Synthesis of copper quantum dots by chemical reduction method and tailoring of its band gap

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

Prabhash, P. G.; Nair, Swapna S., E-mail: swapna.s.nair@gmail.com

Metallic copper nano particles are synthesized with citric acid and CTAB (cetyltrimethylammonium bromide) as surfactant and chlorides as precursors. The particle size and surface morphology are analyzed by High Resolution Transmission Electron Microscopy. The average size of the nano particle is found to be 3 - 10 nm. The optical absorption characteristics are done by UV-Visible spectrophotometer. From the Tauc plots, the energy band gaps are calculated and because of their smaller size the particles have much higher band gap than the bulk material. The energy band gap is changed from 3.67 eV to 4.27 eV in citric acid coatedmore » copper quantum dots and 4.17 eV to 4.52 eV in CTAB coated copper quantum dots.« less

Two-dimensional topological insulators with large bulk energy gap

NASA Astrophysics Data System (ADS)

Yang, Z. Q.; Jia, Jin-Feng; Qian, Dong

2016-11-01

Two-dimensional (2D) topological insulators (TIs, or quantum spin Hall insulators) are special insulators that possess bulk 2D electronic energy gap and time-reversal symmetry protected one-dimensional (1D) edge state. Carriers in the edge state have the property of spin-momentum locking, enabling dissipation-free conduction along the 1D edge. The existence of 2D TIs was confirmed by experiments in semiconductor quantum wells. However, the 2D bulk gaps in those quantum wells are extremely small, greatly limiting potential application in future electronics and spintronics. Despite this limitation, 2D TIs with a large bulk gap attracted plenty of interest. In this paper, recent progress in searching for TIs with a large bulk gap is reviewed briefly. We start by introducing some theoretical predictions of these new materials and then discuss some recent important achievements in crystal growth and characterization. Project supported by the National Natural Science Foundation of China (Grant Nos. U1632272, 11574201, and 11521404). D. Q. acknowledges support from the Changjiang Scholars Program, China and the Program for Professor of Special Appointment (Eastern Scholar), China.

Gapped two-body Hamiltonian for continuous-variable quantum computation.

PubMed

Aolita, Leandro; Roncaglia, Augusto J; Ferraro, Alessandro; Acín, Antonio

2011-03-04

We introduce a family of Hamiltonian systems for measurement-based quantum computation with continuous variables. The Hamiltonians (i) are quadratic, and therefore two body, (ii) are of short range, (iii) are frustration-free, and (iv) possess a constant energy gap proportional to the squared inverse of the squeezing. Their ground states are the celebrated Gaussian graph states, which are universal resources for quantum computation in the limit of infinite squeezing. These Hamiltonians constitute the basic ingredient for the adiabatic preparation of graph states and thus open new venues for the physical realization of continuous-variable quantum computing beyond the standard optical approaches. We characterize the correlations in these systems at thermal equilibrium. In particular, we prove that the correlations across any multipartition are contained exactly in its boundary, automatically yielding a correlation area law.

An impurity-induced gap system as a quantum data bus for quantum state transfer

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

Chen, Bing, E-mail: chenbingphys@gmail.com; Li, Yong; Song, Z.

2014-09-15

We introduce a tight-binding chain with a single impurity to act as a quantum data bus for perfect quantum state transfer. Our proposal is based on the weak coupling limit of the two outermost quantum dots to the data bus, which is a gapped system induced by the impurity. By connecting two quantum dots to two sites of the data bus, the system can accomplish a high-fidelity and long-distance quantum state transfer. Numerical simulations for finite system show that the numerical and analytical results of the effective coupling strength agree well with each other. Moreover, we study the robustness ofmore » this quantum communication protocol in the presence of disorder in the couplings between the nearest-neighbor quantum dots. We find that the gap of the system plays an important role in robust quantum state transfer.« less

Energy spectrum and transport in narrow HgTe quantum wells

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

Germanenko, A. V., E-mail: Alexander.Germanenko@urfu.ru; Minkov, G. M.; Rut, O. E.

The results of an experimental study of the transport phenomena and the hole energy spectrum of two-dimensional systems in the quantum well of HgTe zero-gap semiconductor with normal arrangement of quantum-confinement subbands are presented. An analysis of the experimental data allows us to reconstruct the carrier energy spectrum near the hole subband extrema. The results are interpreted using the standard kP model.

Parametric investigation of nano-gap thermophotovoltaic energy conversion

NASA Astrophysics Data System (ADS)

Lau, Japheth Z.-J.; Bong, Victor N.-S.; Wong, Basil T.

2016-03-01

Nano-gap thermophotovoltaic energy converters have the potential to be excellent generators of electrical power due to the near-field radiative effect which enhances the transfer of energy from one medium to another. However, there is still much to learn about this new form of energy converter. This paper seeks to investigate three parameters that affect the performance of nano-gap thermophotovoltaic devices: the emitter material, the thermophotovoltaic cell material, and the cell thickness. Furthermore, the temperature profiles in insulated thin films (cells exposed to below-band gap near-field radiation) are analysed. It was discovered that an effective emitter material is one that has a high generalised emissivity value and is also able to couple with the TPV cell material through surface polaritons while a cell material's electrical properties and its thickness has heavy bearing on its internal quantum efficiency. In regards to the temperature profile, the heat-flux absorbed causes a rise in temperature across the thin film, but is insufficient to generate a temperature gradient across the film.

Compositional dependence of the band gap in Ga(NAsP) quantum well heterostructures

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

Jandieri, K., E-mail: kakhaber.jandieri@physik.uni-marburg.de; Ludewig, P.; Wegele, T.

We present experimental and theoretical studies of the composition dependence of the direct band gap energy in Ga(NAsP)/GaP quantum well heterostructures grown on either (001) GaP- or Si-substrates. The theoretical description takes into account the band anti-crossing model for the conduction band as well as the modification of the valence subband structure due to the strain resulting from the pseudomorphic epitaxial growth on the respective substrate. The composition dependence of the direct band gap of Ga(NAsP) is obtained for a wide range of nitrogen and phosphorus contents relevant for laser applications on Si-substrate.

Bridging the Gap Between Stationary Homogeneous Isotropic Turbulence and Quantum Mechanics

NASA Astrophysics Data System (ADS)

Sohrab, Siavash

A statistical theory of stationary isotropic turbulence is presented with eddies possessing Gaussian velocity distribution, Maxwell-Boltzmann speed distribution in harmony with perceptions of Heisenberg, and Planck energy distribution in harmony with perceptions of Chandrasekhar and in agreement with experimental observations of Van Atta and Chen. Defining the action S = - mΦ in terms of velocity potential of atomic motion, scale-invariant Schrödinger equation is derivedfrom invariant Bernoulli equation. Thus, the gap between the problems of turbulence and quantum mechanics is closed through connections between Cauchy-Euler-Bernoulli equations of hydrodynamics, Hamilton-Jacobi equation of classical mechanics, and finally Schrödinger equation of quantum mechanics. Transitions of particle (molecular cluster cji) from a small rapidly-oscillating eddy ej (high-energy level-j) to a large slowly-oscillating eddy ei (low energy-level-i) leads to emission of a sub-particle (molecule mji) that carries away the excess energy ɛji = h (νj -νi) in harmony with Bohr theory of atomic spectra. ∖ ∖ NASA Grant No. NAG3-1863.

Undecidability of the spectral gap.

PubMed

Cubitt, Toby S; Perez-Garcia, David; Wolf, Michael M

2015-12-10

The spectral gap--the energy difference between the ground state and first excited state of a system--is central to quantum many-body physics. Many challenging open problems, such as the Haldane conjecture, the question of the existence of gapped topological spin liquid phases, and the Yang-Mills gap conjecture, concern spectral gaps. These and other problems are particular cases of the general spectral gap problem: given the Hamiltonian of a quantum many-body system, is it gapped or gapless? Here we prove that this is an undecidable problem. Specifically, we construct families of quantum spin systems on a two-dimensional lattice with translationally invariant, nearest-neighbour interactions, for which the spectral gap problem is undecidable. This result extends to undecidability of other low-energy properties, such as the existence of algebraically decaying ground-state correlations. The proof combines Hamiltonian complexity techniques with aperiodic tilings, to construct a Hamiltonian whose ground state encodes the evolution of a quantum phase-estimation algorithm followed by a universal Turing machine. The spectral gap depends on the outcome of the corresponding 'halting problem'. Our result implies that there exists no algorithm to determine whether an arbitrary model is gapped or gapless, and that there exist models for which the presence or absence of a spectral gap is independent of the axioms of mathematics.

Narrow Band Gap Lead Sulfide Hole Transport Layers for Quantum Dot Photovoltaics.

PubMed

Zhang, Nanlin; Neo, Darren C J; Tazawa, Yujiro; Li, Xiuting; Assender, Hazel E; Compton, Richard G; Watt, Andrew A R

2016-08-24

The band structure of colloidal quantum dot (CQD) bilayer heterojunction solar cells is optimized using a combination of ligand modification and QD band gap control. Solar cells with power conversion efficiencies of up to 9.33 ± 0.50% are demonstrated by aligning the absorber and hole transport layers (HTL). Key to achieving high efficiencies is optimizing the relative position of both the valence band and Fermi energy at the CQD bilayer interface. By comparing different band gap CQDs with different ligands, we find that a smaller band gap CQD HTL in combination with a more p-type-inducing CQD ligand is found to enhance hole extraction and hence device performance. We postulate that the efficiency improvements observed are largely due to the synergistic effects of narrower band gap QDs, causing an upshift of valence band position due to 1,2-ethanedithiol (EDT) ligands and a lowering of the Fermi level due to oxidation.

Size-dependent energy levels of InSb quantum dots measured by scanning tunneling spectroscopy.

PubMed

Wang, Tuo; Vaxenburg, Roman; Liu, Wenyong; Rupich, Sara M; Lifshitz, Efrat; Efros, Alexander L; Talapin, Dmitri V; Sibener, S J

2015-01-27

The electronic structure of single InSb quantum dots (QDs) with diameters between 3 and 7 nm was investigated using atomic force microscopy (AFM) and scanning tunneling spectroscopy (STS). In this size regime, InSb QDs show strong quantum confinement effects which lead to discrete energy levels on both valence and conduction band states. Decrease of the QD size increases the measured band gap and the spacing between energy levels. Multiplets of equally spaced resonance peaks are observed in the tunneling spectra. There, multiplets originate from degeneracy lifting induced by QD charging. The tunneling spectra of InSb QDs are qualitatively different from those observed in the STS of other III-V materials, for example, InAs QDs, with similar band gap energy. Theoretical calculations suggest the electron tunneling occurs through the states connected with L-valley of InSb QDs rather than through states of the Γ-valley. This observation calls for better understanding of the role of indirect valleys in strongly quantum-confined III-V nanomaterials.

Optical phonon effect in quasi-one-dimensional semiconductor quantum wires: Band-gap renormalization

NASA Astrophysics Data System (ADS)

Dan, Nguyen Trung; Bechstedt, F.

1996-02-01

We present theoretical studies of dynamical screening in quasi-one-dimensional semiconductor quantum wires including electron-electron and electron-LO-phonon interactions. Within the random-phase approximation we obtain analytical expressions for screened interaction potentials. These expressions can be used to calculate the band-gap renormalization of quantum wires, which depends on the free-carrier density and temperature. We find that the optical phonon interaction effect plays a significant role in band-gap renormalization of quantum wires. The numerical results are compared with some recent experiment measurements as well as available theories.

Quantum energy teleportation in a quantum Hall system

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

Yusa, Go; Izumida, Wataru; Hotta, Masahiro

2011-09-15

We propose an experimental method for a quantum protocol termed quantum energy teleportation (QET), which allows energy transportation to a remote location without physical carriers. Using a quantum Hall system as a realistic model, we discuss the physical significance of QET and estimate the order of energy gain using reasonable experimental parameters.

Gap Reversal at Filling Factors 3 +1 /3 and 3 +1 /5 : Towards Novel Topological Order in the Fractional Quantum Hall Regime

NASA Astrophysics Data System (ADS)

Kleinbaum, Ethan; Kumar, Ashwani; Pfeiffer, L. N.; West, K. W.; Csáthy, G. A.

2015-02-01

In the region of the second Landau level several theories predict fractional quantum Hall states with novel topological order. We report the opening of an energy gap at the filling factor ν =3 +1 /3 , firmly establishing the ground state as a fractional quantum Hall state. This and other odd-denominator states unexpectedly break particle-hole symmetry. Specifically, we find that the relative magnitudes of the energy gaps of the ν =3 +1 /3 and 3 +1 /5 states from the upper spin branch are reversed when compared to the ν =2 +1 /3 and 2 +1 /5 counterpart states in the lower spin branch. Our findings raise the possibility that at least one of the former states is of an unusual topological order.

Quantum fluctuations and gapped Goldstone modes in spinor Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Beekman, Aron

2015-03-01

The classical Heisenberg ferromagnet is an exact eigenstate of the quantum Hamiltonian and therefore has no quantum fluctuations. Furthermore it has a reduced number of Goldstone modes, an order parameter that is itself a symmetry generator, is a highest-weight state for the spin algebra, and has no tower of states of vanishing energy. We derive the connection between all these properties and provide general criteria for their presence in other spontaneously-broken symmetry states. The phletora of groundstates in spinor Bose-Einstein condensates is an ideal testing ground for these predictions. In particular the phases with non-maximal polarization (e.g. the F-phase in spin-3 condensates) have an additional gapped mode that is a partner to the quadratically dispersing Goldstone mode, as compared to the maximally polarized, ferromagnetic phase. Furthermore there is a fundamental limit to the coherence time of superpositions in the non-maximally polarized state, which should manifest itself for small-size systems.

Binding energy of excitons formed from spatially separated electrons and holes in insulating quantum dots

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

Pokutnyi, S. I., E-mail: pokutnyi-sergey@inbox.ru; Kulchin, Yu. N.; Dzyuba, V. P.

It is found that the binding energy of the ground state of an exciton formed from an electron and a hole spatially separated from each other (the hole is moving within a quantum dot, and the electron is localized above the spherical (quantum dot)–(insulating matrix) interface) in a nanosystem containing insulating Al{sub 2}O{sub 3} quantum dots is substantially increased (by nearly two orders of magnitude) compared to the exciton binding energy in an Al{sub 2}O{sub 3} single crystal. It is established that, in the band gap of an Al{sub 2}O{sub 3} nanoparticle, a band of exciton states (formed from spatiallymore » separated electrons and holes) appears. It is shown that there exists the possibility of experimentally detecting the ground and excited exciton states in the band gap of Al{sub 2}O{sub 3} nanoparticles at room temperature from the absorption spectrum of the nanosystem.« less

Quantum adiabatic computation with a constant gap is not useful in one dimension.

PubMed

Hastings, M B

2009-07-31

We show that it is possible to use a classical computer to efficiently simulate the adiabatic evolution of a quantum system in one dimension with a constant spectral gap, starting the adiabatic evolution from a known initial product state. The proof relies on a recently proven area law for such systems, implying the existence of a good matrix product representation of the ground state, combined with an appropriate algorithm to update the matrix product state as the Hamiltonian is changed. This implies that adiabatic evolution with such Hamiltonians is not useful for universal quantum computation. Therefore, adiabatic algorithms which are useful for universal quantum computation either require a spectral gap tending to zero or need to be implemented in more than one dimension (we leave open the question of the computational power of adiabatic simulation with a constant gap in more than one dimension).

Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

NASA Astrophysics Data System (ADS)

Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

2018-05-01

Orbital-free density functional theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system size. However, the OF-DFT accuracy strongly depends on the approximation made for the kinetic energy (KE) functional. To date, the most accurate KE functionals are nonlocal functionals based on the linear-response kernel of the homogeneous electron gas, i.e., the jellium model. Here, we use the linear-response kernel of the jellium-with-gap model to construct a simple nonlocal KE functional (named KGAP) which depends on the band-gap energy. In the limit of vanishing energy gap (i.e., in the case of metals), the KGAP is equivalent to the Smargiassi-Madden (SM) functional, which is accurate for metals. For a series of semiconductors (with different energy gaps), the KGAP performs much better than SM, and results are close to the state-of-the-art functionals with sophisticated density-dependent kernels.

Quantum-size-induced phase transitions in quantum dots: Indirect-band gap GaAs nanostructures

NASA Astrophysics Data System (ADS)

Zunger, Alex; Luo, Jun-Wei; Franceschetti, Alberto

2008-03-01

Quantum nanostructures are often advertised as having stronger absorption than the bulk material from which they are made, to the potential benefit of nanotechnology. However, nanostructures made of direct gap materials such as GaAs can convert to indirect-gap, weakly-aborbing systems when the quantum size becomes small. This is the case for spherical GaAs dots of radius 15 å or less (about 1000 atoms) embedded in a wide-gap matrix. The nature of the transition: γ-to-X or γ-to-L is however, controversial. The distinction can not be made on the basis of electronic structure techniques that misrepresent the magnitude of the various competing effective mass tensors (e.g, LDA or GGA) or wavefunction coupling (e.g, tight-binding). Using a carefully fit screened pseudopotential method we show that the transition occurs from γ to X, and, more importantly, that the transition involves a finite V (γ-X) interband coupling, manifested as an ``anti-crossing'' between the confined electron states of GaAs as the dot size crosses 15 å. The physics of this reciprocal-space γ-X transition, as well as the real-space (type II) transition in GaAs/AlGaAs will be briefly discussed.

Quantum spill-out in few-nanometer metal gaps: Effect on gap plasmons and reflectance from ultrasharp groove arrays

NASA Astrophysics Data System (ADS)

Skjølstrup, Enok J. H.; Søndergaard, Thomas; Pedersen, Thomas G.

2018-03-01

Plasmons in ultranarrow metal gaps are highly sensitive to the electron density profile at the metal surfaces. Using a quantum mechanical approach and assuming local response, we study the effects of electron spill-out on gap plasmons and reflectance from ultrasharp metal grooves. We demonstrate that the mode index of ultranarrow gap plasmons converges to the bulk refractive index in the limit of vanishing gap and, thereby, rectify the unphysical divergence found in classical models. Surprisingly, spill-out also significantly increases the plasmonic absorption for few-nanometer gaps and lowers the reflectance from arrays of ultrasharp metal grooves. These findings are explained in terms of enhanced gap plasmon absorption taking place inside the gap 1-2 Å from the walls and delocalization near the groove bottom. Reflectance calculations taking spill-out into account are shown to be in much better agreement with measurements compared with classical models.

GaAs quantum dots in a GaP nanowire photodetector

NASA Astrophysics Data System (ADS)

Kuyanov, P.; McNamee, S. A.; LaPierre, R. R.

2018-03-01

We report the structural, optical and electrical properties of GaAs quantum dots (QDs) embedded along GaP nanowires. The GaP nanowires contained p-i-n junctions with 15 consecutively grown GaAs QDs within the intrinsic region. The nanowires were grown by molecular beam epitaxy using the self-assisted vapor-liquid-solid process. The crystal structure of the NWs alternated between twinned ZB and WZ as the composition along the NW alternated between the GaP barriers and the GaAs QDs, respectively, leading to a polytypic structure with a periodic modulation of the NW sidewall facets. Photodetector devices containing QDs showed absorption beyond the bandgap of GaP in comparison to nanowires without QDs. Voltage-dependent measurements suggested a field emission process of carriers from the QDs.

Magnon Spin Hall Magnetoresistance of a Gapped Quantum Paramagnet.

PubMed

Ulloa, Camilo; Duine, R A

2018-04-27

Motivated by recent experimental work, we consider spin transport between a normal metal and a gapped quantum paramagnet. We model the latter as the magnonic Mott-insulating phase of an easy-plane ferromagnetic insulator. We evaluate the spin current mediated by the interface exchange coupling between the ferromagnet and the adjacent normal metal. For the strongly interacting magnons that we consider, this spin current gives rise to a spin Hall magnetoresistance that strongly depends on the magnitude of the magnetic field, rather than its direction. This Letter may motivate electrical detection of the phases of quantum magnets and the incorporation of such materials into spintronic devices.

Magnon Spin Hall Magnetoresistance of a Gapped Quantum Paramagnet

NASA Astrophysics Data System (ADS)

Ulloa, Camilo; Duine, R. A.

2018-04-01

Motivated by recent experimental work, we consider spin transport between a normal metal and a gapped quantum paramagnet. We model the latter as the magnonic Mott-insulating phase of an easy-plane ferromagnetic insulator. We evaluate the spin current mediated by the interface exchange coupling between the ferromagnet and the adjacent normal metal. For the strongly interacting magnons that we consider, this spin current gives rise to a spin Hall magnetoresistance that strongly depends on the magnitude of the magnetic field, rather than its direction. This Letter may motivate electrical detection of the phases of quantum magnets and the incorporation of such materials into spintronic devices.

Efficient Online Optimized Quantum Control for Adiabatic Quantum Computation

NASA Astrophysics Data System (ADS)

Quiroz, Gregory

Adiabatic quantum computation (AQC) relies on controlled adiabatic evolution to implement a quantum algorithm. While control evolution can take many forms, properly designed time-optimal control has been shown to be particularly advantageous for AQC. Grover's search algorithm is one such example where analytically-derived time-optimal control leads to improved scaling of the minimum energy gap between the ground state and first excited state and thus, the well-known quadratic quantum speedup. Analytical extensions beyond Grover's search algorithm present a daunting task that requires potentially intractable calculations of energy gaps and a significant degree of model certainty. Here, an in situ quantum control protocol is developed for AQC. The approach is shown to yield controls that approach the analytically-derived time-optimal controls for Grover's search algorithm. In addition, the protocol's convergence rate as a function of iteration number is shown to be essentially independent of system size. Thus, the approach is potentially scalable to many-qubit systems.

Determination of band structure parameters and the quasi-particle gap of CdSe quantum dots by cyclic voltammetry.

PubMed

Inamdar, Shaukatali N; Ingole, Pravin P; Haram, Santosh K

2008-12-01

Band structure parameters such as the conduction band edge, the valence band edge and the quasi-particle gap of diffusing CdSe quantum dots (Q-dots) of various sizes were determined using cyclic voltammetry. These parameters are strongly dependent on the size of the Q-dots. The results obtained from voltammetric measurements are compared to spectroscopic and theoretical data. The fit obtained to the reported calculations based on the semi-empirical pseudopotential method (SEPM)-especially in the strong size-confinement region, is the best reported so far, according to our knowledge. For the smallest CdSe Q-dots, the difference between the quasi-particle gap and the optical band gap gives the electron-hole Coulombic interaction energy (J(e1,h1)). Interband states seen in the photoluminescence spectra were verified with cyclic voltammetry measurements.

Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator.

PubMed

Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao; Li, Sheng-shi; Yan, Shi-shen; Li, Ping; Wang, Pei-ji

2016-02-17

Group III-V films are of great importance for their potential application in spintronics and quantum computing. Search for two-dimensional III-V films with a nontrivial large-gap are quite crucial for the realization of dissipationless transport edge channels using quantum spin Hall (QSH) effects. Here we use first-principles calculations to predict a class of large-gap QSH insulators in functionalized TlSb monolayers (TlSbX2; (X = H, F, Cl, Br, I)), with sizable bulk gaps as large as 0.22~0.40 eV. The QSH state is identified by Z2 topological invariant together with helical edge states induced by spin-orbit coupling (SOC). Noticeably, the inverted band gap in the nontrivial states can be effectively tuned by the electric field and strain. Additionally, these films on BN substrate also maintain a nontrivial QSH state, which harbors a Dirac cone lying within the band gap. These findings may shed new light in future design and fabrication of QSH insulators based on two-dimensional honeycomb lattices in spintronics.

Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator

PubMed Central

Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao; Li, Sheng-shi; Yan, Shi-shen; Li, Ping; Wang, Pei-ji

2016-01-01

Group III-V films are of great importance for their potential application in spintronics and quantum computing. Search for two-dimensional III-V films with a nontrivial large-gap are quite crucial for the realization of dissipationless transport edge channels using quantum spin Hall (QSH) effects. Here we use first-principles calculations to predict a class of large-gap QSH insulators in functionalized TlSb monolayers (TlSbX2; (X = H, F, Cl, Br, I)), with sizable bulk gaps as large as 0.22 ~ 0.40 eV. The QSH state is identified by Z2 topological invariant together with helical edge states induced by spin-orbit coupling (SOC). Noticeably, the inverted band gap in the nontrivial states can be effectively tuned by the electric field and strain. Additionally, these films on BN substrate also maintain a nontrivial QSH state, which harbors a Dirac cone lying within the band gap. These findings may shed new light in future design and fabrication of QSH insulators based on two-dimensional honeycomb lattices in spintronics. PMID:26882865

Quantum funneling in blended multi-band gap core/shell colloidal quantum dot solar cells

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

Neo, Darren C. J.; Assender, Hazel E.; Watt, Andrew A. R., E-mail: Andrew.watt@materials.ox.ac.uk

2015-09-07

Multi-band gap heterojunction solar cells fabricated from a blend of 1.2 eV and 1.4 eV PbS colloidal quantum dots (CQDs) show poor device performance due to non-radiative recombination. To overcome this, a CdS shell is epitaxially formed around the PbS core using cation exchange. From steady state and transient photoluminescence measurements, we understand the nature of charge transfer between these quantum dots. Photoluminescence decay lifetimes are much longer in the PbS/CdS core/shell blend compared to PbS only, explained by a reduction in non-radiative recombination resulting from CdS surface passivation. PbS/CdS heterojunction devices sustain a higher open-circuit voltage and lower reverse saturation currentmore » as compared to PbS-only devices, implying lower recombination rates. Further device performance enhancement is attained by modifying the composition profile of the CQD species in the absorbing layer resulting in a three dimensional quantum cascade structure.« less

The effect of exchange interaction on quasiparticle Landau levels in narrow-gap quantum well heterostructures.

