nuclear motion in the complete configuration space so that classically, no surface hopping procedures have to be incorporated in the case that more than a single adiabatic electronic state is populated during the fragmentation. Due to the anharmonic interaction potential, it is expected that classical mechanics substantially deviate from quantum mechanics. However, we provide examples where the densities and fragmentation yields obtained from the two treatments are in astonishingly strong agreement in the case that one starts in the electronic ground state initially. As expected, larger deviations are found if one starts in electronically excited states where trajectories are sampled from the more spatially extended electronic wave function. In that case, higher initial energies are accessed, and the motion proceeds in regions with increasing degree of anharmonicity. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Ultrafast Spectroscopy of Fano-Like Resonance between Optical Phonon and Excitons in CdSe Quantum Dots: Dependence of Coherent Vibrational Wave-Packet Dynamics on Pump Fluence

PubMed Central

Aybush, Arseniy; Gostev, Fedor; Shelaev, Ivan; Titov, Andrey; Umanskiy, Stanislav; Cherepanov, Dmitry

2017-01-01

The main goal of the present work is to study the coherent phonon in strongly confined CdSe quantum dots (QDs) under varied pump fluences. The main characteristics of coherent phonons (amplitude, frequency, phase, spectrogram) of CdSe QDs under the red-edge pump of the excitonic band [1S(e)-1S3/2(h)] are reported. We demonstrate for the first time that the amplitude of the coherent optical longitudinal-optical (LO) phonon at 6.16 THz excited in CdSe nanoparticles by a femtosecond unchirped pulse shows a non-monotone dependence on the pump fluence. This dependence exhibits the maximum at pump fluence ~0.8 mJ/cm2. At the same time, the amplitudes of the longitudinal acoustic (LA) phonon mode at 0.55 THz and of the coherent wave packet of toluene at 15.6, 23.6 THz show a monotonic rise with the increase of pump fluence. The time frequency representation of an oscillating signal corresponding to LO phonons revealed by continuous wavelet transform (CWT) shows a profound destructive quantum interference close to the origin of distinct (optical phonon) and continuum-like (exciton) quasiparticles. The CWT spectrogram demonstrates a nonlinear chirp at short time delays, where the chirp sign depends on the pump pulse fluence. The CWT spectrogram reveals an anharmonic coupling between optical and acoustic phonons. PMID:29113056

Exact mapping of the 2+1 Dirac oscillator onto the Jaynes-Cummings model: Ion-trap experimental proposal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bermudez, A.; Martin-Delgado, M. A.; Solano, E.

2007-10-15

We study the dynamics of the 2+1 Dirac oscillator exactly and find spin oscillations due to a Zitterbewegung of purely relativistic origin. We find an exact mapping of this quantum-relativistic system onto a Jaynes-Cummings model, describing the interaction of a two-level atom with a quantized single-mode field. This equivalence allows us to map a series of quantum optical phenomena onto the relativistic oscillator and vice versa. We make a realistic experimental proposal, in reach with current technology, for studying the equivalence of both models using a single trapped ion.

Nondegenerate parametric oscillations in a tunable superconducting resonator

NASA Astrophysics Data System (ADS)

Bengtsson, Andreas; Krantz, Philip; Simoen, Michaël; Svensson, Ida-Maria; Schneider, Ben; Shumeiko, Vitaly; Delsing, Per; Bylander, Jonas

2018-04-01

We investigate nondegenerate parametric oscillations in a superconducting microwave multimode resonator that is terminated by a superconducting quantum interference device (SQUID). The parametric effect is achieved by modulating magnetic flux through the SQUID at a frequency close to the sum of two resonator-mode frequencies. For modulation amplitudes exceeding an instability threshold, self-sustained oscillations are observed in both modes. The amplitudes of these oscillations show good quantitative agreement with a theoretical model. The oscillation phases are found to be correlated and exhibit strong fluctuations which broaden the oscillation spectral linewidths. These linewidths are significantly reduced by applying a weak on-resonant tone, which also suppresses the phase fluctuations. When the weak tone is detuned, we observe synchronization of the oscillation frequency with the frequency of the input. For the detuned input, we also observe an emergence of three idlers in the output. This observation is in agreement with theory indicating four-mode amplification and squeezing of a coherent input.

Quantum limits to gravity estimation with optomechanics

NASA Astrophysics Data System (ADS)

Armata, F.; Latmiral, L.; Plato, A. D. K.; Kim, M. S.