PubMed

Krishtopenko, S S; Gavrilenko, V I; Goiran, M

2012-04-04

Using the 'screened' Hartree-Fock approximation based on the eight-band k·p Hamiltonian, we have extended our previous work (Krishtopenko et al 2011 J. Phys.: Condens. Matter 23 385601) on exchange enhancement of the g-factor in narrow-gap quantum well heterostructures by calculating the exchange renormalization of quasiparticle energies, the density of states at the Fermi level and the quasiparticle g-factor for different Landau levels overlapping. We demonstrate that exchange interaction yields more pronounced Zeeman splitting of the density of states at the Fermi level and leads to the appearance of peak-shaped features in the dependence of the Landau level energies on the magnetic field at integer filling factors. We also find that the quasiparticle g-factor does not reach the maximum value at odd filling factors in the presence of large overlapping of spin-split Landau levels. We advance an argument that the behavior of the quasiparticle g-factor in weak magnetic fields is defined by a random potential of impurities in narrow-gap heterostructures. © 2012 IOP Publishing Ltd

Quantum memories with zero-energy Majorana modes and experimental constraints

NASA Astrophysics Data System (ADS)

Ippoliti, Matteo; Rizzi, Matteo; Giovannetti, Vittorio; Mazza, Leonardo

2016-06-01

In this work we address the problem of realizing a reliable quantum memory based on zero-energy Majorana modes in the presence of experimental constraints on the operations aimed at recovering the information. In particular, we characterize the best recovery operation acting only on the zero-energy Majorana modes and the memory fidelity that can be therewith achieved. In order to understand the effect of such restriction, we discuss two examples of noise models acting on the topological system and compare the amount of information that can be recovered by accessing either the whole system, or the zero modes only, with particular attention to the scaling with the size of the system and the energy gap. We explicitly discuss the case of a thermal bosonic environment inducing a parity-preserving Markovian dynamics in which the memory fidelity achievable via a read-out of the zero modes decays exponentially in time, independent from system size. We argue, however, that even in the presence of said experimental limitations, the Hamiltonian gap is still beneficial to the storage of information.

Density-functional energy gaps of solids demystified

NASA Astrophysics Data System (ADS)

Perdew, John P.; Ruzsinszky, Adrienn

2018-06-01

The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

Activation energies for the ν=5/2 Fractional Quantum Hall Effect at 10 Tesla

NASA Astrophysics Data System (ADS)

Zhang, Chi; Du, R. R.; Pfeiffer, L. N.; West, K. W.

2010-03-01

We reported on the low-temperature magnetotransport in a high-purity (mobility ˜ 1x10^7cm^2/Vs) modulation-doped GaAs/AlGaAs quantum well with a high electron density (6x10^11 cm-2). A quantized ν=5/2 Hall plateau is observed at B ˜ 10 T, with an activation gap δ5/2˜ 125±10 mK; the plateau can persist up to ˜ 25^o tilt-field. We determined the activation energies δ and quasi-gap energies δ^quasi for the ν=5/2, 7/3, and 8/3 fractional quantum Hall states in tilted-magnetic field (θ). The δ5/2, δ7/3 and the δ5/2^quasi , δ7/3^quasi are found to decrease in θ. We will present the systematic data and discuss their implications on the spin-polarization of ν=5/2 states observed at 10 T.[4pt] [1] R. Willett, Phys. Rev. Lett. 59, 1776 (1987).[0pt] [2] W. Pan et al, Solid State Commun. 119, 641 (2001).

Bare Quantum Null Energy Condition

NASA Astrophysics Data System (ADS)

Fu, Zicao; Marolf, Donald

2018-02-01

The quantum null energy condition (QNEC) is a conjectured relation between a null version of quantum field theory energy and derivatives of quantum field theory von Neumann entropy. In some cases, divergences cancel between these two terms and the QNEC is intrinsically finite. We study the more general case here where they do not and argue that a QNEC can still hold for bare (unrenormalized) quantities. While the original QNEC applied only to locally stationary null congruences in backgrounds that solve semiclassical theories of quantum gravity, at least in the formal perturbation theory at a small Planck length, the quantum focusing conjecture can be viewed as the special case of our bare QNEC for which the metric is on shell.

Bare Quantum Null Energy Condition.

PubMed

Fu, Zicao; Marolf, Donald

2018-02-16

The quantum null energy condition (QNEC) is a conjectured relation between a null version of quantum field theory energy and derivatives of quantum field theory von Neumann entropy. In some cases, divergences cancel between these two terms and the QNEC is intrinsically finite. We study the more general case here where they do not and argue that a QNEC can still hold for bare (unrenormalized) quantities. While the original QNEC applied only to locally stationary null congruences in backgrounds that solve semiclassical theories of quantum gravity, at least in the formal perturbation theory at a small Planck length, the quantum focusing conjecture can be viewed as the special case of our bare QNEC for which the metric is on shell.

Giant electron-hole transport asymmetry in ultra-short quantum transistors.

PubMed

McRae, A C; Tayari, V; Porter, J M; Champagne, A R

2017-05-31

Making use of bipolar transport in single-wall carbon nanotube quantum transistors would permit a single device to operate as both a quantum dot and a ballistic conductor or as two quantum dots with different charging energies. Here we report ultra-clean 10 to 100 nm scale suspended nanotube transistors with a large electron-hole transport asymmetry. The devices consist of naked nanotube channels contacted with sections of tube under annealed gold. The annealed gold acts as an n-doping top gate, allowing coherent quantum transport, and can create nanometre-sharp barriers. These tunnel barriers define a single quantum dot whose charging energies to add an electron or a hole are vastly different (e-h charging energy asymmetry). We parameterize the e-h transport asymmetry by the ratio of the hole and electron charging energies η e-h . This asymmetry is maximized for short channels and small band gap tubes. In a small band gap device, we demonstrate the fabrication of a dual functionality quantum device acting as a quantum dot for holes and a much longer quantum bus for electrons. In a 14 nm-long channel, η e-h reaches up to 2.6 for a device with a band gap of 270 meV. The charging energies in this device exceed 100 meV.

Giant electron-hole transport asymmetry in ultra-short quantum transistors

PubMed Central

McRae, A. C.; Tayari, V.; Porter, J. M.; Champagne, A. R.

2017-01-01

Making use of bipolar transport in single-wall carbon nanotube quantum transistors would permit a single device to operate as both a quantum dot and a ballistic conductor or as two quantum dots with different charging energies. Here we report ultra-clean 10 to 100 nm scale suspended nanotube transistors with a large electron-hole transport asymmetry. The devices consist of naked nanotube channels contacted with sections of tube under annealed gold. The annealed gold acts as an n-doping top gate, allowing coherent quantum transport, and can create nanometre-sharp barriers. These tunnel barriers define a single quantum dot whose charging energies to add an electron or a hole are vastly different (e−h charging energy asymmetry). We parameterize the e−h transport asymmetry by the ratio of the hole and electron charging energies ηe−h. This asymmetry is maximized for short channels and small band gap tubes. In a small band gap device, we demonstrate the fabrication of a dual functionality quantum device acting as a quantum dot for holes and a much longer quantum bus for electrons. In a 14 nm-long channel, ηe−h reaches up to 2.6 for a device with a band gap of 270 meV. The charging energies in this device exceed 100 meV. PMID:28561024

Closing the energy gap through passive energy expenditure

USDA-ARS?s Scientific Manuscript database

Development of obesity is a gradual process occurring when daily energy intake persistently exceeds energy expenditure (EE). Typical daily weight gain is attributed to an energy gap or excess of stored energy of 15 to 50 kcal/day. Sedentary jobs likely promote weight gain. Standing may be a passive ...

Quantum transitions driven by one-bond defects in quantum Ising rings.

PubMed

Campostrini, Massimo; Pelissetto, Andrea; Vicari, Ettore

2015-04-01

We investigate quantum scaling phenomena driven by lower-dimensional defects in quantum Ising-like models. We consider quantum Ising rings in the presence of a bond defect. In the ordered phase, the system undergoes a quantum transition driven by the bond defect between a magnet phase, in which the gap decreases exponentially with increasing size, and a kink phase, in which the gap decreases instead with a power of the size. Close to the transition, the system shows a universal scaling behavior, which we characterize by computing, either analytically or numerically, scaling functions for the low-level energy differences and the two-point correlation function. We discuss the implications of these results for the nonequilibrium dynamics in the presence of a slowly varying parallel magnetic field h, when going across the first-order quantum transition at h=0.

Energy-constrained two-way assisted private and quantum capacities of quantum channels

NASA Astrophysics Data System (ADS)

Davis, Noah; Shirokov, Maksim E.; Wilde, Mark M.

2018-06-01

With the rapid growth of quantum technologies, knowing the fundamental characteristics of quantum systems and protocols is essential for their effective implementation. A particular communication setting that has received increased focus is related to quantum key distribution and distributed quantum computation. In this setting, a quantum channel connects a sender to a receiver, and their goal is to distill either a secret key or entanglement, along with the help of arbitrary local operations and classical communication (LOCC). In this work, we establish a general theory of energy-constrained, LOCC-assisted private and quantum capacities of quantum channels, which are the maximum rates at which an LOCC-assisted quantum channel can reliably establish a secret key or entanglement, respectively, subject to an energy constraint on the channel input states. We prove that the energy-constrained squashed entanglement of a channel is an upper bound on these capacities. We also explicitly prove that a thermal state maximizes a relaxation of the squashed entanglement of all phase-insensitive, single-mode input bosonic Gaussian channels, generalizing results from prior work. After doing so, we prove that a variation of the method introduced by Goodenough et al. [New J. Phys. 18, 063005 (2016), 10.1088/1367-2630/18/6/063005] leads to improved upper bounds on the energy-constrained secret-key-agreement capacity of a bosonic thermal channel. We then consider a multipartite setting and prove that two known multipartite generalizations of the squashed entanglement are in fact equal. We finally show that the energy-constrained, multipartite squashed entanglement plays a role in bounding the energy-constrained LOCC-assisted private and quantum capacity regions of quantum broadcast channels.

High Photoluminescence Quantum Yield in Band Gap Tunable Bromide Containing Mixed Halide Perovskites.

PubMed

Sutter-Fella, Carolin M; Li, Yanbo; Amani, Matin; Ager, Joel W; Toma, Francesca M; Yablonovitch, Eli; Sharp, Ian D; Javey, Ali

2016-01-13

Hybrid organic-inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low-cost solution processability. Here, we present a two-step low-pressure vapor-assisted solution process to grow high quality homogeneous CH3NH3PbI3-xBrx perovskite films over the full band gap range of 1.6-2.3 eV. Photoluminescence light-in versus light-out characterization techniques are used to provide new insights into the optoelectronic properties of Br-containing hybrid organic-inorganic perovskites as a function of optical carrier injection by employing pump-powers over a 6 orders of magnitude dynamic range. The internal luminescence quantum yield of wide band gap perovskites reaches impressive values up to 30%. This high quantum yield translates into substantial quasi-Fermi level splitting and high "luminescence or optically implied" open-circuit voltage. Most importantly, both attributes, high internal quantum yield and high optically implied open-circuit voltage, are demonstrated over the entire band gap range (1.6 eV ≤ Eg ≤ 2.3 eV). These results establish the versatility of Br-containing perovskite semiconductors for a variety of applications and especially for the use as high-quality top cell in tandem photovoltaic devices in combination with industry dominant Si bottom cells.

First principles study of edge carboxylated graphene quantum dots

NASA Astrophysics Data System (ADS)

Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

2018-05-01

The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated using density functional theory. The calculated binding energies show that the hexagonal clusters with armchair edges have the highest stability among all the quantum dots. The binding energy of carboxylated graphene quantum dots increases by increasing the number of carboxyl groups. Our study shows that the total dipole moment significantly increases by adding COOH with the highest value observed in triangular clusters. The edge states in triangular graphene quantum dots with zigzag edges produce completely different energy spectrum from other dots: (a) the energy gap in triangular zigzag is very small as compared to other clusters and (b) the highest occupied molecular orbital is localized at the edges which is in contrast to other clusters where it is distributed over the cluster surface. The enhanced reactivity and the controllable energy gap by shape and edge termination make graphene quantum dots ideal for various nanodevice applications such as sensors. The infrared spectra are presented to confirm the stability of the quantum dots.

Tuning electronic properties in graphene quantum dots by chemical functionalization: Density functional theory calculations

NASA Astrophysics Data System (ADS)

Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

2018-03-01

The energy gap and dipole moment of chemically functionalized graphene quantum dots are investigated by density functional theory. The energy gap can be tuned through edge passivation by different elements or groups. Edge passivation by oxygen considerably decreases the energy gap in hexagonal nanodots. Edge states in triangular quantum dots can also be manipulated by passivation with fluorine. The dipole moment depends on: (a) shape and edge termination of the quantum dot, (b) attached group, and (c) position to which the groups are attached. Depending on the position of attached groups, the total dipole can be increased, decreased, or eliminated.

Numerical investigation of gapped edge states in fractional quantum Hall-superconductor heterostructures

NASA Astrophysics Data System (ADS)

Repellin, Cécile; Cook, Ashley M.; Neupert, Titus; Regnault, Nicolas

2018-03-01

Fractional quantum Hall-superconductor heterostructures may provide a platform towards non-abelian topological modes beyond Majoranas. However their quantitative theoretical study remains extremely challenging. We propose and implement a numerical setup for studying edge states of fractional quantum Hall droplets with a superconducting instability. The fully gapped edges carry a topological degree of freedom that can encode quantum information protected against local perturbations. We simulate such a system numerically using exact diagonalization by restricting the calculation to the quasihole-subspace of a (time-reversal symmetric) bilayer fractional quantum Hall system of Laughlin ν = 1/3 states. We show that the edge ground states are permuted by spin-dependent flux insertion and demonstrate their fractional 6π Josephson effect, evidencing their topological nature and the Cooper pairing of fractionalized quasiparticles. The versatility and efficiency of our setup make it a well suited method to tackle wider questions of edge phases and phase transitions in fractional quantum Hall systems.

Energy-efficient quantum computing

NASA Astrophysics Data System (ADS)

Ikonen, Joni; Salmilehto, Juha; Möttönen, Mikko

2017-04-01

In the near future, one of the major challenges in the realization of large-scale quantum computers operating at low temperatures is the management of harmful heat loads owing to thermal conduction of cabling and dissipation at cryogenic components. This naturally raises the question that what are the fundamental limitations of energy consumption in scalable quantum computing. In this work, we derive the greatest lower bound for the gate error induced by a single application of a bosonic drive mode of given energy. Previously, such an error type has been considered to be inversely proportional to the total driving power, but we show that this limitation can be circumvented by introducing a qubit driving scheme which reuses and corrects drive pulses. Specifically, our method serves to reduce the average energy consumption per gate operation without increasing the average gate error. Thus our work shows that precise, scalable control of quantum systems can, in principle, be implemented without the introduction of excessive heat or decoherence.

Broadband energy transfer to sensitizing dyes by mobile quantum dot mediators in solar cells

PubMed Central

Adhyaksa, Gede Widia Pratama; Lee, Ga In; Baek, Se-Woong; Lee, Jung-Yong; Kang, Jeung Ku

2013-01-01

The efficiency of solar cells depends on absorption intensity of the photon collectors. Herein, mobile quantum dots (QDs) functionalized with thiol ligands in electrolyte are utilized into dye–sensitized solar cells. The QDs serve as mediators to receive and re–transmit energy to sensitized dyes, thus amplifying photon collection of sensitizing dyes in the visible range and enabling up–conversion of low-energy photons to higher-energy photons for dye absorption. The cell efficiency is boosted by dispersing QDs in electrolyte, thereby obviating the need for light scattering1 or plasmonic2 structures. Furthermore, optical spectroscopy and external quantum efficiency data reveal that resonance energy transfer due to the overlap between QD emission and dye absorption spectra becomes dominant when the QD bandgap is higher than the first excitonic peak of the dye, while co–sensitization resulting in a fast reduction of oxidized dyes is pronounced in the case of lower QD band gaps. PMID:24048384

Topological gapped edge states in fractional quantum Hall-superconductor heterostructures

NASA Astrophysics Data System (ADS)

Cook, Ashley; Repellin, Cécile; Regnault, Nicolas; Neupert, Titus

We propose and implement a numerical setup for studying edge states of fractional quantum Hall droplets with a superconducting instability. We focus on a time-reversal symmetric bilayer fractional quantum Hall system of Laughlin ν = 1 / 3 states. The fully gapped edges carry a topological parafermionic degree of freedom that can encode quantum information protected against local perturbations. We numerically simulate such a system using exact diagonalization by restricting the calculation to the Laughlin quasihole subspace. We study the quantization of the total charge on each edge and show that the ground states are permuted by spin flux insertion and the parafermionic Josephson effect, evidencing their topological nature and the Cooper pairing of fractionalized quasiparticles. The full affiliation for Author 3 is: Laboratoire Pierre Aigrain, Ecole Normale Supérieure-PSL Research University, CNRS, Université Pierre et Marie Curie-Sorbonne Universités, Université Paris Diderot-Sorbonne Paris Cité, 24 rue Lhomond, 75231 Paris.

Gap state analysis in electric-field-induced band gap for bilayer graphene.

PubMed

Kanayama, Kaoru; Nagashio, Kosuke

2015-10-29

The origin of the low current on/off ratio at room temperature in dual-gated bilayer graphene field-effect transistors is considered to be the variable range hopping in gap states. However, the quantitative estimation of gap states has not been conducted. Here, we report the systematic estimation of the energy gap by both quantum capacitance and transport measurements and the density of states for gap states by the conductance method. An energy gap of ~ 250 meV is obtained at the maximum displacement field of ~ 3.1 V/nm, where the current on/off ratio of ~ 3 × 10(3) is demonstrated at 20 K. The density of states for the gap states are in the range from the latter half of 10(12) to 10(13) eV(-1) cm(-2). Although the large amount of gap states at the interface of high-k oxide/bilayer graphene limits the current on/off ratio at present, our results suggest that the reduction of gap states below ~ 10(11) eV(-1) cm(-2) by continual improvement of the gate stack makes bilayer graphene a promising candidate for future nanoelectronic device applications.

Narrow Energy Gap between Triplet and Singlet Excited States of Sn2+ in Borate Glass

PubMed Central

Masai, Hirokazu; Yamada, Yasuhiro; Suzuki, Yuto; Teramura, Kentaro; Kanemitsu, Yoshihiko; Yoko, Toshinobu

2013-01-01

Transparent inorganic luminescent materials have attracted considerable scientific and industrial attention recently because of their high chemical durability and formability. However, photoluminescence dynamics of ns2-type ions in oxide glasses has not been well examined, even though they can exhibit high quantum efficiency. We report on the emission property of Sn2+-doped strontium borate glasses. Photoluminescence dynamics studies show that the peak energy of the emission spectrum changes with time because of site distribution of emission centre in glass. It is also found that the emission decay of the present glass consists of two processes: a faster S1-S0 transition and a slower T1-S0 relaxation, and also that the energy difference between T1 and S1 states was found to be much smaller than that of (Sn, Sr)B6O10 crystals. We emphasize that the narrow energy gap between the S1 and T1 states provides the glass phosphor a high quantum efficiency, comparable to commercial crystalline phosphors. PMID:24345869

Energy loss in spark gap switches

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

Oreshkin, V. I., E-mail: oreshkin@ovpe.hcei.tsc.ru; Lavrinovich, I. V.; National Research Tomsk Polytechnic University, Lenin Avenue 30, 634050 Tomsk

2014-04-15

The paper reports on numerical study of the energy loss in spark gap switches. The operation of the switches is analyzed using the Braginsky model which allows calculation of the time dependence of the spark channel resistance. The Braginsky equation is solved simultaneously with generator circuit equations for different load types. Based on the numerical solutions, expressions which determine both the energy released in a spark gap switch and the switching time are derived.

Energy spectra of quantum rings.

PubMed

Fuhrer, A; Lüscher, S; Ihn, T; Heinzel, T; Ensslin, K; Wegscheider, W; Bichler, M

2001-10-25

Quantum mechanical experiments in ring geometries have long fascinated physicists. Open rings connected to leads, for example, allow the observation of the Aharonov-Bohm effect, one of the best examples of quantum mechanical phase coherence. The phase coherence of electrons travelling through a quantum dot embedded in one arm of an open ring has also been demonstrated. The energy spectra of closed rings have only recently been studied by optical spectroscopy. The prediction that they allow persistent current has been explored in various experiments. Here we report magnetotransport experiments on closed rings in the Coulomb blockade regime. Our experiments show that a microscopic understanding of energy levels, so far limited to few-electron quantum dots, can be extended to a many-electron system. A semiclassical interpretation of our results indicates that electron motion in the rings is governed by regular rather than chaotic motion, an unexplored regime in many-electron quantum dots. This opens a way to experiments where even more complex structures can be investigated at a quantum mechanical level.

Simulated quantum computation of molecular energies.

PubMed

Aspuru-Guzik, Alán; Dutoi, Anthony D; Love, Peter J; Head-Gordon, Martin

2005-09-09

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical interest using modest numbers of quantum bits. Calculations of the water and lithium hydride molecular ground-state energies have been carried out on a quantum computer simulator using a recursive phase-estimation algorithm. The recursive algorithm reduces the number of quantum bits required for the readout register from about 20 to 4. Mappings of the molecular wave function to the quantum bits are described. An adiabatic method for the preparation of a good approximate ground-state wave function is described and demonstrated for a stretched hydrogen molecule. The number of quantum bits required scales linearly with the number of basis functions, and the number of gates required grows polynomially with the number of quantum bits.

High Photoluminescence Quantum Yield in Band Gap Tunable Bromide Containing Mixed Halide Perovskites

DOE PAGES

Sutter-Fella, Carolin M.; Li, Yanbo; Amani, Matin; ...

2015-12-21

Hybrid organic-inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low-cost solution processability. Here, we present a two-step low-pressure vapor-assisted solution process to grow high quality homogeneous CH 3NH 3PbI 3-xBr x perovskite films over the full band gap range of 1.6-2.3 eV. Photoluminescence light-in versus light-out characterization techniques are used to provide new insights into the optoelectronic properties of Br-containing hybrid organic-inorganic perovskites as a function of optical carrier injection by employing pump-powers over a 6 orders of magnitude dynamicmore » range. The internal luminescence quantum yield of wide band gap perovskites reaches impressive values up to 30%. This high quantum yield translates into substantial quasi-Fermi level splitting and high "luminescence or optically implied" open-circuit voltage. Most importantly, both attributes, high internal quantum yield and high optically implied open-circuit voltage, are demonstrated over the entire band gap range (1.6 eV ≤ E g ≤ 2.3 eV). These results establish the versatility of Br-containing perovskite semiconductors for a variety of applications and especially for the use as high-quality top cell in tandem photovoltaic devices in combination with industry dominant Si bottom cells. (Figure Presented).« less

Optimal quantum operations at zero energy cost

NASA Astrophysics Data System (ADS)

Chiribella, Giulio; Yang, Yuxiang

2017-08-01

Quantum technologies are developing powerful tools to generate and manipulate coherent superpositions of different energy levels. Envisaging a new generation of energy-efficient quantum devices, here we explore how coherence can be manipulated without exchanging energy with the surrounding environment. We start from the task of converting a coherent superposition of energy eigenstates into another. We identify the optimal energy-preserving operations, both in the deterministic and in the probabilistic scenario. We then design a recursive protocol, wherein a branching sequence of energy-preserving filters increases the probability of success while reaching maximum fidelity at each iteration. Building on the recursive protocol, we construct efficient approximations of the optimal fidelity-probability trade-off, by taking coherent superpositions of the different branches generated by probabilistic filtering. The benefits of this construction are illustrated in applications to quantum metrology, quantum cloning, coherent state amplification, and ancilla-driven computation. Finally, we extend our results to transitions where the input state is generally mixed and we apply our findings to the task of purifying quantum coherence.

Effect of local minima on adiabatic quantum optimization.

PubMed

Amin, M H S

2008-04-04

We present a perturbative method to estimate the spectral gap for adiabatic quantum optimization, based on the structure of the energy levels in the problem Hamiltonian. We show that, for problems that have an exponentially large number of local minima close to the global minimum, the gap becomes exponentially small making the computation time exponentially long. The quantum advantage of adiabatic quantum computation may then be accessed only via the local adiabatic evolution, which requires phase coherence throughout the evolution and knowledge of the spectrum. Such problems, therefore, are not suitable for adiabatic quantum computation.

Rényi entropies and topological quantum numbers in 2D gapped Dirac materials

NASA Astrophysics Data System (ADS)

Bolívar, Juan Carlos; Romera, Elvira

2017-05-01

New topological quantum numbers are introduced by analyzing complexity measures and relative Rényi entropies in silicene in the presence of perpendicular electric and magnetic fields. These topological quantum numbers characterize the topological insulator and band insulator phases in silicene. In addition, we have found that, these information measures reach extremum values at the charge neutrality points. These results are valid for other 2D gapped Dirac materials analogous to silicene with a buckled honeycomb structure and a significant spin-orbit coupling.

Free energy gap laws for the pulse-induced and stationary fluorescence quenching by reversible charge transfer in polar solutions.

PubMed

Khokhlova, Svetlana S; Burshtein, Anatoly I

2011-01-21

The Stern-Volmer constants for either pulse-induced or stationary fluorescence being quenched by a contact charge transfer are calculated and their free energy dependencies (the free energy gap laws) are specified. The reversibility of charge transfer is taken into account as well as spin conversion in radical ion pairs, followed by their recombination in either singlet or triplet neutral products. The natural decay of triplets as well as their impurity quenching by ionization are accounted for when estimating the fluorescence quantum yield and its free energy dependence.

Tuning energy relaxation along quantum Hall channels.

PubMed

Altimiras, C; le Sueur, H; Gennser, U; Cavanna, A; Mailly, D; Pierre, F

2010-11-26

The chiral edge channels in the quantum Hall regime are considered ideal ballistic quantum channels, and have quantum information processing potentialities. Here, we demonstrate experimentally, at a filling factor of ν(L)=2, the efficient tuning of the energy relaxation that limits quantum coherence and permits the return toward equilibrium. Energy relaxation along an edge channel is controllably enhanced by increasing its transmission toward a floating Ohmic contact, in quantitative agreement with predictions. Moreover, by forming a closed inner edge channel loop, we freeze energy exchanges in the outer channel. This result also elucidates the inelastic mechanisms at work at ν(L)=2, informing us, in particular, that those within the outer edge channel are negligible.

Microscopic theory of multiple-phonon-mediated dephasing and relaxation of quantum dots near a photonic band gap

NASA Astrophysics Data System (ADS)

Roy, Chiranjeeb; John, Sajeev

2010-02-01

We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption line shape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the “colored” electromagnetic vacuum of a photonic band-gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to an enhanced lifetime of a photon-atom bound state in a PBG. This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (breakup of phonons into lower energy phonons) and purely nonradiative decay. We also derive the modified polarization decay and dephasing rates in the presence of such damping. This leads to a microscopic, quantum theory of the optical absorption line shapes. Our model and formalism provide a starting point for describing dephasing and relaxation in the presence of external coherent fields and multiple quantum dot interactions in electromagnetic reservoirs with radiative memory effects.

Thermoelectric energy harvesting with quantum dots

NASA Astrophysics Data System (ADS)

Sothmann, Björn; Sánchez, Rafael; Jordan, Andrew N.

2015-01-01

We review recent theoretical work on thermoelectric energy harvesting in multi-terminal quantum-dot setups. We first discuss several examples of nanoscale heat engines based on Coulomb-coupled conductors. In particular, we focus on quantum dots in the Coulomb-blockade regime, chaotic cavities and resonant tunneling through quantum dots and wells. We then turn toward quantum-dot heat engines that are driven by bosonic degrees of freedom such as phonons, magnons and microwave photons. These systems provide interesting connections to spin caloritronics and circuit quantum electrodynamics.

Quantum fluctuations and the closing of the Coulomb gap in a correlated insulator.

PubMed

Roy, A S; Hoekstra, A F Th; Rosenbaum, T F; Griessen, R

2002-12-30

The "switchable mirror" yttrium hydride is one of the few strongly correlated systems with a continuous Mott-Hubbard metal-insulator transition. We systematically map out the low temperature electrical transport from deep in the insulator to the quantum critical point using persistent photoconductivity as a drive parameter. Both activated hopping over a Coulomb gap and power-law quantum fluctuations must be included to describe the data. Collapse of the data onto a universal curve within a dynamical scaling framework (with corrections) requires znu=6.0+/-0.5, where nu and z are the static and dynamical critical exponents, respectively.

Study of quantum confinement effects in ZnO nanostructures

NASA Astrophysics Data System (ADS)

Movlarooy, Tayebeh

2018-03-01

Motivation to fact that zinc oxide nanowires and nanotubes with successful synthesis and the mechanism of formation, stability and electronic properties have been investigated; in this study the structural, electronic properties and quantum confinement effects of zinc oxide nanotubes and nanowires with different diameters are discussed. The calculations within density functional theory and the pseudo potential approximation are done. The electronic structure and energy gap for Armchair and zigzag ZnO nanotubes with a diameter of about 4 to 55 Angstrom and ZnO nanowires with a diameter range of 4 to 23 Å is calculated. The results revealed that due to the quantum confinement effects, by reducing the diameter of nanowires and nanotubes, the energy gap increases. Zinc oxide semiconductor nanostructures since having direct band gap with size-dependent and quantum confinement effect are recommended as an appropriate candidate for making nanoscale optoelectronic devices.

Origins of low energy-transfer efficiency between patterned GaN quantum well and CdSe quantum dots

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

Xu, Xingsheng, E-mail: xsxu@semi.ac.cn

For hybrid light emitting devices (LEDs) consisting of GaN quantum wells and colloidal quantum dots, it is necessary to explore the physical mechanisms causing decreases in the quantum efficiencies and the energy transfer efficiency between a GaN quantum well and CdSe quantum dots. This study investigated the electro-luminescence for a hybrid LED consisting of colloidal quantum dots and a GaN quantum well patterned with photonic crystals. It was found that both the quantum efficiency of colloidal quantum dots on a GaN quantum well and the energy transfer efficiency between the patterned GaN quantum well and the colloidal quantum dots decreasedmore » with increases in the driving voltage or the driving time. Under high driving voltages, the decreases in the quantum efficiency of the colloidal quantum dots and the energy transfer efficiency can be attributed to Auger recombination, while those decreases under long driving time are due to photo-bleaching and Auger recombination.« less

Quasiparticle Energies and Band Gaps in Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.

2007-11-01

We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.

Aqueous synthesis of III-V semiconductor GaP and InP exhibiting pronounced quantum confinement.

PubMed

Gao, Shanmin; Lu, Jun; Chen, Nan; Zhao, Yan; Xie, Yi

2002-12-21

A mild aqueous synthesis route was successfully established to synthesize well crystallized and monodisperse GaP and InP nanocrystals, which were proved to exhibit pronounced quantum confinement by room-temperature UV/Vis adsorption and photoluminescence (PL) spectra.

Dynamic response functions, helical gaps, and fractional charges in quantum wires

NASA Astrophysics Data System (ADS)

Meng, Tobias; Pedder, Christopher J.; Tiwari, Rakesh P.; Schmidt, Thomas L.

We show how experimentally accessible dynamic response functions can discriminate between helical gaps due to magnetic field, and helical gaps driven by electron-electron interactions (''umklapp gaps''). The latter are interesting since they feature gapped quasiparticles of fractional charge e / 2 , and - when coupled to a standard superconductor - an 8 π-Josephson effect and topological zero energy states bound to interfaces. National Research Fund, Luxembourg (ATTRACT 7556175), Deutsche Forschungsgemeinschaft (GRK 1621 and SFB 1143), Swiss National Science Foundation.

Energy transmission using recyclable quantum entanglement

PubMed Central

Ye, Ming-Yong; Lin, Xiu-Min

2016-01-01

It is known that faster-than-light (FTL) transmission of energy could be achieved if the transmission were considered in the framework of non-relativistic classical mechanics. Here we show that FTL transmission of energy could also be achieved if the transmission were considered in the framework of non-relativistic quantum mechanics. In our transmission protocol a two-spin Heisenberg model is considered and the energy is transmitted by two successive local unitary operations on the initially entangled spins. Our protocol does not mean that FTL transmission can be achieved in reality when the theory of relativity is considered, but it shows that quantum entanglement can be used in a recyclable way in energy transmission. PMID:27465431

Unexpected Giant-Gap Quantum Spin Hall Insulator in Chemically Decorated Plumbene Monolayer

PubMed Central

Zhao, Hui; Zhang, Chang-wen; Ji, Wei-xiao; Zhang, Run-wu; Li, Sheng-shi; Yan, Shi-shen; Zhang, Bao-min; Li, Ping; Wang, Pei-ji

2016-01-01

Quantum spin Hall (QSH) effect of two-dimensional (2D) materials features edge states that are topologically protected from backscattering by time-reversal symmetry. However, the major obstacles to the application for QSH effect are the lack of suitable QSH insulators with a large bulk gap. Here, we predict a novel class of 2D QSH insulators in X-decorated plumbene monolayers (PbX; X = H, F, Cl, Br, I) with extraordinarily giant bulk gaps from 1.03 eV to a record value of 1.34 eV. The topological characteristic of PbX mainly originates from s-px,y band inversion related to the lattice symmetry, while the effect of spin-orbital coupling (SOC) is only to open up a giant gap. Their QSH states are identified by nontrivial topological invariant Z2 = 1, as well as a single pair of topologically protected helical edge states locating inside the bulk gap. Noticeably, the QSH gaps of PbX are tunable and robust via external strain. We also propose high-dielectric-constant BN as an ideal substrate for the experimental realization of PbX, maintaining its nontrivial topology. These novel QSH insulators with giant gaps are a promising platform to enrich topological phenomena and expand potential applications at high temperature. PMID:26833133

Quantum Sensing for High Energy Physics

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

van Bibber, Karl; Boshier, Malcolm; Demarteau, Marcel

The Coordinating Panel for Advanced Detectors (CPAD) of the APS Division of Particles and Fields organized a first workshop on Quantum Sensing for High Energy Physics (HEP) in early December 2017 at Argonne National Laboratory. Participants from universities and national labs were drawn from the intersecting fields of Quantum Information Science (QIS), high energy physics, atomic, molecular and optical physics, condensed matter physics, nuclear physics and materials science. Quantum-enabled science and technology has seen rapid technical advances and growing national interest and investments over the last few years. The goal of the workshop was to bring the various communities togethermore » to investigate pathways to integrate the expertise of these two disciplines to accelerate the mutual advancement of scientific progress.« less

Interband emission energy in a dilute nitride quaternary semiconductor quantum dot for longer wavelength applications

NASA Astrophysics Data System (ADS)

Mageshwari, P. Uma; Peter, A. John; Lee, Chang Woo; Duque, C. A.

2016-07-01

Excitonic properties are studied in a strained Ga1-xInxNyAs1-y/GaAs cylindrical quantum dot. The optimum condition for the desired band alignment for emitting wavelength 1.55 μm is investigated using band anticrossing model and the model solid theory. The band gap and the band discontinuities of a Ga1-xInxNyAs1-y/GaAs quantum dot on GaAs are computed with the geometrical confinement effect. The binding energy of the exciton, the oscillator strength and its radiative life time for the optimum condition are found taking into account the spatial confinement effect. The effects of geometrical confinement and the nitrogen incorporation on the interband emission energy are brought out. The result shows that the desired band alignment for emitting wavelength 1.55 μm is achieved for the inclusion of alloy contents, y=0.0554% and x=0.339% in Ga1-xInxNyAs1-y/GaAs quantum dot. And the incorporation of nitrogen and indium shows the red-shift and the geometrical confinement shows the blue-shift. And it can be applied for fibre optical communication networks.

Four-electron model for singlet and triplet excitation energy transfers with inclusion of coherence memory, inelastic tunneling and nuclear quantum effects

NASA Astrophysics Data System (ADS)

Suzuki, Yosuke; Ebina, Kuniyoshi; Tanaka, Shigenori

2016-08-01

A computational scheme to describe the coherent dynamics of excitation energy transfer (EET) in molecular systems is proposed on the basis of generalized master equations with memory kernels. This formalism takes into account those physical effects in electron-bath coupling system such as the spin symmetry of excitons, the inelastic electron tunneling and the quantum features of nuclear motions, thus providing a theoretical framework to perform an ab initio description of EET through molecular simulations for evaluating the spectral density and the temporal correlation function of electronic coupling. Some test calculations have then been carried out to investigate the dependence of exciton population dynamics on coherence memory, inelastic tunneling correlation time, magnitude of electronic coupling, quantum correction to temporal correlation function, reorganization energy and energy gap.

Tuning the energy band gap of ternary alloyed Cd1-xPbxS quantum dots for photovoltaic applications

NASA Astrophysics Data System (ADS)

Badawi, Ali

2016-02-01

Tuning the energy band gap of ternary alloyed Cd1-xPbxS (x: 0, 0.33, 0.5, 0.67 and 1) quantum dots (QDs) for photovoltaic applications is studied. Alloyed Cd1-xPbxS QDs were adsorbed onto TiO2 nanoparticles (NPs) using ssuccessive ionic layer adsorption and reaction (SILAR) methode. EDX measurements ensure the success adsorption of alloyed Cd1-xPbxS QDs onto the TiO2 electrode. At 100 mW/cm2 (AM 1.5) sun illumination, the photovoltaic performance of alloyed Cd1-xPbxS QDs sensitized solar cells (QDSSCs) was measured. The maximum values of Jsc (1.92 mA/cm2) and η (0.36%) for the alloyed Cd1-xPbxS QDSSCs were obtained when the molar ratio of Cd/Pb is 0.33/0.67. the open circuit voltage (Voc) is equal 0.61 ± 0.01 V for all alloyed Cd1-xPbxS QDSSCs. The electron back recombination rates decrease considerably for alloyed Cd1-xPbxS QDSSCs as x value increases, peaking at 0.67. The electron lifetime (τ) for Cd0.33Pb0.67S QDSSCs is one order of magnitude larger than that of the other alloyed Cd1-xPbxS QDSSCs with different x value. Under ON-OFF cycles to solar illumination, the open circuit voltage decay measurements show the high sensitivity and reproducibility of alloyed Cd1-xPbxS QDSSCs.

Photosynthetic Energy Transfer at the Quantum/Classical Border.

PubMed

Keren, Nir; Paltiel, Yossi

2018-06-01

Quantum mechanics diverges from the classical description of our world when very small scales or very fast processes are involved. Unlike classical mechanics, quantum effects cannot be easily related to our everyday experience and are often counterintuitive to us. Nevertheless, the dimensions and time scales of the photosynthetic energy transfer processes puts them close to the quantum/classical border, bringing them into the range of measurable quantum effects. Here we review recent advances in the field and suggest that photosynthetic processes can take advantage of the sensitivity of quantum effects to the environmental 'noise' as means of tuning exciton energy transfer efficiency. If true, this design principle could be a base for 'nontrivial' coherent wave property nano-devices. Copyright © 2018 Elsevier Ltd. All rights reserved.

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.

Anisotropic-Strain-Induced Band Gap Engineering in Nanowire-Based Quantum Dots.

PubMed

Francaviglia, Luca; Giunto, Andrea; Kim, Wonjong; Romero-Gomez, Pablo; Vukajlovic-Plestina, Jelena; Friedl, Martin; Potts, Heidi; Güniat, Lucas; Tütüncüoglu, Gözde; Fontcuberta I Morral, Anna

2018-04-11

Tuning light emission in bulk and quantum structures by strain constitutes a complementary method to engineer functional properties of semiconductors. Here, we demonstrate the tuning of light emission of GaAs nanowires and their quantum dots up to 115 meV by applying strain through an oxide envelope. We prove that the strain is highly anisotropic and clearly results in a component along the NW longitudinal axis, showing good agreement with the equations of uniaxial stress. We further demonstrate that the strain strongly depends on the oxide thickness, the oxide intrinsic strain, and the oxide microstructure. We also show that ensemble measurements are fully consistent with characterizations at the single-NW level, further elucidating the general character of the findings. This work provides the basic elements for strain-induced band gap engineering and opens new avenues in applications where a band-edge shift is necessary.

Prediction of a Large-Gap and Switchable Kane-Mele Quantum Spin Hall Insulator

NASA Astrophysics Data System (ADS)

Marrazzo, Antimo; Gibertini, Marco; Campi, Davide; Mounet, Nicolas; Marzari, Nicola

2018-03-01

Fundamental research and technological applications of topological insulators are hindered by the rarity of materials exhibiting a robust topologically nontrivial phase, especially in two dimensions. Here, by means of extensive first-principles calculations, we propose a novel quantum spin Hall insulator with a sizable band gap of ˜0.5 eV that is a monolayer of jacutingaite, a naturally occurring layered mineral first discovered in 2008 in Brazil and recently synthesized. This system realizes the paradigmatic Kane-Mele model for quantum spin Hall insulators in a potentially exfoliable two-dimensional monolayer, with helical edge states that are robust and that can be manipulated exploiting a unique strong interplay between spin-orbit coupling, crystal-symmetry breaking, and dielectric response.

A Guess about light quantum model

NASA Astrophysics Data System (ADS)

Yongquan, Han

2016-03-01

Photon is a ring, the diameter of the ring is the quantum fluctuated wave length. The linear movement of the ring, namely, the transmission of light, is reflected in the particle of light. A plurality of light quantum interactions or through a very narrow gap, the shape of quantum would temporarily be changed. The motion of photons to interference and diffraction phenomena occurs is determined by the structure of light quantum, the quantum ring radius and light quantum mass squared product is a constant. The smaller the light quantum ring radius is, the bigger the quality is, just consistent as the modern scientific experimental results, the energy of the purple is bigger than the red. This conclusion can be extrapolated to all of the electromagnetic wave. The shorter the photon wavelength is, the bigger the quality and density is , when the wavelength is less than 10-15 meters, it will convergence to atomic or subatomic composition material entity due to the gravity. In fact, the divergence and convergence of quantum is reversible, that is, the phenomenon of radiate ``light'' quantum occurs due to the energy exchange or other external energy. Author: hanyongquan TEL: 15611860790.

Creating Very True Quantum Algorithms for Quantum Energy Based Computing

NASA Astrophysics Data System (ADS)

Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed; Diep, Do Ngoc

2018-04-01

An interpretation of quantum mechanics is discussed. It is assumed that quantum is energy. An algorithm by means of the energy interpretation is discussed. An algorithm, based on the energy interpretation, for fast determining a homogeneous linear function f( x) := s. x = s 1 x 1 + s 2 x 2 + ⋯ + s N x N is proposed. Here x = ( x 1, … , x N ), x j ∈ R and the coefficients s = ( s 1, … , s N ), s j ∈ N. Given the interpolation values (f(1), f(2),...,f(N))=ěc {y}, the unknown coefficients s = (s1(ěc {y}),\\dots , sN(ěc {y})) of the linear function shall be determined, simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Our method is based on the generalized Bernstein-Vazirani algorithm to qudit systems. Next, by using M parallel quantum systems, M homogeneous linear functions are determined, simultaneously. The speed of obtaining the set of M homogeneous linear functions is shown to outperform the classical case by a factor of N × M.

Creating Very True Quantum Algorithms for Quantum Energy Based Computing

NASA Astrophysics Data System (ADS)

Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed; Diep, Do Ngoc

2017-12-01

An interpretation of quantum mechanics is discussed. It is assumed that quantum is energy. An algorithm by means of the energy interpretation is discussed. An algorithm, based on the energy interpretation, for fast determining a homogeneous linear function f(x) := s.x = s 1 x 1 + s 2 x 2 + ⋯ + s N x N is proposed. Here x = (x 1, … , x N ), x j ∈ R and the coefficients s = (s 1, … , s N ), s j ∈ N. Given the interpolation values (f(1), f(2),...,f(N))=ěc {y}, the unknown coefficients s = (s1(ěc {y}),\\dots , sN(ěc {y})) of the linear function shall be determined, simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Our method is based on the generalized Bernstein-Vazirani algorithm to qudit systems. Next, by using M parallel quantum systems, M homogeneous linear functions are determined, simultaneously. The speed of obtaining the set of M homogeneous linear functions is shown to outperform the classical case by a factor of N × M.

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

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

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

Quantum strain sensor with a topological insulator HgTe quantum dot

PubMed Central

Korkusinski, Marek; Hawrylak, Pawel

2014-01-01

We present a theory of electronic properties of HgTe quantum dot and propose a strain sensor based on a strain-driven transition from a HgTe quantum dot with inverted bandstructure and robust topologically protected quantum edge states to a normal state without edge states in the energy gap. The presence or absence of edge states leads to large on/off ratio of conductivity across the quantum dot, tunable by adjusting the number of conduction channels in the source-drain voltage window. The electronic properties of a HgTe quantum dot as a function of size and applied strain are described using eight-band Luttinger and Bir-Pikus Hamiltonians, with surface states identified with chirality of Luttinger spinors and obtained through extensive numerical diagonalization of the Hamiltonian. PMID:24811674

Quantum Sensing for High Energy Physics

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

Ahmed, Zeeshan; et al.

Report of the first workshop to identify approaches and techniques in the domain of quantum sensing that can be utilized by future High Energy Physics applications to further the scientific goals of High Energy Physics.

Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

NASA Astrophysics Data System (ADS)

Azadi, Sam; Kühne, T. D.

2018-05-01

The magnitude of finite-size effects and Coulomb interactions in quantum Monte Carlo simulations of van der Waals interactions between weakly bonded benzene molecules are investigated. To that extent, two trial wave functions of the Slater-Jastrow and Backflow-Slater-Jastrow types are employed to calculate the energy-volume equation of state. We assess the impact of the backflow coordinate transformation on the nonlocal correlation energy. We found that the effect of finite-size errors in quantum Monte Carlo calculations on energy differences is particularly large and may even be more important than the employed trial wave function. In addition to the cohesive energy, the singlet excitonic energy gap and the energy gap renormalization of crystalline benzene at different densities are computed.

Crystal Phase Quantum Well Emission with Digital Control.

PubMed

Assali, S; Lähnemann, J; Vu, T T T; Jöns, K D; Gagliano, L; Verheijen, M A; Akopian, N; Bakkers, E P A M; Haverkort, J E M

2017-10-11

One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems.

Multipartite Entanglement in Topological Quantum Phases.

PubMed

Pezzè, Luca; Gabbrielli, Marco; Lepori, Luca; Smerzi, Augusto

2017-12-22

We witness multipartite entanglement in the ground state of the Kitaev chain-a benchmark model of a one dimensional topological superconductor-also with variable-range pairing, using the quantum Fisher information. Phases having a finite winding number, for both short- and long-range pairing, are characterized by a power-law diverging finite-size scaling of multipartite entanglement. Moreover, the occurring quantum phase transitions are sharply marked by the divergence of the derivative of the quantum Fisher information, even in the absence of a closing energy gap.

Computation of energy states of hydrogenic quantum dot with two-electrons

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

Yakar, Y., E-mail: yuyakar@yahoo.com; Özmen, A., E-mail: aozmen@selcuk.edu.tr; Çakır, B., E-mail: bcakir@selcuk.edu.tr

2016-03-25

In this study we have investigated the electronic structure of the hydrogenic quantum dot with two electrons inside an impenetrable potential surface. The energy eigenvalues and wavefunctions of the ground and excited states of spherical quantum dot have been calculated by using the Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) method, and the energies are investigated as a function of dot radius. The results show that as dot radius increases, the energy of quantum dot decreases.

Spectral Gap Energy Transfer in Atmospheric Boundary Layer

NASA Astrophysics Data System (ADS)

Bhushan, S.; Walters, K.; Barros, A. P.; Nogueira, M.

2012-12-01

Experimental measurements of atmospheric turbulence energy spectra show E(k) ~ k-3 slopes at synoptic scales (~ 600 km - 2000 km) and k-5/3 slopes at the mesoscales (< 400 km). The -5/3 spectra is presumably related to 3D turbulence which is dominated by the classical Kolmogrov energy cascade. The -3 spectra is related to 2D turbulence, which is dominated by strong forward scatter of enstrophy and weak forward scatter of energy. In classical 2D turbulence theory, it is expected that a strong backward energy cascade would develop at the synoptic scale, and that circulation would grow infinitely. To limit this backward transfer, energy arrest at macroscales must be introduced. The most commonly used turbulence models developed to mimic the above energy transfer include the energy backscatter model for 2D turbulence in the horizontal plane via Large Eddy Simulation (LES) models, dissipative URANS models in the vertical plane, and Ekman friction for the energy arrest. One of the controversial issues surrounding the atmospheric turbulence spectra is the explanation of the generation of the 2D and 3D spectra and transition between them, for energy injection at the synoptic scales. Lilly (1989) proposed that the existence of 2D and 3D spectra can only be explained by the presence of an additional energy injection in the meso-scale region. A second issue is related to the observations of dual peak spectra with small variance in meso-scale, suggesting that the energy transfer occurs across a spectral gap (Van Der Hoven, 1957). Several studies have confirmed the spectral gap for the meso-scale circulations, and have suggested that they are enhanced by smaller scale vertical convection rather than by the synoptic scales. Further, the widely accepted energy arrest mechanism by boundary layer friction is closely related to the spectral gap transfer. This study proposes an energy transfer mechanism for atmospheric turbulence with synoptic scale injection, wherein the generation

Energy-gap reduction in heavily doped silicon: Causes and consequences

NASA Astrophysics Data System (ADS)

Pantelides, Sokrates T.; Selloni, Annabella; Car, Roberto

1985-02-01

The authors review briefly the existing theoretical treatments of the various effects that contribute to the reduction of the energy gap in heavily doped Si, namely electron-electron and electron-impurity interactions and the effect of disorder in the impurity distribution. They then turn to the longstanding question why energy-gap reductions extracted from three different types of experiments have persistently produced values with substantial discrepancies, making it impossible to compare with theoretical values. First, they demonstrate that a meaningful comparison between theory and experiment can indeed be made if theoretical calculations are carried out for actual quantities that experiments measure, e.g. luminescence spectra, as recently done by Selloni and Pantelides. Then, they demonstrate that, independent of any theoretical calculations, the optical absorption spectra are fully consistent with the luminescence spectra and that the discrepancies in the energy-gap reductions extracted from the two sets of spectra are caused entirely by the curve-fitting procedures used in analyzing optical-absorption data. Finally, they show explicitly that, as already believed by many authors, energy-gap reductions extracted from electrical measurements on transistors do not correspond to true gap reductions. They identify two corrections that must be added to the values extracted from the electrical data in order to arrive at the true gap reductions and show that the resulting values are in good overall agreement with luminescence and absorption data. They, therefore, demonstrate that the observed reduction in emitter injection efficiency in bipolar transistors is not strictly due to a gap reduction, as generally believed, but to three very different effects.

Influence of quantum dot's quantum yield to chemiluminescent resonance energy transfer.

PubMed

Wang, Hai-Qiao; Li, Yong-Qiang; Wang, Jian-Hao; Xu, Qiao; Li, Xiu-Qing; Zhao, Yuan-Di

2008-03-03

The resonance energy transfer between chemiluminescence donor (luminol-H2O2 system) and quantum dots (QDs, emission at 593 nm) acceptors (CRET) was investigated. The resonance energy transfer efficiencies were compared while the oil soluble QDs, water soluble QDs (modified with thioglycolate) and QD-HRP conjugates were used as acceptor. The fluorescence of QD can be observed in the three cases, indicating that the CRET occurs while QD acceptor in different status was used. The highest CRET efficiency (10.7%) was obtained in the case of oil soluble QDs, and the lowest CRET efficiency (2.7%) was observed in the QD-HRP conjugates case. This result is coincident with the quantum yields of the acceptors (18.3% and 0.4%). The same result was observed in another similar set of experiment, in which the amphiphilic polymer modified QDs (emission at 675 nm) were used. It suggests that the quantum yield of the QD in different status is the crucial factor to the CRET efficiency. Furthermore, the multiplexed CRET between luminol donor and three different sizes QD acceptors was observed simultaneously. This work will offer useful support for improving the CRET studies based on quantum dots.

Adiabatic topological quantum computing

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

Cesare, Chris; Landahl, Andrew J.; Bacon, Dave

Topological quantum computing promises error-resistant quantum computation without active error correction. However, there is a worry that during the process of executing quantum gates by braiding anyons around each other, extra anyonic excitations will be created that will disorder the encoded quantum information. Here, we explore this question in detail by studying adiabatic code deformations on Hamiltonians based on topological codes, notably Kitaev’s surface codes and the more recently discovered color codes. We develop protocols that enable universal quantum computing by adiabatic evolution in a way that keeps the energy gap of the system constant with respect to the computationmore » size and introduces only simple local Hamiltonian interactions. This allows one to perform holonomic quantum computing with these topological quantum computing systems. The tools we develop allow one to go beyond numerical simulations and understand these processes analytically.« less

Adiabatic topological quantum computing

DOE PAGES

Cesare, Chris; Landahl, Andrew J.; Bacon, Dave; ...

2015-07-31

Topological quantum computing promises error-resistant quantum computation without active error correction. However, there is a worry that during the process of executing quantum gates by braiding anyons around each other, extra anyonic excitations will be created that will disorder the encoded quantum information. Here, we explore this question in detail by studying adiabatic code deformations on Hamiltonians based on topological codes, notably Kitaev’s surface codes and the more recently discovered color codes. We develop protocols that enable universal quantum computing by adiabatic evolution in a way that keeps the energy gap of the system constant with respect to the computationmore » size and introduces only simple local Hamiltonian interactions. This allows one to perform holonomic quantum computing with these topological quantum computing systems. The tools we develop allow one to go beyond numerical simulations and understand these processes analytically.« less

Development of Low Energy Gap and Fully Regioregular Polythienylenevinylene Derivative

DOE PAGES

David, Tanya M. S.; Zhang, Cheng; Sun, Sam-Shajing

2014-01-01

Low energy gap and fully regioregular conjugated polymers find its wide use in solar energy conversion applications. This paper will first briefly review this type of polymers and also report synthesis and characterization of a specific example new polymer, a low energy gap, fully regioregular, terminal functionalized, and processable conjugated polymer poly-(3-dodecyloxy-2,5-thienylene vinylene) or PDDTV. The polymer exhibited an optical energy gap of 1.46 eV based on the UV-vis-NIR absorption spectrum. The electrochemically measured highest occupied molecular orbital (HOMO) level is −4.79 eV, resulting in the lowest unoccupied molecular orbital (LUMO) level of −3.33 eV based on optical energy gap. The polymer wasmore » synthesized via Horner-Emmons condensation and is fairly soluble in common organic solvents such as tetrahydrofuran and chloroform with gentle heating. DSC showed two endothermic peaks at 67°C and 227°C that can be attributed to transitions between crystalline and liquid states. The polymer is thermally stable up to about 300°C. This polymer appears very promising for cost-effective solar cell applications.« less

Quantum self-organization and nuclear collectivities

NASA Astrophysics Data System (ADS)

Otsuka, T.; Tsunoda, Y.; Togashi, T.; Shimizu, N.; Abe, T.

2018-02-01

The quantum self-organization is introduced as one of the major underlying mechanisms of the quantum many-body systems. In the case of atomic nuclei as an example, two types of the motion of nucleons, single-particle states and collective modes, dominate the structure of the nucleus. The outcome of the collective mode is determined basically by the balance between the effect of the mode-driving force (e.g., quadrupole force for the ellipsoidal deformation) and the resistance power against it. The single-particle energies are one of the sources to produce such resistance power: a coherent collective motion is more hindered by larger gaps between relevant single particle states. Thus, the single-particle state and the collective mode are “enemies” each other. However, the nuclear forces are demonstrated to be rich enough so as to enhance relevant collective mode by reducing the resistance power by changing singleparticle energies for each eigenstate through monopole interactions. This will be verified with the concrete example taken from Zr isotopes. Thus, when the quantum self-organization occurs, single-particle energies can be self-organized, being enhanced by (i) two quantum liquids, e.g., protons and neutrons, (ii) two major force components, e.g., quadrupole interaction (to drive collective mode) and monopole interaction (to control resistance). In other words, atomic nuclei are not necessarily like simple rigid vases containing almost free nucleons, in contrast to the naïve Fermi liquid picture. Type II shell evolution is considered to be a simple visible case involving excitations across a (sub)magic gap. The quantum self-organization becomes more important in heavier nuclei where the number of active orbits and the number of active nucleons are larger. The quantum self-organization is a general phenomenon, and is expected to be found in other quantum systems.

Recent Developments in Quantum-Well Infrared Photodetectors

NASA Technical Reports Server (NTRS)

Gunapala, S. D.; Bandara, K. M. S. V.

1995-01-01

Intrinsic infrared (IR) detectors in the long wavelength range (8-20 Am) are based on an optically excited interband transition, which promotes an electron across the band gap (E(sub g)) from the valence band to the conduction band as shown. These photoelectrons can be collected efficiently, thereby producing a photocurrent in the external circuit. Since the incoming photon has to promote an electron from the valence band to the conduction band, the energy of the photon (h(sub upsilon)) must be higher than the E(sub g) of the photosensitive material. Therefore, the spectral response of the detectors can be controlled by controlling the E(sub g) of the photosensitive material. Examples for such materials are Hg(1-x), Cd(x), Te, and Pb(1-x), Sn(x), Te, in which the energy gap can be controlled by varying x. This means detection of very-long-wavelength IR radiation up to 20 microns requires small band gaps down to 62 meV. It is well known that these low band gap materials, characterized by weak bonding and low melting points, are more difficult to grow and process than large-band gap semiconductors such as GaAs. These difficulties motivate the exploration of utilizing the intersub-band transitions in multiquantum well (MQW) structures made of more refractory large-band gap semiconductors. The idea of using MQW structures to detect IR radiation can be explained by using the basic principles of quantum mechanics. The quantum well is equivalent to the well-known particle in a box problem in quantum mechanics, which can be solved by the time independent Schroudiner equation.

Photoluminescence Spectra From The Direct Energy Gap of a-SiQDs

NASA Astrophysics Data System (ADS)

Abdul-Ameer, Nidhal M.; Abdulrida, Moafak C.; Abdul-Hakeem, Shatha M.

2018-05-01

A theoretical model for radiative recombination in amorphous silicon quantum dots (a-SiQDs) was developed. In this model, for the first time, the coexistence of both spatial and quantum confinements were considered. Also, it is found that the photoluminescence exhibits significant size dependence in the range (1-4) nm of the quantum dots. a-SiQDs show visible light emission peak energies and high radiative quantum efficiency at room temperature,in contrast to bulk a-Si structures. The quantum efficiency is sensitive to any change in defect density (the volume nonradiative centers density and/or the surface nonradiative centers density) but, with small dots sizes, the quantum efficiency is insensitive to such defects. Our analysis shows that the photoluminescence intensity increases or decreases by the effect of radiative quantum efficiency. By controlling the size of a-SiQDs, we note that the energy of emission can be tuned. The blue shift is attributed to quantum confinement effect. Meanwhile, the spatial confinement effect is clearly observed in red shift in emission spectra. we found a good agreement with the experimental published data. Therefore, we assert that a-SiQDs material is a promising candidate for visible, tunable, and high performance devices of light emitting.

230 s room-temperature storage time and 1.14 eV hole localization energy in In{sub 0.5}Ga{sub 0.5}As quantum dots on a GaAs interlayer in GaP with an AlP barrier

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

Bonato, Leo, E-mail: leo.bonato@tu-berlin.de; Sala, Elisa M.; Stracke, Gernot

2015-01-26

A GaP n{sup +}p-diode containing In{sub 0.5}Ga{sub 0.5}As quantum dots (QDs) and an AlP barrier is characterized electrically, together with two reference samples: a simple n{sup +}p-diode and an n{sup +}p-diode with AlP barrier. Localization energy, capture cross-section, and storage time for holes in the QDs are determined using deep-level transient spectroscopy. The localization energy is 1.14(±0.04) eV, yielding a storage time at room temperature of 230(±60) s, which marks an improvement of 2 orders of magnitude compared to the former record value in QDs. Alternative material systems are proposed for still higher localization energies and longer storage times.

Tidal stresses and energy gaps in microstate geometries

NASA Astrophysics Data System (ADS)

Tyukov, Alexander; Walker, Robert; Warner, Nicholas P.

2018-02-01

We compute energy gaps and study infalling massive geodesic probes in the new families of scaling, microstate geometries that have been constructed recently and for which the holographic duals are known. We find that in the deepest geometries, which have the lowest energy gaps, the geodesic deviation shows that the stress reaches the Planck scale long before the probe reaches the cap of the geometry. Such probes must therefore undergo a stringy transition as they fall into microstate geometry. We discuss the scales associated with this transition and comment on the implications for scrambling in microstate geometries.

Energy behaviour of extraordinary waves in magnetized quantum plasmas

NASA Astrophysics Data System (ADS)

Moradi, Afshin

2018-05-01

We study the storage and flow of energy in a homogeneous magnetized quantum electron plasma that occurs when an elliptically polarized extraordinary electromagnetic wave propagates in the system. Expressions for the stored energy, energy flow, and energy velocity of extraordinary electromagnetic waves are derived by means of the quantum magnetohydrodynamics theory in conjunction with the Maxwell equations. Numerical results show that the energy flow of the high-frequency mode of extraordinary wave is modified only due to the Bohm potential in the short wavelength limit.

The Quantum Focussing Conjecture and Quantum Null Energy Condition

NASA Astrophysics Data System (ADS)

Koeller, Jason

Evidence has been gathering over the decades that spacetime and gravity are best understood as emergent phenomenon, especially in the context of a unified description of quantum mechanics and gravity. The Quantum Focussing Conjecture (QFC) and Quantum Null Energy Condition (QNEC) are two recently-proposed relationships between entropy and geometry, and energy and entropy, respectively, which further strengthen this idea. In this thesis, we study the QFC and the QNEC. We prove the QNEC in a variety of contexts, including free field theories on Killing horizons, holographic theories on Killing horizons, and in more general curved spacetimes. We also consider the implications of the QFC and QNEC in asymptotically flat space, where they constrain the information content of gravitational radiation arriving at null infinity, and in AdS/CFT, where they are related to other semiclassical inequalities and properties of boundary-anchored extremal area surfaces. It is shown that the assumption of validity and vacuum-state saturation of the QNEC for regions of flat space defined by smooth cuts of null planes implies a local formula for the modular Hamiltonian of these regions. We also demonstrate that the QFC as originally conjectured can be violated in generic theories in d ≥ 5, which led the way to an improved formulation subsequently suggested by Stefan Leichenauer.

Energy gap in graphene nanoribbons with structured external electric potentials

NASA Astrophysics Data System (ADS)

Apel, W.; Pal, G.; Schweitzer, L.

2011-03-01

The electronic properties of graphene zigzag nanoribbons with electrostatic potentials along the edges are investigated. Using the Dirac-fermion approach, we calculate the energy spectrum of an infinitely long nanoribbon of finite width w, terminated by Dirichlet boundary conditions in the transverse direction. We show that a structured external potential that acts within the edge regions of the ribbon can induce a spectral gap and thus switch the nanoribbon from metallic to insulating behavior. The basic mechanism of this effect is the selective influence of the external potentials on the spinorial wave functions that are topological in nature and localized along the boundary of the graphene nanoribbon. Within this single-particle description, the maximal obtainable energy gap is Emax∝πℏvF/w, i.e., ≈0.12 eV for w=15 nm. The stability of the spectral gap against edge disorder and the effect of disorder on the two-terminal conductance is studied numerically within a tight-binding lattice model. We find that the energy gap persists as long as the applied external effective potential is larger than ≃0.55×W, where W is a measure of the disorder strength. We argue that there is a transport gap due to localization effects even in the absence of a spectral gap.

Gate-defined quantum confinement in suspended bilayer graphene

NASA Astrophysics Data System (ADS)

Allen, M. T.; Martin, J.; Yacoby, A.

2012-07-01

Quantum-confined devices that manipulate single electrons in graphene are emerging as attractive candidates for nanoelectronics applications. Previous experiments have employed etched graphene nanostructures, but edge and substrate disorder severely limit device functionality. Here we present a technique that builds quantum-confined structures in suspended bilayer graphene with tunnel barriers defined by external electric fields that open a bandgap, thereby eliminating both edge and substrate disorder. We report clean quantum dot formation in two regimes: at zero magnetic field B using the energy gap induced by a perpendicular electric field and at B>0 using the quantum Hall ν=0 gap for confinement. Coulomb blockade oscillations exhibit periodicity consistent with electrostatic simulations based on local top-gate geometry, a direct demonstration of local control over the band structure of graphene. This technology integrates single electron transport with high device quality and access to vibrational modes, enabling broad applications from electromechanical sensors to quantum bits.

Complexity of the Quantum Adiabatic Algorithm

NASA Astrophysics Data System (ADS)

Hen, Itay

2013-03-01

The Quantum Adiabatic Algorithm (QAA) has been proposed as a mechanism for efficiently solving optimization problems on a quantum computer. Since adiabatic computation is analog in nature and does not require the design and use of quantum gates, it can be thought of as a simpler and perhaps more profound method for performing quantum computations that might also be easier to implement experimentally. While these features have generated substantial research in QAA, to date there is still a lack of solid evidence that the algorithm can outperform classical optimization algorihms. Here, we discuss several aspects of the quantum adiabatic algorithm: We analyze the efficiency of the algorithm on several ``hard'' (NP) computational problems. Studying the size dependence of the typical minimum energy gap of the Hamiltonians of these problems using quantum Monte Carlo methods, we find that while for most problems the minimum gap decreases exponentially with the size of the problem, indicating that the QAA is not more efficient than existing classical search algorithms, for other problems there is evidence to suggest that the gap may be polynomial near the phase transition. We also discuss applications of the QAA to ``real life'' problems and how they can be implemented on currently available (albeit prototypical) quantum hardware such as ``D-Wave One'', that impose serious restrictions as to which type of problems may be tested. Finally, we discuss different approaches to find improved implementations of the algorithm such as local adiabatic evolution, adaptive methods, local search in Hamiltonian space and others.

The calculation of band gap energy in zinc oxide films

NASA Astrophysics Data System (ADS)

Arif, Ali; Belahssen, Okba; Gareh, Salim; Benramache, Said

2015-01-01

We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 °C. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures from experimental data, which were published in international journals. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.

Energy gap law of electron transfer in nonpolar solvents.

PubMed

Tachiya, M; Seki, Kazuhiko

2007-09-27

We investigate the energy gap law of electron transfer in nonpolar solvents for charge separation and charge recombination reactions. In polar solvents, the reaction coordinate is given in terms of the electrostatic potentials from solvent permanent dipoles at solutes. In nonpolar solvents, the energy fluctuation due to solvent polarization is absent, but the energy of the ion pair state changes significantly with the distance between the ions as a result of the unscreened strong Coulomb potential. The electron transfer occurs when the final state energy coincides with the initial state energy. For charge separation reactions, the initial state is a neutral pair state, and its energy changes little with the distance between the reactants, whereas the final state is an ion pair state and its energy changes significantly with the mutual distance; for charge recombination reactions, vice versa. We show that the energy gap law of electron-transfer rates in nonpolar solvents significantly depends on the type of electron transfer.

Higgs amplitude mode in a two-dimensional quantum antiferromagnet near the quantum critical point

NASA Astrophysics Data System (ADS)

Hong, Tao; Matsumoto, Masashige; Qiu, Yiming; Chen, Wangchun; Gentile, Thomas R.; Watson, Shannon; Awwadi, Firas F.; Turnbull, Mark M.; Dissanayake, Sachith E.; Agrawal, Harish; Toft-Petersen, Rasmus; Klemke, Bastian; Coester, Kris; Schmidt, Kai P.; Tennant, David A.

2017-07-01

Spontaneous symmetry-breaking quantum phase transitions play an essential role in condensed-matter physics. The collective excitations in the broken-symmetry phase near the quantum critical point can be characterized by fluctuations of phase and amplitude of the order parameter. The phase oscillations correspond to the massless Nambu-Goldstone modes whereas the massive amplitude mode, analogous to the Higgs boson in particle physics, is prone to decay into a pair of low-energy Nambu-Goldstone modes in low dimensions. Especially, observation of a Higgs amplitude mode in two dimensions is an outstanding experimental challenge. Here, using inelastic neutron scattering and applying the bond-operator theory, we directly and unambiguously identify the Higgs amplitude mode in a two-dimensional S = 1/2 quantum antiferromagnet C9H18N2CuBr4 near a quantum critical point in two dimensions. Owing to an anisotropic energy gap, it kinematically prevents such decay and the Higgs amplitude mode acquires an infinite lifetime.

Theoretical and experimental evidence for a nodal energy gap in MgB2

NASA Astrophysics Data System (ADS)

Agassi, Y. Dan; Oates, Daniel E.

2017-11-01

We present a phenomenological model that strongly suggests that the smaller of the two energy gaps in MgB2, the so-called π gap, contains nodal lines with a six-fold symmetry (i-wave). The model also indicates that the larger gap, the so-called σ gap, is conventional s-wave. The model is an extension of the BCS gap equation that accounts for the elastic anisotropy in MgB2 and the Coulomb repulsion. It is based on a phononic pairing mechanism and assumes no coupling between the two energy gaps in MgB2 at zero temperature. All of the parameters of the model, such as sound velocities and masses, are independently determined material constants. The results agree with a previous ad-hoc hypothesis that the π energy gap has six nodal lines. That hypothesis was motivated by low-temperature measurements of the surface impedance and intermodulation distortion in high-quality thin films. We briefly review experimental evidence in the literature that is relevant to the energy-gap symmetry. We find that the evidence from the literature for s-wave is inconclusive. Our finding is that the π gap has six nodal lines.

Single quantum dot analysis enables multiplexed point mutation detection by gap ligase chain reaction.

PubMed

Song, Yunke; Zhang, Yi; Wang, Tza-Huei

2013-04-08

Gene point mutations present important biomarkers for genetic diseases. However, existing point mutation detection methods suffer from low sensitivity, specificity, and a tedious assay processes. In this report, an assay technology is proposed which combines the outstanding specificity of gap ligase chain reaction (Gap-LCR), the high sensitivity of single-molecule coincidence detection, and the superior optical properties of quantum dots (QDs) for multiplexed detection of point mutations in genomic DNA. Mutant-specific ligation products are generated by Gap-LCR and subsequently captured by QDs to form DNA-QD nanocomplexes that are detected by single-molecule spectroscopy (SMS) through multi-color fluorescence burst coincidence analysis, allowing for multiplexed mutation detection in a separation-free format. The proposed assay is capable of detecting zeptomoles of KRAS codon 12 mutation variants with near 100% specificity. Its high sensitivity allows direct detection of KRAS mutation in crude genomic DNA without PCR pre-amplification. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tuning the Energy Gap of SiCH3 Nanomaterials Under Elastic Strain

NASA Astrophysics Data System (ADS)

Ma, Shengqian; Li, Feng; Geng, Jiguo; Zhu, Mei; Li, Suyan; Han, Juguang

2018-05-01

SiCH3 nanomaterials have been studied using the density functional theory. When the nanosheets and nanoribbons (armchair and zigzag) are introduced, their energy gap is modulated under elastic strain and width. The results show that the band gap of SiCH3 nanomaterials can be easily tuned using elastic strains and widths. Surprisingly, the band gap can be modulated along two directions, namely, compressing and stretching. The band gap decreases when increasing stretching strain or decreasing compressing strain. In addition, the band gap decreases when increasing the nanoribbon width. For energy gap engineering, the band gap can be tuned by strains and widths. Therefore, the SiCH3 nanomaterials play important roles in potential applications for strain sensors, electronics, and optical electronics.

Energy Levels in Quantum Wells.

NASA Astrophysics Data System (ADS)

Zang, Jan Xin

Normalized analytical equations for eigenstates of an arbitrary one-dimensional configuration of square potentials in a well have been derived. The general formulation is used to evaluate the energy levels of a particle in a very deep potential well containing seven internal barriers. The configuration can be considered as a finite superlattice sample or as a simplified model for a sample with only several atom layers. The results are shown in graphical forms as functions of the height and width of the potential barriers and as functions of the ratio of the effective mass in barrier to the mass in well. The formation of energy bands and surface eigenstates from eigenstates of a deep single well, the coming close of two energy bands and a surface state which are separate ordinarily, and mixing of the wave function of a surface state with the bulk energy bands are seen. Then the normalized derivation is extended to study the effect of a uniform electric field applied across a one-dimensional well containing an internal configuration of square potentials The general formulation is used to calculate the electric field dependence of the energy levels of a deep well with five internal barriers. Typical results are shown in graphical forms as functions of the barrier height, barrier width, barrier effective mass and the field strength. The formation of Stark ladders and surface states from the eigenstates of a single deep well in an electric field, the localization process of wave functions with changing barrier height, width, and field strength and their anticrossing behaviors are seen. The energy levels of a hydrogenic impurity in a uniform medium and in a uniform magnetic field are calculated with variational methods. The energy eigenvalues for the eigenstates with major quantum number less than or equal to 3 are obtained. The results are consistent with previous results. Furthermore, the energy levels of a hydrogenic impurity at the bottom of a one

Gap length effect on electron energy distribution in capacitive radio frequency discharges

NASA Astrophysics Data System (ADS)

You, S. J.; Kim, S. S.; Kim, Jung-Hyung; Seong, Dae-Jin; Shin, Yong-Hyeon; Chang, H. Y.

2007-11-01

A study on the dependence of electron energy distribution function (EEDF) on discharge gap size in capacitive rf discharges was conducted. The evolution of the EEDF over a gap size range from 2.5to7cm in 65mTorr Ar discharges was investigated both experimentally and theoretically. The measured EEDFs exhibited typical bi-Maxwellian forms with low energy electron groups. A significant depletion in the low energy portion of the bi-Maxwellian was found with decreasing gap size. The results show that electron heating by bulk electric fields, which is the main heating process of the low-energy electrons, is greatly enhanced as the gap size decreases, resulting in the abrupt change of the EEDF. The calculated EEDFs based on nonlocal kinetic theory are in good agreement with the experiments.

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

PubMed

Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

2017-12-01

The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

Impact of the wetting layer thickness on the emission wavelength of direct band gap GeSn/Ge quantum dots

NASA Astrophysics Data System (ADS)

Ilahi, Bouraoui; Al-Saigh, Reem; Salem, Bassem

2017-07-01

The effects of the wetting layer thickness (t WL) on the electronic properties of direct band gap type-I strained dome shaped Ge(1-x)Sn x quantum dot (QD) embedded in Ge matrix is numerically studied. The emission wavelength and the energy difference between S and P electron levels have been evaluated as a function of t WL for different QD size and composition with constant height to diameter ratio. The emission wavelength is found to be red shifted by increasing the wetting layer thickness, with smaller size QD being more sensitive to the variation of t WL. Furthermore, the minimum Sn composition required to fit the directness criteria is found to reduce by increasing the wetting layer thickness.

The energy-level crossing behavior and quantum Fisher information in a quantum well with spin-orbit coupling.

PubMed

Wang, Z H; Zheng, Q; Wang, Xiaoguang; Li, Yong

2016-03-02

We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given.

The energy-level crossing behavior and quantum Fisher information in a quantum well with spin-orbit coupling

NASA Astrophysics Data System (ADS)

Wang, Z. H.; Zheng, Q.; Wang, Xiaoguang; Li, Yong

2016-03-01

We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given.

Imaging and Manipulating Energy Transfer Among Quantum Dots at Individual Dot Resolution.

PubMed

Nguyen, Duc; Nguyen, Huy A; Lyding, Joseph W; Gruebele, Martin

2017-06-27

Many processes of interest in quantum dots involve charge or energy transfer from one dot to another. Energy transfer in films of quantum dots as well as between linked quantum dots has been demonstrated by luminescence shift, and the ultrafast time-dependence of energy transfer processes has been resolved. Bandgap variation among dots (energy disorder) and dot separation are known to play an important role in how energy diffuses. Thus, it would be very useful if energy transfer could be visualized directly on a dot-by-dot basis among small clusters or within films of quantum dots. To that effect, we report single molecule optical absorption detected by scanning tunneling microscopy (SMA-STM) to image energy pooling from donor into acceptor dots on a dot-by-dot basis. We show that we can manipulate groups of quantum dots by pruning away the dominant acceptor dot, and switching the energy transfer path to a different acceptor dot. Our experimental data agrees well with a simple Monte Carlo lattice model of energy transfer, similar to models in the literature, in which excitation energy is transferred preferentially from dots with a larger bandgap to dots with a smaller bandgap.

Energy-gap spectroscopy of superconductors using a tunneling microscope

NASA Technical Reports Server (NTRS)

Le Duc, H. G.; Kaiser, W. J.; Stern, J. A.

1987-01-01

A unique scanning tunneling microscope (STM) system has been developed for spectroscopy of the superconducting energy gap. High-resolution control of tunnel current and voltage allows for measurement of superconducting properties at tunnel resistance levels 100-1000 greater than that achieved in prior work. The previously used STM methods for superconductor spectroscopy are compared to those developed for the work reported here. Superconducting energy-gap spectra are reported for three superconductors, Pb, PbBi, and NbN, over a range of tunnel resistance. The measured spectra are compared directly to theory.

Injection current dependences of electroluminescence transition energy in InGaN/GaN multiple quantum wells light emitting diodes under pulsed current conditions

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

Zhang, Feng; Ikeda, Masao, E-mail: mikeda2013@sinano.ac.cn; Liu, Jianping

2015-07-21

Injection current dependences of electroluminescence transition energy in blue InGaN/GaN multiple quantum wells light emitting diodes (LEDs) with different quantum barrier thicknesses under pulsed current conditions have been analyzed taking into account the related effects including deformation caused by lattice strain, quantum confined Stark effects due to polarization field partly screened by carriers, band gap renormalization, Stokes-like shift due to compositional fluctuations which are supposed to be random alloy fluctuations in the sub-nanometer scale, band filling effect (Burstein-Moss shift), and quantum levels in finite triangular wells. The bandgap renormalization and band filling effect occurring at high concentrations oppose one another,more » however, the renormalization effect dominates in the concentration range studied, since the band filling effect arising from the filling in the tail states in the valence band of quantum wells is much smaller than the case in the bulk materials. In order to correlate the carrier densities with current densities, the nonradiative recombination rates were deduced experimentally by curve-fitting to the external quantum efficiencies. The transition energies in LEDs both with 15 nm quantum barriers and 5 nm quantum barriers, calculated using full strengths of theoretical macroscopic polarization given by Barnardini and Fiorentini [Phys. Status Solidi B 216, 391 (1999)] are in excellent accordance with experimental results. The LED with 5 nm barriers has been shown to exhibit a higher transition energy and a smaller blue shift than those of LED with 15 nm barriers, which is mainly caused by the smaller internal polarization field in the quantum wells.« less

Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

PubMed

Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

2013-08-15

Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

Nonunitary quantum computation in the ground space of local Hamiltonians

NASA Astrophysics Data System (ADS)

Usher, Naïri; Hoban, Matty J.; Browne, Dan E.

2017-09-01

A central result in the study of quantum Hamiltonian complexity is that the k -local Hamiltonian problem is quantum-Merlin-Arthur-complete. In that problem, we must decide if the lowest eigenvalue of a Hamiltonian is bounded below some value, or above another, promised one of these is true. Given the ground state of the Hamiltonian, a quantum computer can determine this question, even if the ground state itself may not be efficiently quantum preparable. Kitaev's proof of QMA-completeness encodes a unitary quantum circuit in QMA into the ground space of a Hamiltonian. However, we now have quantum computing models based on measurement instead of unitary evolution; furthermore, we can use postselected measurement as an additional computational tool. In this work, we generalize Kitaev's construction to allow for nonunitary evolution including postselection. Furthermore, we consider a type of postselection under which the construction is consistent, which we call tame postselection. We consider the computational complexity consequences of this construction and then consider how the probability of an event upon which we are postselecting affects the gap between the ground-state energy and the energy of the first excited state of its corresponding Hamiltonian. We provide numerical evidence that the two are not immediately related by giving a family of circuits where the probability of an event upon which we postselect is exponentially small, but the gap in the energy levels of the Hamiltonian decreases as a polynomial.

Efficient free energy calculations of quantum systems through computer simulations

NASA Astrophysics Data System (ADS)

Antonelli, Alex; Ramirez, Rafael; Herrero, Carlos; Hernandez, Eduardo

2009-03-01

In general, the classical limit is assumed in computer simulation calculations of free energy. This approximation, however, is not justifiable for a class of systems in which quantum contributions for the free energy cannot be neglected. The inclusion of quantum effects is important for the determination of reliable phase diagrams of these systems. In this work, we present a new methodology to compute the free energy of many-body quantum systems [1]. This methodology results from the combination of the path integral formulation of statistical mechanics and efficient non-equilibrium methods to estimate free energy, namely, the adiabatic switching and reversible scaling methods. A quantum Einstein crystal is used as a model to show the accuracy and reliability the methodology. This new method is applied to the calculation of solid-liquid coexistence properties of neon. Our findings indicate that quantum contributions to properties such as, melting point, latent heat of fusion, entropy of fusion, and slope of melting line can be up to 10% of the calculated values using the classical approximation. [1] R. M. Ramirez, C. P. Herrero, A. Antonelli, and E. R. Hernández, Journal of Chemical Physics 129, 064110 (2008)

Measurement of a superconducting energy gap in a homogeneously amorphous insulator.

PubMed

Sherman, D; Kopnov, G; Shahar, D; Frydman, A

2012-04-27

We present tunneling spectroscopy measurements that directly reveal the existence of a superconducting gap in the insulating state of homogenously disordered amorphous indium oxide films. Two films on both sides of the disorder induced superconductor to insulator transition show the same energy gap scale. This energy gap persists up to relatively high magnetic fields and is observed across the magnetoresistance peak typical of disordered superconductors. The results provide useful information for understanding the nature of the insulating state in the disorder induced superconductor to insulator transition.

A novel theoretical model for the temperature dependence of band gap energy in semiconductors

NASA Astrophysics Data System (ADS)

Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

2017-10-01

We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

Semiconductor quantum dot scintillation under gamma-ray irradiation

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

Letant, S E; Wang, T

2006-08-23

We recently demonstrated the ability of semiconductor quantum dots to convert alpha radiation into visible photons. In this letter, we report on the scintillation of quantum dots under gamma-ray irradiation, and compare the energy resolution of the 59 keV line of Americium 241 obtained with our quantum dot-glass nanocomposite material to that of a standard sodium iodide scintillator. A factor 2 improvement is demonstrated experimentally and interpreted theoretically using a combination of energy-loss and photon transport models. These results demonstrate the potential of quantum dots for room-temperature gamma-ray detection, which has applications in medical imaging, environmental monitoring, as well asmore » security and defense. Present technology in gamma radiation detection suffers from flexibility and scalability issues. For example, bulk Germanium provides fine energy resolution (0.2% energy resolution at 1.33 MeV) but requires operation at liquid nitrogen temperature. On the other hand, Cadmium-Zinc-Telluride is a good room temperature detector ( 1% at 662 keV) but the size of the crystals that can be grown is limited to a few centimeters in each direction. Finally, the most commonly used scintillator, Sodium Iodide (NaI), can be grown as large crystals but suffers from a lack of energy resolution (7% energy resolution at 662 keV). Recent advancements in nanotechnology6-10 have provided the possibility of controlling materials synthesis at the molecular level. Both morphology and chemical composition can now be manipulated, leading to radically new material properties due to a combination of quantum confinement and surface to volume ratio effects. One of the main consequences of reducing the size of semiconductors down to nanometer dimensions is to increase the energy band gap, leading to visible luminescence, which suggests that these materials could be used as scintillators. The visible band gap of quantum dots would also ensure both efficient photon

Quantum effect on the energy levels of Eu2+ doped K2Ca2(SO4)3 nanoparticles.

PubMed

Salah, Numan; Habib, Sami S; Khan, Zishan H

2010-09-01

Quantum confinement effect on the energy levels of Eu(2+) doped K(2)Ca(2)(SO(4))(3) nanoparticles has been observed. The broad photoluminescence (PL) emission band of Eu(2+) doped K(2)Ca(2)(SO(4))(3) microcrystalline sample observed at ∼436 nm is found to split into two narrow well resolved bands, located at 422 and 445 nm in the nanostructure form of this material. This has been attributed to the reduction in the crystal field strength of the nanomaterials, which results in widening the energy band gap and splitting the broad 4f(6)5d energy level of Eu(2+). Energy band gap values of the micro and nanocrystalline K(2)Ca(2)(SO(4))(3) samples were also determined by measuring the UV-visible absorption spectra. These values are 3.34 and 3.44 eV for the micro and nanocrystalline samples, respectively. These remarkable results suggest that activators having wide emission bands might be subjected to weak crystal strength via nanostructure materials to modify their electronic transitions. This might prove a powerful technique for producing new-advanced materials for use in the fields of solid state lasers and optoelectronic devises.

The energy-level crossing behavior and quantum Fisher information in a quantum well with spin-orbit coupling

PubMed Central

Wang, Z. H.; Zheng, Q.; Wang, Xiaoguang; Li, Yong

2016-01-01

We study the energy-level crossing behavior in a two-dimensional quantum well with the Rashba and Dresselhaus spin-orbit couplings (SOCs). By mapping the SOC Hamiltonian onto an anisotropic Rabi model, we obtain the approximate ground state and its quantum Fisher information (QFI) via performing a unitary transformation. We find that the energy-level crossing can occur in the quantum well system within the available parameters rather than in cavity and circuit quantum eletrodynamics systems. Furthermore, the influence of two kinds of SOCs on the QFI is investigated and an intuitive explanation from the viewpoint of the stationary perturbation theory is given. PMID:26931762

Exciton shelves for charge and energy transport in third-generation quantum-dot devices

NASA Astrophysics Data System (ADS)

Goodman, Samuel; Singh, Vivek; Noh, Hyunwoo; Casamada, Josep; Chatterjee, Anushree; Cha, Jennifer; Nagpal, Prashant

2014-03-01

Quantum dots are semiconductor nanocrystallites with size-dependent quantum-confined energy levels. While they have been intensively investigated to utilize hot-carriers for photovoltaic applications, to bridge the mismatch between incident solar photons and finite bandgap of semiconductor photocells, efficient charge or exciton transport in quantum-dot films has proven challenging. Here we show development of new coupled conjugated molecular wires with ``exciton shelves'', or different energy levels, matched with the multiple energy levels of quantum dots. Using single nanoparticle and ensemble device measurements we show successful extraction and transport of both bandedge and high-energy charge carriers, and energy transport of excitons. We demonstrate using measurements of electronic density of states, that careful matching of energy states of quantum-dot with molecular wires is important, and any mismatch can generate midgap states leading to charge recombination and reduced efficiency. Therefore, these exciton-shelves and quantum dots can lead to development of next-generation photovoltaic and photodetection devices using simultaneous transport of bandedge and hot-carriers or energy transport of excitons in these nanostructured solution-processed films.

Specific features of the spectra and relaxation kinetics of long-wavelength photoconductivity in narrow-gap HgCdTe epitaxial films and heterostructures with quantum wells

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

Rumyantsev, V. V., E-mail: rumyantsev@ipmras.ru; Ikonnikov, A. V.; Antonov, A. V.

2013-11-15

The spectra and relaxation kinetics of interband photoconductivity are investigated in narrow-gap Hg{sub 1-x}Cd{sub x}Te epitaxial films with x = 0.19-0.23 and in structures with HgCdTe-based quantum wells (QWs), having an interband-transition energy in the range of 30-90 meV, grown by molecular-beam epitaxy on GaAs (013) substrates. A long-wavelength sensitivity band caused by impurities or defects is found in the spectra of the structures with quantum wells in addition to the interband photoconductivity. It is shown that the lifetimes of nonequilibrium carriers in the structures with QWs is less than in bulk samples at the same optical-transition energy. From themore » measured carrier lifetimes, the ampere-watt responsivity and the equivalent noise power for a film with x = 0.19 at a wavelength of 19 {mu}m are estimated. When investigating the relaxation kinetics of the photoconductivity at 4.2 K in high excitation regime, it is revealed that radiative recombination is dominant over other mechanisms of nonequilibrium-carrier recombination.« less

Characteristic Energy Scales of Quantum Systems.

ERIC Educational Resources Information Center

Morgan, Michael J.; Jakovidis, Greg

1994-01-01

Provides a particle-in-a-box model to help students understand and estimate the magnitude of the characteristic energy scales of a number of quantum systems. Also discusses the mathematics involved with general computations. (MVL)

Calculating Potential Energy Curves with Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2014-06-01

Quantum Monte Carlo (QMC) is a computational technique that can be applied to the electronic Schrödinger equation for molecules. QMC methods such as Variational Monte Carlo (VMC) and Diffusion Monte Carlo (DMC) have demonstrated the capability of capturing large fractions of the correlation energy, thus suggesting their possible use for high-accuracy quantum chemistry calculations. QMC methods scale particularly well with respect to parallelization making them an attractive consideration in anticipation of next-generation computing architectures which will involve massive parallelization with millions of cores. Due to the statistical nature of the approach, in contrast to standard quantum chemistry methods, uncertainties (error-bars) are associated with each calculated energy. This study focuses on the cost, feasibility and practical application of calculating potential energy curves for small molecules with QMC methods. Trial wave functions were constructed with the multi-configurational self-consistent field (MCSCF) method from GAMESS-US.[1] The CASINO Monte Carlo quantum chemistry package [2] was used for all of the DMC calculations. An overview of our progress in this direction will be given. References: M. W. Schmidt et al. J. Comput. Chem. 14, 1347 (1993). R. J. Needs et al. J. Phys.: Condensed Matter 22, 023201 (2010).

Quantum Yang-Mills Dark Energy

NASA Astrophysics Data System (ADS)

Pasechnik, Roman

2016-02-01

In this short review, I discuss basic qualitative characteristics of quantum non-Abelian gauge dynamics in the non-stationary background of the expanding Universe in the framework of the standard Einstein--Yang--Mills formulation. A brief outlook of existing studies of cosmological Yang--Mills fields and their properties will be given. Quantum effects have a profound impact on the gauge field-driven cosmological evolution. In particular, a dynamical formation of the spatially-homogeneous and isotropic gauge field condensate may be responsible for both early and late-time acceleration, as well as for dynamical compensation of non-perturbative quantum vacua contributions to the ground state of the Universe. The main properties of such a condensate in the effective QCD theory at the flat Friedmann--Lema\\'itre--Robertson--Walker (FLRW) background will be discussed within and beyond perturbation theory. Finally, a phenomenologically consistent dark energy can be induced dynamically as a remnant of the QCD vacua compensation arising from leading-order graviton-mediated corrections to the QCD ground state.

Direct observation of the Higgs amplitude mode in a two-dimensional quantum antiferromagnet near the quantum critical point

NASA Astrophysics Data System (ADS)

Hong, Tao; Matsumoto, M.; Qiu, Y.; Chen, W. C.; Gentile, T. R.; Watson, S.; Awwadi, F. F.; Turnbull, M. M.; Dissanayake, S. E.; Agrawal, H.; Toft-Petersen, R.; Klemke, B.; Coester, K.; Schmidt, K. P.; Tennant, D. A.

The emergence of low-energy excitations in the spontaneous symmetry-breaking quantum phase transitions can be characterized by fluctuations of phase and amplitude of the order parameter. The phase oscillations correspond to the massless Nambu-Goldstone (or transverse) modes whereas the massive amplitude (or longitudinal) mode, analogous to the Higgs boson in particle physics, is prone to decay into a pair of low-energy Nambu-Goldstone modes in low dimensions, which makes it experimentally difficult to detect Here, using inelastic neutron scattering and applying the bondoperator theory, we directly and unambiguously identify the Higgs amplitude mode in a two dimensional S = 1/2 quantum antiferromagnet C9H18N2CuBr4 near a quantum critical point in two dimensions. Owing to an anisotropic energy gap of the transverse spin excitation, it kinematically prevents such decay and the Higgs amplitude mode acquires an infinite life time.

Superconductivity versus quantum criticality: Effects of thermal fluctuations

NASA Astrophysics Data System (ADS)

Wang, Huajia; Wang, Yuxuan; Torroba, Gonzalo

2018-02-01

We study the interplay between superconductivity and non-Fermi liquid behavior of a Fermi surface coupled to a massless SU(N ) matrix boson near the quantum critical point. The presence of thermal infrared singularities in both the fermionic self-energy and the gap equation invalidates the Eliashberg approximation, and makes the quantum-critical pairing problem qualitatively different from that at zero temperature. Taking the large N limit, we solve the gap equation beyond the Eliashberg approximation, and obtain the superconducting temperature Tc as a function of N . Our results show an anomalous scaling between the zero-temperature gap and Tc. For N greater than a critical value, we find that Tc vanishes with a Berezinskii-Kosterlitz-Thouless scaling behavior, and the system retains non-Fermi liquid behavior down to zero temperature. This confirms and extends previous renormalization-group analyses done at T =0 , and provides a controlled example of a naked quantum critical point. We discuss the crucial role of thermal fluctuations in relating our results with earlier work where superconductivity always develops due to the special role of the first Matsubara frequency.

Synthesis and Properties of Water-Soluble Blue-Emitting Mn-Alloyed CdTe Quantum Dots.

PubMed

Tynkevych, Olena; Karavan, Volodymyr; Vorona, Igor; Filonenko, Svitlana; Khalavka, Yuriy

2018-05-02

In this work, we prepared CdTe quantum dots, and series of Cd 1-x Mn x Te-alloyed quantum dots with narrow size distribution by an ion-exchange reaction in water solution. We found that the photoluminescence peaks are shifted to higher energies with the increasing Mn 2+ content. So far, this is the first report of blue-emitting CdTe-based quantum dots. By means of cyclic voltammetry, we detected features of electrochemical activity of manganese energy levels formed inside the Cd 1-x Mn x Te-alloyed quantum dot band gap. This allowed us to estimate their energy position. We also demonstrate paramagnetic behavior for Cd 1-x Mn x Te-alloyed quantum dots which confirmed the successful ion-exchange reaction.

Synthesis and Properties of Water-Soluble Blue-Emitting Mn-Alloyed CdTe Quantum Dots

NASA Astrophysics Data System (ADS)

Tynkevych, Olena; Karavan, Volodymyr; Vorona, Igor; Filonenko, Svitlana; Khalavka, Yuriy

2018-05-01

In this work, we prepared CdTe quantum dots, and series of Cd1-xMnxTe-alloyed quantum dots with narrow size distribution by an ion-exchange reaction in water solution. We found that the photoluminescence peaks are shifted to higher energies with the increasing Mn2+ content. So far, this is the first report of blue-emitting CdTe-based quantum dots. By means of cyclic voltammetry, we detected features of electrochemical activity of manganese energy levels formed inside the Cd1-xMnxTe-alloyed quantum dot band gap. This allowed us to estimate their energy position. We also demonstrate paramagnetic behavior for Cd1-xMnxTe-alloyed quantum dots which confirmed the successful ion-exchange reaction.

Synthesis of Bi2S3 quantum dots for sensitized solar cells by reverse SILAR

NASA Astrophysics Data System (ADS)

Singh, Navjot; Sharma, J.; Tripathi, S. K.

2016-05-01

Quantum Dot Sensitized Solar cells (QDSSC) have great potential to replace silicon-based solar cells. Quantum dots of various materials and sizes could be used to convert most of the visible light into the electrical current. This paper put emphasis on the synthesis of Bismuth Sulphide quantum dots and selectivity of the anionic precursor by Successive Ionic Layer Adsorption Reaction (SILAR). Bismuth Sulfide (Bi2S3) (group V - Vi semiconductor) is strong contestant for cadmium free solar cells due to its optimum band gap for light harvesting. Optical, structural and electrical measurements are reported and discussed. Problem regarding the choice of precursor for anion extraction is discussed. Band gap of the synthesized quantum dots is 1.2 eV which does not match with the required energy band gap of bismuth sulfide that is 1.7eV.

Optical band gaps of organic semiconductor materials

NASA Astrophysics Data System (ADS)

Costa, José C. S.; Taveira, Ricardo J. S.; Lima, Carlos F. R. A. C.; Mendes, Adélio; Santos, Luís M. N. B. F.

2016-08-01

UV-Vis can be used as an easy and forthright technique to accurately estimate the band gap energy of organic π-conjugated materials, widely used as thin films/composites in organic and hybrid electronic devices such as OLEDs, OPVs and OFETs. The electronic and optical properties, including HOMO-LUMO energy gaps of π-conjugated systems were evaluated by UV-Vis spectroscopy in CHCl3 solution for a large number of relevant π-conjugated systems: tris-8-hydroxyquinolinatos (Alq3, Gaq3, Inq3, Al(qNO2)3, Al(qCl)3, Al(qBr)3, In(qNO2)3, In(qCl)3 and In(qBr)3); triphenylamine derivatives (DDP, p-TTP, TPB, TPD, TDAB, m-MTDAB, NPB, α-NPD); oligoacenes (naphthalene, anthracene, tetracene and rubrene); oligothiophenes (α-2T, β-2T, α-3T, β-3T, α-4T and α-5T). Additionally, some electronic properties were also explored by quantum chemical calculations. The experimental UV-Vis data are in accordance with the DFT predictions and indicate that the band gap energies of the OSCs dissolved in CHCl3 solution are consistent with the values presented for thin films.

Electronic energy transfer: Localized operator partitioning of electronic energy in composite quantum systems

NASA Astrophysics Data System (ADS)

Khan, Yaser; Brumer, Paul

2012-11-01

A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of electronic energy transfer in arbitrarily coupled quantum systems. In particular, the decomposition scheme can be applied to molecular components that are strongly interacting (with significant orbital overlap) as well as to isolated fragments. The result defines a consistent electronic energy at all internuclear distances, including the case of separated fragments, and reduces to the well-known Förster and Dexter results in their respective limits. Numerical calculations of coherent energy and charge transfer dynamics in simple model systems are presented and the effect of collisionally induced decoherence is examined.

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

DOE PAGES

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya; ...

2016-08-09

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

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

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Exponential Speedup of Quantum Annealing by Inhomogeneous Driving of the Transverse Field

NASA Astrophysics Data System (ADS)

Susa, Yuki; Yamashiro, Yu; Yamamoto, Masayuki; Nishimori, Hidetoshi

2018-02-01

We show, for quantum annealing, that a certain type of inhomogeneous driving of the transverse field erases first-order quantum phase transitions in the p-body interacting mean-field-type model with and without longitudinal random field. Since a first-order phase transition poses a serious difficulty for quantum annealing (adiabatic quantum computing) due to the exponentially small energy gap, the removal of first-order transitions means an exponential speedup of the annealing process. The present method may serve as a simple protocol for the performance enhancement of quantum annealing, complementary to non-stoquastic Hamiltonians.

Ultra-broadband photodetectors based on epitaxial graphene quantum dots

NASA Astrophysics Data System (ADS)

El Fatimy, Abdel; Nath, Anindya; Kong, Byoung Don; Boyd, Anthony K.; Myers-Ward, Rachael L.; Daniels, Kevin M.; Jadidi, M. Mehdi; Murphy, Thomas E.; Gaskill, D. Kurt; Barbara, Paola

2018-03-01

Graphene is an ideal material for hot-electron bolometers due to its low heat capacity and weak electron-phonon coupling. Nanostructuring graphene with quantum-dot constrictions yields detectors of electromagnetic radiation with extraordinarily high intrinsic responsivity, higher than 1×109 V W-1 at 3 K. The sensing mechanism is bolometric in nature: the quantum confinement gap causes a strong dependence of the electrical resistance on the electron temperature. Here, we show that this quantum confinement gap does not impose a limitation on the photon energy for light detection and these quantum-dot bolometers work in a very broad spectral range, from terahertz through telecom to ultraviolet radiation, with responsivity independent of wavelength. We also measure the power dependence of the response. Although the responsivity decreases with increasing power, it stays higher than 1×108 V W-1 in a wide range of absorbed power, from 1 pW to 0.4 nW.

Quantum hall ferromagnets

NASA Astrophysics Data System (ADS)

Kumar, Akshay

We study several quantum phases that are related to the quantum Hall effect. Our initial focus is on a pair of quantum Hall ferromagnets where the quantum Hall ordering occurs simultaneously with a spontaneous breaking of an internal symmetry associated with a semiconductor valley index. In our first example ---AlAs heterostructures--- we study domain wall structure, role of random-field disorder and dipole moment physics. Then in the second example ---Si(111)--- we show that symmetry breaking near several integer filling fractions involves a combination of selection by thermal fluctuations known as "order by disorder" and a selection by the energetics of Skyrme lattices induced by moving away from the commensurate fillings, a mechanism we term "order by doping". We also study ground state of such systems near filling factor one in the absence of valley Zeeman energy. We show that even though the lowest energy charged excitations are charge one skyrmions, the lowest energy skyrmion lattice has charge > 1 per unit cell. We then broaden our discussion to include lattice systems having multiple Chern number bands. We find analogs of quantum Hall ferromagnets in the menagerie of fractional Chern insulator phases. Unlike in the AlAs system, here the domain walls come naturally with gapped electronic excitations. We close with a result involving only topology: we show that ABC stacked multilayer graphene placed on boron nitride substrate has flat bands with non-zero local Berry curvature but zero Chern number. This allows access to an interaction dominated system with a non-trivial quantum distance metric but without the extra complication of a non-zero Chern number.

Energy splitting of excitons in gapped Dirac materials

NASA Astrophysics Data System (ADS)

Xiao, Di; Zhou, Jianhui; Shan, Wenyu; Yao, Wang; Okamoto, Satoshi

2015-03-01

We show that there is an energy splitting between excitons with opposite angular momentum in gapped Dirac materials, such as monolayers of transition metal dichalcogenides and gapped surface states of topological insulators. This splitting can be traced back to the chiral nature of Dirac electrons. We also discuss the optical selection rule of excitons in gap Dirac materials and clarify the relationship to its single-particle counterpart. A simple estimation of the splitting (~ 10 meV) in monolayer transition metal dichalcogenides is given . Our result reveals the limitation of the venerable hydrogenic model of excitons, and highlights the importance of the Berry phase in This work is supported by DOE (No. DE-SC0012509), and AFOSR (No. FA9550-14-1-0277).

Quantum Dots and Their Multimodal Applications: A Review

PubMed Central

Bera, Debasis; Qian, Lei; Tseng, Teng-Kuan; Holloway, Paul H.

2010-01-01

Semiconducting quantum dots, whose particle sizes are in the nanometer range, have very unusual properties. The quantum dots have band gaps that depend in a complicated fashion upon a number of factors, described in the article. Processing-structure-properties-performance relationships are reviewed for compound semiconducting quantum dots. Various methods for synthesizing these quantum dots are discussed, as well as their resulting properties. Quantum states and confinement of their excitons may shift their optical absorption and emission energies. Such effects are important for tuning their luminescence stimulated by photons (photoluminescence) or electric field (electroluminescence). In this article, decoupling of quantum effects on excitation and emission are described, along with the use of quantum dots as sensitizers in phosphors. In addition, we reviewed the multimodal applications of quantum dots, including in electroluminescence device, solar cell and biological imaging.

Quantum-Sequencing: Biophysics of quantum tunneling through nucleic acids

NASA Astrophysics Data System (ADS)

Casamada Ribot, Josep; Chatterjee, Anushree; Nagpal, Prashant

2014-03-01

Tunneling microscopy and spectroscopy has extensively been used in physical surface sciences to study quantum tunneling to measure electronic local density of states of nanomaterials and to characterize adsorbed species. Quantum-Sequencing (Q-Seq) is a new method based on tunneling microscopy for electronic sequencing of single molecule of nucleic acids. A major goal of third-generation sequencing technologies is to develop a fast, reliable, enzyme-free single-molecule sequencing method. Here, we present the unique ``electronic fingerprints'' for all nucleotides on DNA and RNA using Q-Seq along their intrinsic biophysical parameters. We have analyzed tunneling spectra for the nucleotides at different pH conditions and analyzed the HOMO, LUMO and energy gap for all of them. In addition we show a number of biophysical parameters to further characterize all nucleobases (electron and hole transition voltage and energy barriers). These results highlight the robustness of Q-Seq as a technique for next-generation sequencing.

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2003-01-01

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

A Low-Energy-Gap Thienochrysenocarbazole Dye for Highly Efficient Mesoscopic Titania Solar Cells: Understanding the Excited State and Charge Carrier Dynamics.

PubMed

Wang, Junting; Xie, Xinrui; Weng, Guorong; Yuan, Yi; Zhang, Jing; Wang, Peng

2018-05-09

Maintaining both a high external quantum efficiency and a large open-circuit photovoltage of dye-sensitized solar cells (DSSCs) is a crucial challenge in the process of developing narrow-energy-gap dyes for the capture of infrared solar photons. Herein, we report two donor-acceptor organic dyes, C294 and C295, with a polycyclic heteroaromatic unit, 6,11-dihydrothieno[3',2':8,9]chryseno[10,11,12,1-bcdefg]carbazole (TCC), as the central module of the electron donor, and ethylbenzothiadiazole-benzioc acid as the electron acceptor. The interfacial charge recombination was successfully mitigated by introducing an additional branched aliphatic chain in C295. Furthermore, the O⋅⋅⋅S nonbonding interaction between the oxygen atom of the alkoxy group and the sulfur atom of the thiophene in C295 controlled the conformation of C295, resulting in a narrow energy-gap. Time-resolved spectroscopic measurements on C294 and the model dye C272 indicated that the elevation of the HOMO energy level decreased the kinetics and yield of hole injection owing to a reduction in the driving force and that the shortened excited-state lifetime caused by the narrowing of the energy gap was unfavorable for electron injection. By fine tuning the composition of the electrolyte, C294 and C295 eventually achieved high power conversion efficiencies of 11.5 % and 12.4 %, respectively, under full sunlight of air mass 1.5 global conditions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Minding the Gap: Synthetic Strategies for Tuning the Energy Gap in Conjugated Molecules

ERIC Educational Resources Information Center

Christensen, Dana; Cohn, Pamela G.

2016-01-01

While structure-property relationships are commonly developed in applications of physical organic chemistry to real-world problems at the graduate level, they have not been generally emphasized in the undergraduate chemistry curriculum. For instance, the ability to modify the energy gap between the highest occupied molecular orbital (HOMO) and the…

Towards fault tolerant adiabatic quantum computation.

PubMed

Lidar, Daniel A

2008-04-25

I show how to protect adiabatic quantum computation (AQC) against decoherence and certain control errors, using a hybrid methodology involving dynamical decoupling, subsystem and stabilizer codes, and energy gaps. Corresponding error bounds are derived. As an example, I show how to perform decoherence-protected AQC against local noise using at most two-body interactions.

The energy cost of quantum information losses

NASA Astrophysics Data System (ADS)

Romanelli, Alejandro; de Lima Marquezino, Franklin; Portugal, Renato; Donangelo, Raul

2018-05-01

We explore the energy cost of the information loss resulting from the passage of an initial density operator to a reduced one. We use the concept of entanglement temperature in order to obtain a lower bound for the energy change associated with this operation. We determine the minimal energy required for the case of the information losses associated with the trace over the space coordinates of a two-dimensional quantum walk.

Interplay of Hofstadter and quantum Hall states in bilayer graphene

NASA Astrophysics Data System (ADS)

Spanton, Eric M.; Zibrov, Alexander A.; Zhou, Haoxin; Taniguchi, Takashi; Watanabe, Kenji; Young, Andrea

Electron interactions in ultraclean systems such as graphene lead to the fractional quantum Hall effect in an applied magnetic field. Long wavelength periodic potentials from a moiré pattern in aligned boron nitride-graphene heterostructures may compete with such interactions and favor spatially ordered states (e.g. Wigner crystals orcharge density waves). To investigate this competition, we studied the bulk phase diagram of asymmetrically moiré-coupled bilayer graphene via multi-terminal magnetocapacitance measurements at ultra-high magnetic fields. Two quantum numbers characterize energy gaps in this regime: t, which indexes the Bloch bands, and s, which indexes the Landau level. Similar to past experiments, we observe the conventional integer and fractional quantum Hall gaps (t = 0), integer Hofstadter gaps (integer s and integer t ≠ 0), and fractional Bloch states associated with an expanded superlattice unit cell (fractional s and integer t). Additionally, we find states with fractional values for both s and t. Measurement of the capacitance matrix shows that these states occur on the layer exposed to the strong periodic potential. We discuss the results in terms of possible fractional quantum hall states unique to periodically modulated systems.

Atomic electron energies including relativistic effects and quantum electrodynamic corrections

NASA Technical Reports Server (NTRS)

Aoyagi, M.; Chen, M. H.; Crasemann, B.; Huang, K. N.; Mark, H.

1977-01-01

Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

GaAs/GaP quantum dots: Ensemble of direct and indirect heterostructures with room temperature optical emission

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

Dadgostar, S.; Mogilatenko, A.; Masselink, W. T.

2016-03-07

We describe the optical emission and the carrier dynamics of an ensemble of self-assembled GaAs quantum dots embedded in GaP(001). The QD formation is driven by the 3.6% lattice mismatch between GaAs and GaP in the Stranski-Krastanow mode after deposition of more than 1.2 monolayers of GaAs. The quantum dots have an areal density between 6 and 7.6 × 10{sup 10} per cm{sup −2} and multimodal size distribution. The luminescence spectra show two peaks in the range of 1.7 and 2.1 eV. The samples with larger quantum dots have red emission and show less thermal quenching compared with the samples with smaller QDs.more » The large QDs luminescence up to room temperature. We attribute the high energy emission to indirect carrier recombination in the thin quantum wells or small strained quantum dots, whereas the low energy red emission is due to the direct electron-hole recombination in the relaxed quantum dots.« less

Optical Gaps in Pristine and Heavily Doped Silicon Nanocrystals: DFT versus Quantum Monte Carlo Benchmarks.

PubMed

Derian, R; Tokár, K; Somogyi, B; Gali, Á; Štich, I

2017-12-12

We present a time-dependent density functional theory (TDDFT) study of the optical gaps of light-emitting nanomaterials, namely, pristine and heavily B- and P-codoped silicon crystalline nanoparticles. Twenty DFT exchange-correlation functionals sampled from the best currently available inventory such as hybrids and range-separated hybrids are benchmarked against ultra-accurate quantum Monte Carlo results on small model Si nanocrystals. Overall, the range-separated hybrids are found to perform best. The quality of the DFT gaps is correlated with the deviation from Koopmans' theorem as a possible quality guide. In addition to providing a generic test of the ability of TDDFT to describe optical properties of silicon crystalline nanoparticles, the results also open up a route to benchmark-quality DFT studies of nanoparticle sizes approaching those studied experimentally.

Communication: Fragment-based Hamiltonian model of electronic charge-excitation gaps and gap closure

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

Valone, Steven Michael; Pilania, Ghanshyam; Liu, Xiang-Yang

Capturing key electronic properties such as charge excitation gaps within models at or above the atomic scale presents an ongoing challenge to understanding molecular, nanoscale, and condensed phase systems. One strategy is to describe the system in terms of properties of interacting material fragments, but it is unclear how to accomplish this for charge-excitation and charge-transfer phenomena. Hamiltonian models such as the Hubbard model provide formal frameworks for analyzing gap properties but are couched purely in terms of states of electrons, rather than the states of the fragments at the scale of interest. The recently introduced Fragment Hamiltonian (FH) modelmore » uses fragments in different charge states as its building blocks, enabling a uniform, quantum-mechanical treatment that captures the charge-excitation gap. These gaps are preserved in terms of inter-fragment charge-transferhopping integrals T and on-fragment parameters U (FH). The FH model generalizes the standard Hubbard model (a single intra-band hopping integral t and on-site repulsion U) from quantum states for electrons to quantum states for fragments. In this paper, we demonstrate that even for simple two-fragment and multi-fragment systems, gap closure is enabled once T exceeds the threshold set by U (FH), thus providing new insight into the nature of metal-insulator transitions. Finally, this result is in contrast to the standard Hubbard model for 1d rings, for which Lieb and Wu proved that gap closure was impossible, regardless of the choices for t and U.« less

Communication: Fragment-based Hamiltonian model of electronic charge-excitation gaps and gap closure

DOE PAGES

Valone, Steven Michael; Pilania, Ghanshyam; Liu, Xiang-Yang; ...

2015-11-13

Capturing key electronic properties such as charge excitation gaps within models at or above the atomic scale presents an ongoing challenge to understanding molecular, nanoscale, and condensed phase systems. One strategy is to describe the system in terms of properties of interacting material fragments, but it is unclear how to accomplish this for charge-excitation and charge-transfer phenomena. Hamiltonian models such as the Hubbard model provide formal frameworks for analyzing gap properties but are couched purely in terms of states of electrons, rather than the states of the fragments at the scale of interest. The recently introduced Fragment Hamiltonian (FH) modelmore » uses fragments in different charge states as its building blocks, enabling a uniform, quantum-mechanical treatment that captures the charge-excitation gap. These gaps are preserved in terms of inter-fragment charge-transferhopping integrals T and on-fragment parameters U (FH). The FH model generalizes the standard Hubbard model (a single intra-band hopping integral t and on-site repulsion U) from quantum states for electrons to quantum states for fragments. In this paper, we demonstrate that even for simple two-fragment and multi-fragment systems, gap closure is enabled once T exceeds the threshold set by U (FH), thus providing new insight into the nature of metal-insulator transitions. Finally, this result is in contrast to the standard Hubbard model for 1d rings, for which Lieb and Wu proved that gap closure was impossible, regardless of the choices for t and U.« less

Communication: Fragment-based Hamiltonian model of electronic charge-excitation gaps and gap closure

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

Valone, S. M.; Pilania, G.; Liu, X. Y.

2015-11-14

Capturing key electronic properties such as charge excitation gaps within models at or above the atomic scale presents an ongoing challenge to understanding molecular, nanoscale, and condensed phase systems. One strategy is to describe the system in terms of properties of interacting material fragments, but it is unclear how to accomplish this for charge-excitation and charge-transfer phenomena. Hamiltonian models such as the Hubbard model provide formal frameworks for analyzing gap properties but are couched purely in terms of states of electrons, rather than the states of the fragments at the scale of interest. The recently introduced Fragment Hamiltonian (FH) modelmore » uses fragments in different charge states as its building blocks, enabling a uniform, quantum-mechanical treatment that captures the charge-excitation gap. These gaps are preserved in terms of inter-fragment charge-transfer hopping integrals T and on-fragment parameters U{sup (FH)}. The FH model generalizes the standard Hubbard model (a single intra-band hopping integral t and on-site repulsion U) from quantum states for electrons to quantum states for fragments. We demonstrate that even for simple two-fragment and multi-fragment systems, gap closure is enabled once T exceeds the threshold set by U{sup (FH)}, thus providing new insight into the nature of metal-insulator transitions. This result is in contrast to the standard Hubbard model for 1d rings, for which Lieb and Wu proved that gap closure was impossible, regardless of the choices for t and U.« less

Quantum chemical approach to estimating the thermodynamics of metabolic reactions.

PubMed

Jinich, Adrian; Rappoport, Dmitrij; Dunn, Ian; Sanchez-Lengeling, Benjamin; Olivares-Amaya, Roberto; Noor, Elad; Even, Arren Bar; Aspuru-Guzik, Alán

2014-11-12

Thermodynamics plays an increasingly important role in modeling and engineering metabolism. We present the first nonempirical computational method for estimating standard Gibbs reaction energies of metabolic reactions based on quantum chemistry, which can help fill in the gaps in the existing thermodynamic data. When applied to a test set of reactions from core metabolism, the quantum chemical approach is comparable in accuracy to group contribution methods for isomerization and group transfer reactions and for reactions not including multiply charged anions. The errors in standard Gibbs reaction energy estimates are correlated with the charges of the participating molecules. The quantum chemical approach is amenable to systematic improvements and holds potential for providing thermodynamic data for all of metabolism.

Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions

PubMed Central

Jinich, Adrian; Rappoport, Dmitrij; Dunn, Ian; Sanchez-Lengeling, Benjamin; Olivares-Amaya, Roberto; Noor, Elad; Even, Arren Bar; Aspuru-Guzik, Alán

2014-01-01

Thermodynamics plays an increasingly important role in modeling and engineering metabolism. We present the first nonempirical computational method for estimating standard Gibbs reaction energies of metabolic reactions based on quantum chemistry, which can help fill in the gaps in the existing thermodynamic data. When applied to a test set of reactions from core metabolism, the quantum chemical approach is comparable in accuracy to group contribution methods for isomerization and group transfer reactions and for reactions not including multiply charged anions. The errors in standard Gibbs reaction energy estimates are correlated with the charges of the participating molecules. The quantum chemical approach is amenable to systematic improvements and holds potential for providing thermodynamic data for all of metabolism. PMID:25387603

Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron

NASA Astrophysics Data System (ADS)

Turi, László; Hantal, György; Rossky, Peter J.; Borgis, Daniel

2009-07-01

A general formalism for introducing nuclear quantum effects in the expression of the quantum time correlation function of an operator in a multilevel electronic system is presented in the adiabatic limit. The final formula includes the nuclear quantum time correlation functions of the operator matrix elements, of the energy gap, and their cross terms. These quantities can be inferred and evaluated from their classical analogs obtained by mixed quantum-classical molecular dynamics simulations. The formalism is applied to the absorption spectrum of a hydrated electron, expressed in terms of the time correlation function of the dipole operator in the ground electronic state. We find that both static and dynamic nuclear quantum effects distinctly influence the shape of the absorption spectrum, especially its high energy tail related to transitions to delocalized electron states. Their inclusion does improve significantly the agreement between theory and experiment for both the low and high frequency edges of the spectrum. It does not appear sufficient, however, to resolve persistent deviations in the slow Lorentzian-like decay part of the spectrum in the intermediate 2-3 eV region.

Quantum spin Hall insulator BiXH (XH = OH, SH) monolayers with a large bulk band gap.

PubMed

Hu, Xing-Kai; Lyu, Ji-Kai; Zhang, Chang-Wen; Wang, Pei-Ji; Ji, Wei-Xiao; Li, Ping

2018-05-16

A large bulk band gap is critical for the application of two-dimensional topological insulators (TIs) in spintronic devices operating at room temperature. On the basis of first-principles calculations, we predict BiXH (X = OH, SH) monolayers as TIs with an extraordinarily large bulk gap of 820 meV for BiOH and 850 meV for BiSH, and propose a tight-binding model considering spin-orbit coupling to describe the electronic properties of BiXH. These large gaps are entirely due to the strong spin-orbit interaction related to the pxy orbitals of the Bi atoms of the honeycomb lattice. The orbital filtering mechanism can be used to understand the topological properties of BiXH. The XH groups simply remove one branch of orbitals (pz of Bi) and reduce the trivial 6-band lattice into a 4-band, which is topologically non-trivial. The topological characteristics of BiXH monolayers are confirmed by nonzero topological invariant Z2 and a single pair of gapless helical edge states in the bulk gap. Owing to these features, the BiXH monolayers of the large-gap TIs are an ideal platform to realize many exotic phenomena and fabricate new quantum devices working at room temperature.

Quasiparticle and excitonic gaps of one-dimensional carbon chains.

PubMed

Mostaani, E; Monserrat, B; Drummond, N D; Lambert, C J

2016-06-01

We report diffusion quantum Monte Carlo (DMC) calculations of the quasiparticle and excitonic gaps of hydrogen-terminated oligoynes and extended polyyne. The electronic gaps are found to be very sensitive to the atomic structure in these systems. We have therefore optimised the geometry of polyyne by directly minimising the DMC energy with respect to the lattice constant and the Peierls-induced carbon-carbon bond-length alternation. We find the bond-length alternation of polyyne to be 0.136(2) Å and the excitonic and quasiparticle gaps to be 3.30(7) and 3.4(1) eV, respectively. The DMC zone-centre longitudinal optical phonon frequency of polyyne is 2084(5) cm(-1), which is consistent with Raman spectroscopic measurements for large oligoynes.

Stochastic dark energy from inflationary quantum fluctuations

NASA Astrophysics Data System (ADS)

Glavan, Dražen; Prokopec, Tomislav; Starobinsky, Alexei A.

2018-05-01

We study the quantum backreaction from inflationary fluctuations of a very light, non-minimally coupled spectator scalar and show that it is a viable candidate for dark energy. The problem is solved by suitably adapting the formalism of stochastic inflation. This allows us to self-consistently account for the backreaction on the background expansion rate of the Universe where its effects are large. This framework is equivalent to that of semiclassical gravity in which matter vacuum fluctuations are included at the one loop level, but purely quantum gravitational fluctuations are neglected. Our results show that dark energy in our model can be characterized by a distinct effective equation of state parameter (as a function of redshift) which allows for testing of the model at the level of the background.

Simple Experimental Verification of the Relation between the Band-Gap Energy and the Energy of Photons Emitted by LEDs

ERIC Educational Resources Information Center

Precker, Jurgen W.

2007-01-01

The wavelength of the light emitted by a light-emitting diode (LED) is intimately related to the band-gap energy of the semiconductor from which the LED is made. We experimentally estimate the band-gap energies of several types of LEDs, and compare them with the energies of the emitted light, which ranges from infrared to white. In spite of…

Gaps in the spectrum of a periodic quantum graph with periodically distributed \\delta ^{\\prime} -type interactions

NASA Astrophysics Data System (ADS)

Barseghyan, Diana; Khrabustovskyi, Andrii

2015-06-01

We consider a family of quantum graphs {{\\{(Γ ,{{A}\\varepsilon })\\}}\\varepsilon \\gt 0}, where Γ is a {{{Z}}n}-periodic metric graph and the periodic Hamiltonian {{A}\\varepsilon } is defined by the operation -{{\\varepsilon }-1}\\frac{{{d}2}}{d{{x}2}} on the edges of Γ and either δ \\prime -type conditions or the Kirchhoff conditions at its vertices. Here \\varepsilon \\gt 0 is a small parameter. We show that the spectrum of {{A}\\varepsilon } has at least m gaps as \\varepsilon \\to 0 (m\\in {N} is a predefined number), moreover the location of these gaps can be nicely controlled via a suitable choice of the geometry of Γ and of coupling constants involved in δ \\prime -type conditions.

Resonant electronic excitation energy transfer by Dexter mechanism in the quantum dot system

NASA Astrophysics Data System (ADS)

Samosvat, D. M.; Chikalova-Luzina, O. P.; Vyatkin, V. M.; Zegrya, G. G.

2016-11-01

In present work the energy transfer between quantum dots by the exchange (Dexter) mechanism is analysed. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same compound A3B5 and embedded in the matrix of other material creating potential barriers for electron and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found using the Kane model that provides the most adequate description spectra of semiconductors A3B5. Numerical calculations show that the rate of the energy transfer by Dexter mechanism is comparable to the rate of the energy transfer by electrostatic mechanism at the distances approaching to the contact ones.

Quantum nuclear pasta and nuclear symmetry energy

NASA Astrophysics Data System (ADS)

Fattoyev, F. J.; Horowitz, C. J.; Schuetrumpf, B.

2017-05-01

Complex and exotic nuclear geometries, collectively referred to as "nuclear pasta," are expected to appear naturally in dense nuclear matter found in the crusts of neutron stars and supernovae environments. The pasta geometries depend on the average baryon density, proton fraction, and temperature and are critically important in the determination of many transport properties of matter in supernovae and the crusts of neutron stars. Using a set of self-consistent microscopic nuclear energy density functionals, we present the first results of large scale quantum simulations of pasta phases at baryon densities 0.03 ≤ρ ≤0.10 fm-3 , proton fractions 0.05 ≤Yp≤0.40 , and zero temperature. The full quantum simulations, in particular, allow us to thoroughly investigate the role and impact of the nuclear symmetry energy on pasta configurations. We use the Sky3D code that solves the Skyrme Hartree-Fock equations on a three-dimensional Cartesian grid. For the nuclear interaction we use the state-of-the-art UNEDF1 parametrization, which was introduced to study largely deformed nuclei, hence is suitable for studies of the nuclear pasta. Density dependence of the nuclear symmetry energy is simulated by tuning two purely isovector observables that are insensitive to the current available experimental data. We find that a minimum total number of nucleons A =2000 is necessary to prevent the results from containing spurious shell effects and to minimize finite size effects. We find that a variety of nuclear pasta geometries are present in the neutron star crust, and the result strongly depends on the nuclear symmetry energy. The impact of the nuclear symmetry energy is less pronounced as the proton fractions increase. Quantum nuclear pasta calculations at T =0 MeV are shown to get easily trapped in metastable states, and possible remedies to avoid metastable solutions are discussed.

Experimental signatures of the inverted phase in InAs/GaSb coupled quantum wells

NASA Astrophysics Data System (ADS)

Karalic, Matija; Mueller, Susanne; Mittag, Christopher; Pakrouski, Kiryl; Wu, QuanSheng; Soluyanov, Alexey A.; Troyer, Matthias; Tschirky, Thomas; Wegscheider, Werner; Ensslin, Klaus; Ihn, Thomas

2016-12-01

Transport measurements are performed on InAs/GaSb double quantum wells at zero and finite magnetic fields applied parallel and perpendicular to the quantum wells. We investigate a sample in the inverted regime where electrons and holes coexist, and compare it with another sample in the noninverted semiconducting regime. The activated behavior in conjunction with a strong suppression of the resistance peak at the charge neutrality point in a parallel magnetic field attest to the topological hybridization gap between electron and hole bands in the inverted sample. We observe an unconventional Landau level spectrum with energy gaps modulated by the magnetic field applied perpendicular to the quantum wells. This is caused by a strong spin-orbit interaction provided jointly by the InAs and the GaSb quantum wells.

Energy Band Gap Dependence of Valley Polarization of the Hexagonal Lattice

NASA Astrophysics Data System (ADS)

Ghalamkari, Kazu; Tatsumi, Yuki; Saito, Riichiro

2018-02-01

The origin of valley polarization of the hexagonal lattice is analytically discussed by tight binding method as a function of energy band gap. When the energy gap decreases to zero, the intensity of optical absorption becomes sharp as a function of k near the K (or K') point in the hexagonal Brillouin zone, while the peak intensity at the K (or K') point keeps constant with decreasing the energy gap. When the dipole vector as a function of k can have both real and imaginary parts that are perpendicular to each other in the k space, the valley polarization occurs. When the dipole vector has only real values by selecting a proper phase of wave functions, the valley polarization does not occur. The degree of the valley polarization may show a discrete change that can be relaxed to a continuous change of the degree of valley polarization when we consider the life time of photo-excited carrier.

Time-resolved energy transduction in a quantum capacitor

PubMed Central

Jung, Woojin; Cho, Doohee; Kim, Min-Kook; Choi, Hyoung Joon; Lyo, In-Whan

2011-01-01

The capability to deposit charge and energy quantum-by-quantum into a specific atomic site could lead to many previously unidentified applications. Here we report on the quantum capacitor formed by a strongly localized field possessing such capability. We investigated the charging dynamics of such a capacitor by using the unique scanning tunneling microscopy that combines nanosecond temporal and subangstrom spatial resolutions, and by using Si(001) as the electrode as well as the detector for excitations produced by the charging transitions. We show that sudden switching of a localized field induces a transiently empty quantum dot at the surface and that the dot acts as a tunable excitation source with subangstrom site selectivity. The timescale in the deexcitation of the dot suggests the formation of long-lived, excited states. Our study illustrates that a quantum capacitor has serious implications not only for the bottom-up nanotechnology but also for future switching devices. PMID:21817067

Error suppression and correction for quantum annealing

NASA Astrophysics Data System (ADS)

Lidar, Daniel

While adiabatic quantum computing and quantum annealing enjoy a certain degree of inherent robustness against excitations and control errors, there is no escaping the need for error correction or suppression. In this talk I will give an overview of our work on the development of such error correction and suppression methods. We have experimentally tested one such method combining encoding, energy penalties and decoding, on a D-Wave Two processor, with encouraging results. Mean field theory shows that this can be explained in terms of a softening of the closing of the gap due to the energy penalty, resulting in protection against excitations that occur near the quantum critical point. Decoding recovers population from excited states and enhances the success probability of quantum annealing. Moreover, we have demonstrated that using repetition codes with increasing code distance can lower the effective temperature of the annealer. References: K.L. Pudenz, T. Albash, D.A. Lidar, ``Error corrected quantum annealing with hundreds of qubits'', Nature Commun. 5, 3243 (2014). K.L. Pudenz, T. Albash, D.A. Lidar, ``Quantum annealing correction for random Ising problems'', Phys. Rev. A. 91, 042302 (2015). S. Matsuura, H. Nishimori, T. Albash, D.A. Lidar, ``Mean Field Analysis of Quantum Annealing Correction''. arXiv:1510.07709. W. Vinci et al., in preparation.

Free Energies of Quantum Particles: The Coupled-Perturbed Quantum Umbrella Sampling Method.

PubMed

Glover, William J; Casey, Jennifer R; Schwartz, Benjamin J

2014-10-14

We introduce a new simulation method called Coupled-Perturbed Quantum Umbrella Sampling that extends the classical umbrella sampling approach to reaction coordinates involving quantum mechanical degrees of freedom. The central idea in our method is to solve coupled-perturbed equations to find the response of the quantum system's wave function along a reaction coordinate of interest. This allows for propagation of the system's dynamics under the influence of a quantum biasing umbrella potential and provides a method to rigorously undo the effects of the bias to compute equilibrium ensemble averages. In this way, one can drag electrons into regions of high free energy where they would otherwise not go, thus enabling chemistry by fiat. We demonstrate the applicability of our method for two condensed-phase systems of interest. First, we consider the interaction of a hydrated electron with an aqueous sodium cation, and we calculate a potential of mean force that shows that an e(-):Na(+) contact pair is the thermodynamically favored product starting from either a neutral sodium atom or the separate cation and electron species. Second, we present the first determination of a hydrated electron's free-energy profile relative to an air/water interface. For the particular model parameters used, we find that the hydrated electron is more thermodynamically stable in the bulk rather than at the interface. Our analysis suggests that the primary driving force keeping the electron away from the interface is the long-range electron-solvent polarization interaction rather than the short-range details of the chosen pseudopotential.

Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

PubMed

Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

2014-10-22

We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

Quantum electric-dipole liquid on a triangular lattice.

PubMed

Shen, Shi-Peng; Wu, Jia-Chuan; Song, Jun-Da; Sun, Xue-Feng; Yang, Yi-Feng; Chai, Yi-Sheng; Shang, Da-Shan; Wang, Shou-Guo; Scott, James F; Sun, Young

2016-02-04

Geometric frustration and quantum fluctuations may prohibit the formation of long-range ordering even at the lowest temperature, and therefore liquid-like ground states could be expected. A good example is the quantum spin liquid in frustrated magnets. Geometric frustration and quantum fluctuations can happen beyond magnetic systems. Here we propose that quantum electric-dipole liquids, analogues of quantum spin liquids, could emerge in frustrated dielectrics where antiferroelectrically coupled electric dipoles reside on a triangular lattice. The quantum paraelectric hexaferrite BaFe12O19 with geometric frustration represents a promising candidate for the proposed electric-dipole liquid. We present a series of experimental lines of evidence, including dielectric permittivity, heat capacity and thermal conductivity measured down to 66 mK, to reveal the existence of an unusual liquid-like quantum phase in BaFe12O19, characterized by itinerant low-energy excitations with a small gap. The possible quantum liquids of electric dipoles in frustrated dielectrics open up a fresh playground for fundamental physics.

Significant reduction in NiO band gap upon formation of Lix Ni1-x O alloys: applications to solar energy conversion.

PubMed

Alidoust, Nima; Toroker, Maytal Caspary; Keith, John A; Carter, Emily A

2014-01-01

Long-term sustainable solar energy conversion relies on identifying economical and versatile semiconductor materials with appropriate band structures for photovoltaic and photocatalytic applications (e.g., band gaps of ∼ 1.5-2.0 eV). Nickel oxide (NiO) is an inexpensive yet highly promising candidate. Its charge-transfer character may lead to longer carrier lifetimes needed for higher efficiencies, and its conduction band edge is suitable for driving hydrogen evolution via water-splitting. However, NiO's large band gap (∼ 4 eV) severely limits its use in practical applications. Our first-principles quantum mechanics calculations show band gaps dramatically decrease to ∼ 2.0 eV when NiO is alloyed with Li2O. We show that Lix Ni1-x O alloys (with x=0.125 and 0.25) are p-type semiconductors, contain states with no impurity levels in the gap and maintain NiO's desirable charge-transfer character. Lastly, we show that the alloys have potential for photoelectrochemical applications, with band edges well-placed for photocatalytic hydrogen production and CO2 reduction, as well as in tandem dye-sensitized solar cells as a photocathode. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Harnessing Sun's Energy with Quantum Dots Based Next Generation Solar Cell.

PubMed

Halim, Mohammad A

2012-12-27

Our energy consumption relies heavily on the three components of fossil fuels (oil, natural gas and coal) and nearly 83% of our current energy is consumed from those sources. The use of fossil fuels, however, has been viewed as a major environmental threat because of their substantial contribution to greenhouse gases which are responsible for increasing the global average temperature. Last four decades, scientists have been searching for alternative sources of energy which need to be environmentally clean, efficient, cost-effective, renewable, and sustainable. One of the promising sustainable sources of energy can be achieved by harnessing sun energy through silicon wafer, organic polymer, inorganic dye, and quantum dots based solar cells. Among them, quantum dots have an exceptional property in that they can excite multiple electrons using only one photon. These dots can easily be synthesized, processed in solution, and incorporated into solar cell application. Interestingly, the quantum dots solar cells can exceed the Shockley - Queisser limit; however, it is a great challenge for other solar cell materials to exceed the limit. Theoretically, the quantum dots solar cell can boost the power conversion efficiency up to 66% and even higher to 80%. Moreover, in changing the size of the quantum dots one can utilize the Sun's broad spectrum of visible and infrared ranges. This review briefly overviews the present performance of different materials-based solar cells including silicon wafer, dye-sensitized, and organic solar cells. In addition, recent advances of the quantum dots based solar cells which utilize cadmium sulfide/selenide, lead sulfide/selenide, and new carbon dots as light harvesting materials has been reviewed. A future outlook is sketched as to how one could improve the efficiency up to 10% from the current highest efficiency of 6.6%.

Quantum effects in energy and charge transfer in an artificial photosynthetic complex

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

Ghosh, Pulak Kumar; Smirnov, Anatoly Yu.; Nori, Franco

2011-06-28

We investigate the quantum dynamics of energy and charge transfer in a wheel-shaped artificial photosynthetic antenna-reaction center complex. This complex consists of six light-harvesting chromophores and an electron-acceptor fullerene. To describe quantum effects on a femtosecond time scale, we derive the set of exact non-Markovian equations for the Heisenberg operators of this photosynthetic complex in contact with a Gaussian heat bath. With these equations we can analyze the regime of strong system-bath interactions, where reorganization energies are of the order of the intersite exciton couplings. We show that the energy of the initially excited antenna chromophores is efficiently funneled tomore » the porphyrin-fullerene reaction center, where a charge-separated state is set up in a few picoseconds, with a quantum yield of the order of 95%. In the single-exciton regime, with one antenna chromophore being initially excited, we observe quantum beatings of energy between two resonant antenna chromophores with a decoherence time of {approx}100 fs. We also analyze the double-exciton regime, when two porphyrin molecules involved in the reaction center are initially excited. In this regime we obtain pronounced quantum oscillations of the charge on the fullerene molecule with a decoherence time of about 20 fs (at liquid nitrogen temperatures). These results show a way to directly detect quantum effects in artificial photosynthetic systems.« less

Energy Exchange in Driven Open Quantum Systems at Strong Coupling

NASA Astrophysics Data System (ADS)

Carrega, Matteo; Solinas, Paolo; Sassetti, Maura; Weiss, Ulrich

2016-06-01

The time-dependent energy transfer in a driven quantum system strongly coupled to a heat bath is studied within an influence functional approach. Exact formal expressions for the statistics of energy dissipation into the different channels are derived. The general method is applied to the driven dissipative two-state system. It is shown that the energy flows obey a balance relation, and that, for strong coupling, the interaction may constitute the major dissipative channel. Results in analytic form are presented for the particular value K =1/2 of strong Ohmic dissipation. The energy flows show interesting behaviors including driving-induced coherences and quantum stochastic resonances. It is found that the general characteristics persists for K near 1/2 .

Energy structure and radiative lifetimes of InxGa1-xN /AlN quantum dots

NASA Astrophysics Data System (ADS)

Aleksandrov, Ivan A.; Zhuravlev, Konstantin S.

2018-01-01

We report calculations of the ground state transition energies and the radiative lifetimes in InxGa1-xN /AlN quantum dots with different size and indium content. The ground state transition energy and the radiative lifetime of the InxGa1-xN /AlN quantum dots can be varied over a wide range by changing the height of the quantum dot and the indium content. The sizes and compositions for quantum dots emitting in the wavelength range for fiber-optic telecommunications have been found. The radiative lifetime of the InxGa1-xN /AlN quantum dots increases with increase in quantum dot height at a constant indium content, and increases with increase in indium content at constant quantum dot height. For quantum dots with constant ground state transition energy the radiative lifetime decreases with increase in indium content.

Evaporation of (quantum) black holes and energy conservation

NASA Astrophysics Data System (ADS)

Torres, R.; Fayos, F.; Lorente-Espín, O.

2013-03-01

We consider Hawking radiation as due to a tunneling process in a black hole were quantum corrections, derived from Quantum Einstein Gravity, are taken into account. The consequent derivation, satisfying conservation laws, leads to a deviation from an exact thermal spectrum. This has consequences for the information loss paradox since the non-thermal radiation is shown to carry information out of the black hole. Under the appropriate approximation, a quantum corrected temperature is assigned to the black hole. The evolution of the quantum black hole as it evaporates is then described by taking into account the full implications of energy conservation as well as the backscattered radiation. It is shown that, as a critical mass of the order of Planck's mass is reached, the evaporation process decelerates abruptly while the black hole mass decays towards this critical mass.

NREL Tests Energy Storage System to Fill Renewable Gaps | News | NREL

Science.gov Websites

Tests Energy Storage System to Fill Renewable Gaps NREL Tests Energy Storage System to Fill -megawatt energy storage system from Renewable Energy Systems (RES) Americas will assist research that aims to optimize the grid for wind and solar plants. The system arrived at NREL's National Wind Technology

Amorphous Ge quantum dots embedded in crystalline Si: ab initio results.

PubMed

Laubscher, M; Küfner, S; Kroll, P; Bechstedt, F

2015-10-14

We study amorphous Ge quantum dots embedded in a crystalline Si matrix through structure modeling and simulation using ab initio density functional theory including spin-orbit interaction and quasiparticle effects. Three models are generated by replacing a spherical region within diamond Si by Ge atoms and creating a disordered bond network with appropriate density inside the Ge quantum dot. After total-energy optimisations of the atomic geometry we compute the electronic and optical properties. We find three major effects: (i) the resulting nanostructures adopt a type-I heterostructure character; (ii) the lowest optical transitions occur only within the Ge quantum dots, and do not involve or cross the Ge-Si interface. (iii) for larger amorphous Ge quantum dots, with diameters of about 2.0 and 2.7 nm, absorption peaks appear in the mid-infrared spectral region. These are promising candidates for intense luminescence at photon energies below the gap energy of bulk Ge.

High efficient OLED displays prepared with the air-gapped bridges on quantum dot patterns for optical recycling

PubMed Central

Kim, Hyo-Jun; Shin, Min-Ho; Kim, Joo-Suc; Kim, Se-Eun; Kim, Young-Joo

2017-01-01

An optically efficient structure was proposed and fabricated to realize high brightness organic light emitting diode (OLED) displays based on a white OLED prepared with the air-gapped bridges on the quantum dot (QD) patterns. Compared with a conventional white OLED display, in our experiments, the optical intensity of the proposed OLED display shows the enhancement of 58.2% in the red color and 16.8% in the green color after applying the air-gapped bridge structure on QD patterns of 20 wt% concentration. This enhancement comes from the two facts that the QD patterns downconvert unnecessary blue or blue/green light to the required green or red light and the air-gapped bridges increase the color conversion efficiency of QDs by optical recycling using total internal reflection (TIR) at the interface. In addition, the color gamut of the proposed OLED display increases from 65.5 to 75.9% (NTSC x, y ratio) due to the narrow emission spectra of QDs. PMID:28211516

High efficient OLED displays prepared with the air-gapped bridges on quantum dot patterns for optical recycling

NASA Astrophysics Data System (ADS)

Kim, Hyo-Jun; Shin, Min-Ho; Kim, Joo-Suc; Kim, Se-Eun; Kim, Young-Joo

2017-02-01

An optically efficient structure was proposed and fabricated to realize high brightness organic light emitting diode (OLED) displays based on a white OLED prepared with the air-gapped bridges on the quantum dot (QD) patterns. Compared with a conventional white OLED display, in our experiments, the optical intensity of the proposed OLED display shows the enhancement of 58.2% in the red color and 16.8% in the green color after applying the air-gapped bridge structure on QD patterns of 20 wt% concentration. This enhancement comes from the two facts that the QD patterns downconvert unnecessary blue or blue/green light to the required green or red light and the air-gapped bridges increase the color conversion efficiency of QDs by optical recycling using total internal reflection (TIR) at the interface. In addition, the color gamut of the proposed OLED display increases from 65.5 to 75.9% (NTSC x, y ratio) due to the narrow emission spectra of QDs.

High efficient OLED displays prepared with the air-gapped bridges on quantum dot patterns for optical recycling.

PubMed

Kim, Hyo-Jun; Shin, Min-Ho; Kim, Joo-Suc; Kim, Se-Eun; Kim, Young-Joo

2017-02-17

An optically efficient structure was proposed and fabricated to realize high brightness organic light emitting diode (OLED) displays based on a white OLED prepared with the air-gapped bridges on the quantum dot (QD) patterns. Compared with a conventional white OLED display, in our experiments, the optical intensity of the proposed OLED display shows the enhancement of 58.2% in the red color and 16.8% in the green color after applying the air-gapped bridge structure on QD patterns of 20 wt% concentration. This enhancement comes from the two facts that the QD patterns downconvert unnecessary blue or blue/green light to the required green or red light and the air-gapped bridges increase the color conversion efficiency of QDs by optical recycling using total internal reflection (TIR) at the interface. In addition, the color gamut of the proposed OLED display increases from 65.5 to 75.9% (NTSC x, y ratio) due to the narrow emission spectra of QDs.

Possible observation of highly itinerant quantum magnetic monopoles in the frustrated pyrochlore Yb2Ti2O7

PubMed Central

Tokiwa, Y.; Yamashita, T.; Udagawa, M.; Kittaka, S.; Sakakibara, T; Terazawa, D.; Shimoyama, Y.; Terashima, T.; Yasui, Y.; Shibauchi, T.; Matsuda, Y.

2016-01-01

The low-energy elementary excitations in frustrated quantum magnets have fascinated researchers for decades. In frustrated Ising magnets on a pyrochlore lattice possessing macroscopically degenerate spin-ice ground states, the excitations have been discussed in terms of classical magnetic monopoles, which do not contain quantum fluctuations. Here we report unusual behaviours of magneto-thermal conductivity in the disordered spin-liquid regime of pyrochlore Yb2Ti2O7, which hosts frustrated spin-ice correlations with large quantum fluctuations owing to pseudospin-1/2 of Yb ions. The analysis of the temperature and magnetic field dependencies shows the presence of gapped elementary excitations. We find that the gap energy is largely suppressed from that expected in classical monopoles. Moreover, these excitations propagate a long distance without being scattered, in contrast to the diffusive nature of classical monopoles. These results suggests the emergence of highly itinerant quantum magnetic monopole, which is a heavy quasiparticle that propagates coherently in three-dimensional spin liquids. PMID:26912080

Possible observation of highly itinerant quantum magnetic monopoles in the frustrated pyrochlore Yb2Ti2O7.

PubMed

Tokiwa, Y; Yamashita, T; Udagawa, M; Kittaka, S; Sakakibara, T; Terazawa, D; Shimoyama, Y; Terashima, T; Yasui, Y; Shibauchi, T; Matsuda, Y

2016-02-25

The low-energy elementary excitations in frustrated quantum magnets have fascinated researchers for decades. In frustrated Ising magnets on a pyrochlore lattice possessing macroscopically degenerate spin-ice ground states, the excitations have been discussed in terms of classical magnetic monopoles, which do not contain quantum fluctuations. Here we report unusual behaviours of magneto-thermal conductivity in the disordered spin-liquid regime of pyrochlore Yb2Ti2O7, which hosts frustrated spin-ice correlations with large quantum fluctuations owing to pseudospin-1/2 of Yb ions. The analysis of the temperature and magnetic field dependencies shows the presence of gapped elementary excitations. We find that the gap energy is largely suppressed from that expected in classical monopoles. Moreover, these excitations propagate a long distance without being scattered, in contrast to the diffusive nature of classical monopoles. These results suggests the emergence of highly itinerant quantum magnetic monopole, which is a heavy quasiparticle that propagates coherently in three-dimensional spin liquids.

Role of quantum coherence in the thermodynamics of energy transfer

NASA Astrophysics Data System (ADS)

Henao, Ivan; Serra, Roberto M.

2018-06-01

Recent research on the thermodynamic arrow of time, at the microscopic scale, has questioned the universality of its direction. Theoretical studies showed that quantum correlations can be used to revert the natural heat flow (from the hot body to the cold one), posing an apparent challenge to the second law of thermodynamics. Such an "anomalous" heat current was observed in a recent experiment (K. Micadei et al., arXiv:1711.03323), by employing two spin systems initially quantum correlated. Nevertheless, the precise relationship between this intriguing phenomenon and the initial conditions that allow it is not fully evident. Here, we address energy transfer in a wider perspective, identifying a nonclassical contribution that applies to the reversion of the heat flow as well as to more general forms of energy exchange. We derive three theorems that describe the energy transfer between two microscopic systems, for arbitrary initial bipartite states. Using these theorems, we obtain an analytical bound showing that certain type of quantum coherence can optimize such a process, outperforming incoherent states. This genuine quantum advantage is corroborated through a characterization of the energy transfer between two qubits. For this system, it is shown that a large enough amount of coherence is necessary and sufficient to revert the thermodynamic arrow of time. As a second crucial consequence of the presented theorems, we introduce a class of nonequilibrium states that only allow unidirectional energy flow. In this way, we broaden the set where the standard Clausius statement of the second law applies.

Extended Acceleration in Slot Gaps and Pulsar High-Energy Emission

NASA Technical Reports Server (NTRS)

White, Nicholas E. (Technical Monitor); Muslimov, Alex G.; Harding, Alice K.

2003-01-01

We revise the physics of primary electron acceleration in the "slot gap" (SG) above the pulsar polar caps (PCs), a regime originally proposed by Arons and Scharlemann (1979) in their electrodynamic model of pulsar PCs. We employ the standard definition of the SG as a pair-free space between the last open field lines and the boundary of the pair plasma column which is expected to develop above the bulk of the PC. The rationale for our revision is that the proper treatment of primary acceleration within the pulsar SGs should take into account the effect of the narrow geometry of the gap on the electrodynamics within the gap and also to include the effect of inertial frame dragging on the particle acceleration. We show that the accelerating electric field within the gap, being significantly boosted by the effect of frame dragging, becomes reduced because of the gap geometry by a factor proportional to the square of the SG width. The combination of the effects of frame dragging and geometrical screening in the gap region naturally gives rise to a regime of extended acceleration, that is not limited to favorably curved field lines as in earlier models, and the possibility of multiple-pair production by curvature photons at very high altitudes, up to several stellar radii. We present our estimates of the characteristic SG thickness across the PC, energetics of primaries accelerated within the gap, high-energy bolometric luminosities emitted from the high altitudes in the gaps, and maximum heating luminosities produced by positrons returning from the elevated pair fronts. The estimated theoretical high-energy luminosities are in good agreement with the corresponding empirical relationships for gamma-ray pulsars. We illustrate the results of our modeling of the pair cascades and gamma-ray emission from the high altitudes in the SG for the Crab pulsar. The combination of the frame-dragging field and high-altitude SG emission enables both acceleration at the smaller

Thermodynamic limits to the efficiency of solar energy conversion by quantum devices

NASA Technical Reports Server (NTRS)

Buoncristiani, A. M.; Byvik, C. E.; Smith, B. T.

1981-01-01

The second law of thermodynamics imposes a strict limitation to the energy converted from direct solar radiation to useful work by a quantum device. This limitation requires that the amount of energy converted to useful work (energy in any form other than heat) can be no greater than the change in free energy of the radiation fields. Futhermore, in any real energy conversion device, not all of this available free energy in the radiation field can be converted to work because of basic limitations inherent in the device itself. A thermodynamic analysis of solar energy conversion by a completely general prototypical quantum device is presented. This device is completely described by two parameters, its operating temperature T sub R and the energy threshold of its absorption spectrum. An expression for the maximum thermodynamic efficiency of a quantum solar converter was derived in terms of these two parameters and the incident radiation spectrum. Efficiency curves for assumed solar spectral irradiance corresponding to air mass zero and air mass 1.5 are presented.

Modeling US Adult Obesity Trends: A System Dynamics Model for Estimating Energy Imbalance Gap

PubMed Central

Rahmandad, Hazhir; Huang, Terry T.-K.; Bures, Regina M.; Glass, Thomas A.

2014-01-01

Objectives. We present a system dynamics model that quantifies the energy imbalance gap responsible for the US adult obesity epidemic among gender and racial subpopulations. Methods. We divided the adult population into gender–race/ethnicity subpopulations and body mass index (BMI) classes. We defined transition rates between classes as a function of metabolic dynamics of individuals within each class. We estimated energy intake in each BMI class within the past 4 decades as a multiplication of the equilibrium energy intake of individuals in that class. Through calibration, we estimated the energy gap multiplier for each gender–race–BMI group by matching simulated BMI distributions for each subpopulation against national data with maximum likelihood estimation. Results. No subpopulation showed a negative or zero energy gap, suggesting that the obesity epidemic continues to worsen, albeit at a slower rate. In the past decade the epidemic has slowed for non-Hispanic Whites, is starting to slow for non-Hispanic Blacks, but continues to accelerate among Mexican Americans. Conclusions. The differential energy balance gap across subpopulations and over time suggests that interventions should be tailored to subpopulations’ needs. PMID:24832405

Impact of Interactive Engagement on Reducing the Gender Gap in Quantum Physics Learning Outcomes among Senior Secondary School Students

ERIC Educational Resources Information Center

Adegoke, Benson Adesina

2012-01-01

In this study, the author examines the extent to which an interactive engagement approach can reduce the gender gap in senior secondary school (SSS) (age 16-18 years) students' learning outcomes in quantum physics. One hundred and twenty one (male = 65; female = 56) SSS 3 students participated in this study. They were randomly selected from two…

Understanding quantum tunneling using diffusion Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Inack, E. M.; Giudici, G.; Parolini, T.; Santoro, G.; Pilati, S.

2018-03-01

In simple ferromagnetic quantum Ising models characterized by an effective double-well energy landscape the characteristic tunneling time of path-integral Monte Carlo (PIMC) simulations has been shown to scale as the incoherent quantum-tunneling time, i.e., as 1 /Δ2 , where Δ is the tunneling gap. Since incoherent quantum tunneling is employed by quantum annealers (QAs) to solve optimization problems, this result suggests that there is no quantum advantage in using QAs with respect to quantum Monte Carlo (QMC) simulations. A counterexample is the recently introduced shamrock model (Andriyash and Amin, arXiv:1703.09277), where topological obstructions cause an exponential slowdown of the PIMC tunneling dynamics with respect to incoherent quantum tunneling, leaving open the possibility for potential quantum speedup, even for stoquastic models. In this work we investigate the tunneling time of projective QMC simulations based on the diffusion Monte Carlo (DMC) algorithm without guiding functions, showing that it scales as 1 /Δ , i.e., even more favorably than the incoherent quantum-tunneling time, both in a simple ferromagnetic system and in the more challenging shamrock model. However, a careful comparison between the DMC ground-state energies and the exact solution available for the transverse-field Ising chain indicates an exponential scaling of the computational cost required to keep a fixed relative error as the system size increases.

Cosmological implications of quantum mechanics parametrization of dark energy

NASA Astrophysics Data System (ADS)

Szydłowski, Marek; Stachowski, Aleksander; Urbanowski, Krzysztof

2017-08-01

We consider the cosmology with the running dark energy. The parametrization of dark energy is derived from the quantum process of transition from the false vacuum state to the true vacuum state. This model is the generalized interacting CDM model. We consider the energy density of dark energy parametrization, which is given by the Breit-Wigner energy distribution function. The idea of the process of the quantum mechanical decay of unstable states was formulated by Krauss and Dent. We used this idea in our considerations. In this model is an energy transfer in the dark sector. In this evolutional scenario the universe starts from the false vacuum state and goes to the true vacuum state of the present day universe. The intermediate regime during the passage from false to true vacuum states takes place. In this way the cosmological constant problem can be tried to solve. We estimate the cosmological parameters for this model. This model is in a good agreement with the astronomical data and is practically indistinguishable from CDM model.

Ionization of deep quantum wells: Optical trampoline effect

NASA Astrophysics Data System (ADS)

Perlin, E. Yu.; Levitskiĭ, R. S.

2007-02-01

A new mechanism of transitions of an electronic system from the ground state to states with excitation energies exceeding many times the energy of a light photon initiating the transitions has been considered. This mechanism is based on the so-called optical “trampoline” effect: one of the interacting electrons receives energy from another electron and, simultaneously absorbing a photon ħω, overcomes the energy gap significantly exceeding ħω. Ionization of deep quantum wells by low-frequency light of moderate intensity due to the optical trampoline effect was calculated.

Which causal structures might support a quantum-classical gap?

NASA Astrophysics Data System (ADS)

Pienaar, Jacques

2017-04-01

A causal scenario is a graph that describes the cause and effect relationships between all relevant variables in an experiment. A scenario is deemed ‘not interesting’ if there is no device-independent way to distinguish the predictions of classical physics from any generalised probabilistic theory (including quantum mechanics). Conversely, an interesting scenario is one in which there exists a gap between the predictions of different operational probabilistic theories, as occurs for example in Bell-type experiments. Henson, Lal and Pusey (HLP) recently proposed a sufficient condition for a causal scenario to not be interesting. In this paper we supplement their analysis with some new techniques and results. We first show that existing graphical techniques due to Evans can be used to confirm by inspection that many graphs are interesting without having to explicitly search for inequality violations. For three exceptional cases—the graphs numbered \\#15,16,20 in HLP—we show that there exist non-Shannon type entropic inequalities that imply these graphs are interesting. In doing so, we find that existing methods of entropic inequalities can be greatly enhanced by conditioning on the specific values of certain variables.

Quantum Monte Carlo studies of superfluid Fermi gases

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

Chang, S.Y.; Pandharipande, V.R.; Carlson, J.

2004-10-01

We report results of quantum Monte Carlo calculations of the ground state of dilute Fermi gases with attractive short-range two-body interactions. The strength of the interaction is varied to study different pairing regimes which are characterized by the product of the s-wave scattering length and the Fermi wave vector, ak{sub F}. We report results for the ground-state energy, the pairing gap {delta}, and the quasiparticle spectrum. In the weak-coupling regime, 1/ak{sub F}<-1, we obtain Bardeen-Cooper-Schrieffer (BCS) superfluid and the energy gap {delta} is much smaller than the Fermi gas energy E{sub FG}. When a>0, the interaction is strong enough tomore » form bound molecules with energy E{sub mol}. For 1/ak{sub F} > or approx. 0.5, we find that weakly interacting composite bosons are formed in the superfluid gas with {delta} and gas energy per particle approaching E{sub mol}/2. In this region, we seem to have Bose-Einstein condensation (BEC) of molecules. The behavior of the energy and the gap in the BCS-to-BEC transition region, -0.5<1/ak{sub F}<0.5, is discussed.« less

Robust tunable excitonic features in monolayer transition metal dichalcogenide quantum dots

NASA Astrophysics Data System (ADS)

Fouladi-Oskouei, J.; Shojaei, S.; Liu, Z.

2018-04-01

The effects of quantum confinement on excitons in parabolic quantum dots of monolayer transition metal dichalcogenides (TMDC QDs) are investigated within a massive Dirac fermion model. A giant spin-valley coupling of the TMDC QDs is obtained, larger than that of monolayer TMDC sheets and consistent with recent experimental measurements. The exciton transition energy and the binding energy are calculated, and it is found that the strong quantum confinement results in extremely high exciton binding energies. The enormously large exciton binding energy in TMDC QDs (({{E}{{B2D}}}∼ 500 meV)<{{E}{{BQD}}}~≲ 1800 meV for different kinds of TMDC QDs) ensures that the many body interactions play a significant role in the investigation of the optical properties of these novel nanostructures. The estimated oscillator strength and radiative lifetime of excitons are strongly size-dependent and indicate a giant oscillator strength enhancement and ultrafast radiative annihilation of excitons, varying from a few tens of femtoseconds to a few picoseconds. We found that the spin-dependent band gap, spin-valley coupling, binding energy and excitonic effects can be tuned by quantum confinements, leading to tunable quantum dots in monolayer TMDCs. This finding offers new functionality in engineering the interaction of a 2D material with light and creates promise for the quantum manipulation of spin and valley degrees of freedom in TMDC nanostructures, enabling versatile novel 2D quantum photonic and optoelectronic nanodevices.

Electrostatically confined trilayer graphene quantum dots

NASA Astrophysics Data System (ADS)

Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F. M.

2017-04-01

Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry EKe(m ) =-EK'h(m ) for the electron (e ) and hole (h ) states, where m is the angular momentum quantum number and K and K ' label the two valleys. The electron and hole spectra for B =0 are twofold degenerate due to the intervalley symmetry EK(m ) =EK'[-(m +1 ) ] . For both ABC [α =1.5 (1.2) for large (small) R ] and ABA (α =1 ) stackings, the lowest-energy levels show approximately a R-α dependence on the dot radius R in contrast with the 1 /R3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B , the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.

Effective theory of monolayer TMDC double quantum dots

NASA Astrophysics Data System (ADS)

David, Alessandro; Burkard, Guido; Kormányos, Andor

2018-07-01

Monolayer transition metal dichalcogenides (TMDCs) are promising candidates for quantum technologies, such as spin qubits in quantum dots, because they are truly two-dimensional semiconductors with a direct band gap. In this work, we analyse theoretically the behaviour of a double quantum dot (DQD) system created in the conduction band of these materials, with two electrons in the (1,1) charge configuration. Motivated by recent experimental progress, we consider several scenarios, including different spin–orbit splittings in the two dots and including the case when the valley degeneracy is lifted due to an insulating ferromagnetic substrate. Finally, we discuss in which cases it is possible to reduce the low energy subspace to the lowest Kramers pairs. We find that in this case the low energy model is formally identical to the Heisenberg exchange Hamiltonian, indicating that such Kramers pairs may serve as qubit implementations.

Slow Auger Relaxation in HgTe Colloidal Quantum Dots.

PubMed

Melnychuk, Christopher; Guyot-Sionnest, Philippe

2018-05-03

The biexciton lifetimes in HgTe colloidal quantum dots are measured as a function of particle size. Samples produced by two synthetic methods, leading to partially aggregated or well-dispersed particles, exhibit markedly different dynamics. The relaxation characteristics of partially aggregated HgTe inhibit reliable determinations of the Auger lifetime. In well-dispersed HgTe quantum dots, the biexciton lifetime increases approximately linearly with particle volume, confirming trends observed in other systems. The extracted Auger coefficient is three orders of magnitude smaller than that for bulk HgCdTe materials with similar energy gaps. We discuss these findings in the context of understanding Auger relaxation in quantum-confined systems and their relevance to mid-infrared optoelectronic devices based on HgTe colloidal quantum dots.

Pressure Study of Photoluminescence in GaN/InGaN/ AlGaN Quantum Wells

NASA Astrophysics Data System (ADS)

Perlin, Piotr; Iota, V.; Weinstein, B. A.; Wisniewski, P.; Osinski, M.; Eliseev, P. G.

1997-03-01

We have studied the photoluminescence (PL) from two commercial high brightness single quantum well light emitting diodes (Nichia Chem. Industs.) with In_xGa_1-x N (x=0.45 and 0.2) as the active layers under hydrostatic pressures up to 7 GPa. These diodes are the best existing light emitters at short wavelengths, having the emission wavelengths of 430 nm and 530 nm depending on the content of indium in the 30 Åthick quantum wells. Although these devices show a remarkable quality and efficiency (luminosity as high as 12 cd), the mechanism of recombination remains obscure. We discovered that the pressure coefficient for each of the observed PL peaks is dramatically (2-3 times) lower than that of the energy gap of its InGaN active layer. These observations, in conjunction with the fact that the observed emission occurs below the energy gap of the quantum well material, and also considering the anomalous temperature behavior of the emission (peak energy increasing with temperature) suggest the involvement of localized states and exclude a simple band-to-band recombination picture. These localized states may be tentatively attributed to the presence of band tails in the gap which stem from composition fluctuations in the InGaN alloy. (figures)

Machine Learning Prediction of the Energy Gap of Graphene Nanoflakes Using Topological Autocorrelation Vectors.

PubMed

Fernandez, Michael; Abreu, Jose I; Shi, Hongqing; Barnard, Amanda S

2016-11-14

The possibility of band gap engineering in graphene opens countless new opportunities for application in nanoelectronics. In this work, the energy gaps of 622 computationally optimized graphene nanoflakes were mapped to topological autocorrelation vectors using machine learning techniques. Machine learning modeling revealed that the most relevant correlations appear at topological distances in the range of 1 to 42 with prediction accuracy higher than 80%. The data-driven model can statistically discriminate between graphene nanoflakes with different energy gaps on the basis of their molecular topology.

Soft Coulomb gap and asymmetric scaling towards metal-insulator quantum criticality in multilayer MoS2.

PubMed

Moon, Byoung Hee; Bae, Jung Jun; Joo, Min-Kyu; Choi, Homin; Han, Gang Hee; Lim, Hanjo; Lee, Young Hee

2018-05-24

Quantum localization-delocalization of carriers are well described by either carrier-carrier interaction or disorder. When both effects come into play, however, a comprehensive understanding is not well established mainly due to complexity and sparse experimental data. Recently developed two-dimensional layered materials are ideal in describing such mesoscopic critical phenomena as they have both strong interactions and disorder. The transport in the insulating phase is well described by the soft Coulomb gap picture, which demonstrates the contribution of both interactions and disorder. Using this picture, we demonstrate the critical power law behavior of the localization length, supporting quantum criticality. We observe asymmetric critical exponents around the metal-insulator transition through temperature scaling analysis, which originates from poor screening in insulating regime and conversely strong screening in metallic regime due to free carriers. The effect of asymmetric scaling behavior is weakened in monolayer MoS 2 due to a dominating disorder.

Quantum Hall ferromagnets and transport properties of buckled Dirac materials

NASA Astrophysics Data System (ADS)

Luo, Wenchen; Chakraborty, Tapash

2015-10-01

We study the ground states and low-energy excitations of a generic Dirac material with spin-orbit coupling and a buckling structure in the presence of a magnetic field. The ground states can be classified into three types under different conditions: SU(2), easy-plane, and Ising quantum Hall ferromagnets. For the SU(2) and the easy-plane quantum Hall ferromagnets there are goldstone modes in the collective excitations, while all the modes are gapped in an Ising-type ground state. We compare the Ising quantum Hall ferromagnet with that of bilayer graphene and present the domain-wall solution at finite temperatures. We then specify the phase transitions and transport gaps in silicene in Landau levels 0 and 1. The phase diagram depends strongly on the magnetic field and the dielectric constant. We note that there exist triple points in the phase diagrams in Landau level N =1 that could be observed in experiments.

Exponential energy growth due to slow parameter oscillations in quantum mechanical systems.

PubMed

Turaev, Dmitry

2016-05-01

It is shown that a periodic emergence and destruction of an additional quantum number leads to an exponential growth of energy of a quantum mechanical system subjected to a slow periodic variation of parameters. The main example is given by systems (e.g., quantum billiards and quantum graphs) with periodically divided configuration space. In special cases, the process can also lead to a long period of cooling that precedes the acceleration, and to the desertion of the states with a particular value of the quantum number.

Coherently-enabled environmental control of optics and energy transfer pathways of hybrid quantum dot-metallic nanoparticle systems.

PubMed

Hatef, Ali; Sadeghi, Seyed M; Fortin-Deschênes, Simon; Boulais, Etienne; Meunier, Michel

2013-03-11

It is well-known that optical properties of semiconductor quantum dots can be controlled using optical cavities or near fields of localized surface plasmon resonances (LSPRs) of metallic nanoparticles. In this paper we study the optics, energy transfer pathways, and exciton states of quantum dots when they are influenced by the near fields associated with plasmonic meta-resonances. Such resonances are formed via coherent coupling of excitons and LSPRs when the quantum dots are close to metallic nanorods and driven by a laser beam. Our results suggest an unprecedented sensitivity to the refractive index of the environment, causing significant spectral changes in the Förster resonance energy transfer from the quantum dots to the nanorods and in exciton transition energies. We demonstrate that when a quantum dot-metallic nanorod system is close to its plasmonic meta-resonance, we can adjust the refractive index to: (i) control the frequency range where the energy transfer from the quantum dot to the metallic nanorod is inhibited, (ii) manipulate the exciton transition energy shift of the quantum dot, and (iii) disengage the quantum dot from the metallic nanoparticle and laser field. Our results show that near meta-resonances the spectral forms of energy transfer and exciton energy shifts are strongly correlated to each other.

Harnessing Sun’s Energy with Quantum Dots Based Next Generation Solar Cell

PubMed Central

Halim, Mohammad A.

2012-01-01

Our energy consumption relies heavily on the three components of fossil fuels (oil, natural gas and coal) and nearly 83% of our current energy is consumed from those sources. The use of fossil fuels, however, has been viewed as a major environmental threat because of their substantial contribution to greenhouse gases which are responsible for increasing the global average temperature. Last four decades, scientists have been searching for alternative sources of energy which need to be environmentally clean, efficient, cost-effective, renewable, and sustainable. One of the promising sustainable sources of energy can be achieved by harnessing sun energy through silicon wafer, organic polymer, inorganic dye, and quantum dots based solar cells. Among them, quantum dots have an exceptional property in that they can excite multiple electrons using only one photon. These dots can easily be synthesized, processed in solution, and incorporated into solar cell application. Interestingly, the quantum dots solar cells can exceed the Shockley-Queisser limit; however, it is a great challenge for other solar cell materials to exceed the limit. Theoretically, the quantum dots solar cell can boost the power conversion efficiency up to 66% and even higher to 80%. Moreover, in changing the size of the quantum dots one can utilize the Sun’s broad spectrum of visible and infrared ranges. This review briefly overviews the present performance of different materials-based solar cells including silicon wafer, dye-sensitized, and organic solar cells. In addition, recent advances of the quantum dots based solar cells which utilize cadmium sulfide/selenide, lead sulfide/selenide, and new carbon dots as light harvesting materials has been reviewed. A future outlook is sketched as to how one could improve the efficiency up to 10% from the current highest efficiency of 6.6%. PMID:28348320

Spin valley and giant quantum spin Hall gap of hydrofluorinated bismuth nanosheet.

PubMed

Gao, Heng; Wu, Wei; Hu, Tao; Stroppa, Alessandro; Wang, Xinran; Wang, Baigeng; Miao, Feng; Ren, Wei

2018-05-09

Spin-valley and electronic band topological properties have been extensively explored in quantum material science, yet their coexistence has rarely been realized in stoichiometric two-dimensional (2D) materials. We theoretically predict the quantum spin Hall effect (QSHE) in the hydrofluorinated bismuth (Bi 2 HF) nanosheet where the hydrogen (H) and fluorine (F) atoms are functionalized on opposite sides of bismuth (Bi) atomic monolayer. Such Bi 2 HF nanosheet is found to be a 2D topological insulator with a giant band gap of 0.97 eV which might host room temperature QSHE. The atomistic structure of Bi 2 HF nanosheet is noncentrosymmetric and the spontaneous polarization arises from the hydrofluorinated morphology. The phonon spectrum and ab initio molecular dynamic (AIMD) calculations reveal that the proposed Bi 2 HF nanosheet is dynamically and thermally stable. The inversion symmetry breaking together with spin-orbit coupling (SOC) leads to the coupling between spin and valley in Bi 2 HF nanosheet. The emerging valley-dependent properties and the interplay between intrinsic dipole and SOC are investigated using first-principles calculations combined with an effective Hamiltonian model. The topological invariant of the Bi 2 HF nanosheet is confirmed by using Wilson loop method and the calculated helical metallic edge states are shown to host QSHE. The Bi 2 HF nanosheet is therefore a promising platform to realize room temperature QSHE and valley spintronics.

Quantum random bit generation using energy fluctuations in stimulated Raman scattering.

PubMed

Bustard, Philip J; England, Duncan G; Nunn, Josh; Moffatt, Doug; Spanner, Michael; Lausten, Rune; Sussman, Benjamin J

2013-12-02

Random number sequences are a critical resource in modern information processing systems, with applications in cryptography, numerical simulation, and data sampling. We introduce a quantum random number generator based on the measurement of pulse energy quantum fluctuations in Stokes light generated by spontaneously-initiated stimulated Raman scattering. Bright Stokes pulse energy fluctuations up to five times the mean energy are measured with fast photodiodes and converted to unbiased random binary strings. Since the pulse energy is a continuous variable, multiple bits can be extracted from a single measurement. Our approach can be generalized to a wide range of Raman active materials; here we demonstrate a prototype using the optical phonon line in bulk diamond.

Hidden edge Dirac point and robust quantum edge transport in InAs/GaSb quantum wells

NASA Astrophysics Data System (ADS)

Li, Chang-An; Zhang, Song-Bo; Shen, Shun-Qing

2018-01-01

The robustness of quantum edge transport in InAs/GaSb quantum wells in the presence of magnetic fields raises an issue on the fate of topological phases of matter under time-reversal symmetry breaking. A peculiar band structure evolution in InAs/GaSb quantum wells is revealed: the electron subbands cross the heavy hole subbands but anticross the light hole subbands. The topologically protected band crossing point (Dirac point) of the helical edge states is pulled to be close to and even buried in the bulk valence bands when the system is in a deeply inverted regime, which is attributed to the existence of the light hole subbands. A sizable Zeeman energy gap verified by the effective g factors of edge states opens at the Dirac point by an in-plane or perpendicular magnetic field; however, it can also be hidden in the bulk valance bands. This provides a plausible explanation for the recent observation on the robustness of quantum edge transport in InAs/GaSb quantum wells subjected to strong magnetic fields.

Energy Gap in the Aetiology of Body Weight Gain and Obesity: A Challenging Concept with a Complex Evaluation and Pitfalls

PubMed Central

Schutz, Yves; Byrne, Nuala M.; Dulloo, Abdul; Hills, Andrew P.

2014-01-01

The concept of energy gap(s) is useful for understanding the consequence of a small daily, weekly, or monthly positive energy balance and the inconspicuous shift in weight gain ultimately leading to overweight and obesity. Energy gap is a dynamic concept: an initial positive energy gap incurred via an increase in energy intake (or a decrease in physical activity) is not constant, may fade out with time if the initial conditions are maintained, and depends on the ‘efficiency’ with which the readjustment of the energy imbalance gap occurs with time. The metabolic response to an energy imbalance gap and the magnitude of the energy gap(s) can be estimated by at least two methods, i.e. i) assessment by longitudinal overfeeding studies, imposing (by design) an initial positive energy imbalance gap; ii) retrospective assessment based on epidemiological surveys, whereby the accumulated endogenous energy storage per unit of time is calculated from the change in body weight and body composition. In order to illustrate the difficulty of accurately assessing an energy gap we have used, as an illustrative example, a recent epidemiological study which tracked changes in total energy intake (estimated by gross food availability) and body weight over 3 decades in the US, combined with total energy expenditure prediction from body weight using doubly labelled water data. At the population level, the study attempted to assess the cause of the energy gap purported to be entirely due to increased food intake. Based on an estimate of change in energy intake judged to be more reliable (i.e. in the same study population) and together with calculations of simple energetic indices, our analysis suggests that conclusions about the fundamental causes of obesity development in a population (excess intake vs. low physical activity or both) is clouded by a high level of uncertainty. PMID:24457473

Energy gap in the aetiology of body weight gain and obesity: a challenging concept with a complex evaluation and pitfalls.

PubMed

Schutz, Yves; Byrne, Nuala M; Dulloo, Abdul; Hills, Andrew P

2014-01-01

The concept of energy gap(s) is useful for understanding the consequence of a small daily, weekly, or monthly positive energy balance and the inconspicuous shift in weight gain ultimately leading to overweight and obesity. Energy gap is a dynamic concept: an initial positive energy gap incurred via an increase in energy intake (or a decrease in physical activity) is not constant, may fade out with time if the initial conditions are maintained, and depends on the 'efficiency' with which the readjustment of the energy imbalance gap occurs with time. The metabolic response to an energy imbalance gap and the magnitude of the energy gap(s) can be estimated by at least two methods, i.e. i) assessment by longitudinal overfeeding studies, imposing (by design) an initial positive energy imbalance gap; ii) retrospective assessment based on epidemiological surveys, whereby the accumulated endogenous energy storage per unit of time is calculated from the change in body weight and body composition. In order to illustrate the difficulty of accurately assessing an energy gap we have used, as an illustrative example, a recent epidemiological study which tracked changes in total energy intake (estimated by gross food availability) and body weight over 3 decades in the US, combined with total energy expenditure prediction from body weight using doubly labelled water data. At the population level, the study attempted to assess the cause of the energy gap purported to be entirely due to increased food intake. Based on an estimate of change in energy intake judged to be more reliable (i.e. in the same study population) and together with calculations of simple energetic indices, our analysis suggests that conclusions about the fundamental causes of obesity development in a population (excess intake vs. low physical activity or both) is clouded by a high level of uncertainty. © 2014 S. Karger GmbH, Freiburg.

The Wind Energy Workforce Gap in the United States

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

Tegen, Suzanne I; Keyser, David J

There are more than 100,000 jobs in the U.S. wind industry today, and the second-fastest growing job in the United States in 2017 was wind technician. A vibrant wind industry needs workers, and students who graduate from wind energy education and training programs need jobs. The goal of this research is to better understand the needs of wind-related businesses, education and training requirements, and the make-up of current and future domestic workforces. Educators are developing and training future workers. Educational institutions need to know which courses to provide to connect students with potential employers and to justify their wind energymore » programs by being able to place graduates into well-paying jobs. In interviews with 250 wind energy firms and 50 educational institutions, many respondents reported difficulty hiring qualified candidates, while many educational institutions reported graduates not finding jobs in the wind industry. We refer to this mismatch as the 'workforce gap.' This conference poster explores this gap.« less

Long-range energy transfer in self-assembled quantum dot-DNA cascades

NASA Astrophysics Data System (ADS)

Goodman, Samuel M.; Siu, Albert; Singh, Vivek; Nagpal, Prashant

2015-11-01

The size-dependent energy bandgaps of semiconductor nanocrystals or quantum dots (QDs) can be utilized in converting broadband incident radiation efficiently into electric current by cascade energy transfer (ET) between layers of different sized quantum dots, followed by charge dissociation and transport in the bottom layer. Self-assembling such cascade structures with angstrom-scale spatial precision is important for building realistic devices, and DNA-based QD self-assembly can provide an important alternative. Here we show long-range Dexter energy transfer in QD-DNA self-assembled single constructs and ensemble devices. Using photoluminescence, scanning tunneling spectroscopy, current-sensing AFM measurements in single QD-DNA cascade constructs, and temperature-dependent ensemble devices using TiO2 nanotubes, we show that Dexter energy transfer, likely mediated by the exciton-shelves formed in these QD-DNA self-assembled structures, can be used for efficient transport of energy across QD-DNA thin films.The size-dependent energy bandgaps of semiconductor nanocrystals or quantum dots (QDs) can be utilized in converting broadband incident radiation efficiently into electric current by cascade energy transfer (ET) between layers of different sized quantum dots, followed by charge dissociation and transport in the bottom layer. Self-assembling such cascade structures with angstrom-scale spatial precision is important for building realistic devices, and DNA-based QD self-assembly can provide an important alternative. Here we show long-range Dexter energy transfer in QD-DNA self-assembled single constructs and ensemble devices. Using photoluminescence, scanning tunneling spectroscopy, current-sensing AFM measurements in single QD-DNA cascade constructs, and temperature-dependent ensemble devices using TiO2 nanotubes, we show that Dexter energy transfer, likely mediated by the exciton-shelves formed in these QD-DNA self-assembled structures, can be used for efficient

Proximity enhanced quantum spin Hall state in graphene

DOE PAGES

Kou, Liangzhi; Hu, Feiming; Yan, Binghai; ...

2015-02-23

Graphene is the first model system of two-dimensional topological insulator (TI), also known as quantum spin Hall (QSH) insulator. The QSH effect in graphene, however, has eluded direct experimental detection because of its extremely small energy gap due to the weak spin–orbit coupling. Here we predict by ab initio calculations a giant (three orders of magnitude) proximity induced enhancement of the TI energy gap in the graphene layer that is sandwiched between thin slabs of Sb 2Te 3 (or MoTe 2). This gap (1.5 meV) is accessible by existing experimental techniques, and it can be further enhanced by tuning themore » interlayer distance via compression. We reveal by a tight-binding study that the QSH state in graphene is driven by the Kane–Mele interaction in competition with Kekulé deformation and symmetry breaking. As a result, the present work identifies a new family of graphene-based TIs with an observable and controllable bulk energy gap in the graphene layer, thus opening a new avenue for direct verification and exploration of the long-sought QSH effect in graphene.« less

Tuning Surface Energy Landscapes in Metallic Quantum Films using Alkali Adsorbates

NASA Astrophysics Data System (ADS)

Khajetoorians, Alexander; Qin, Shengyong; Zhu, Wenguang; Eisele, Holger; Zhang, Zhenyu; Shih, Chih-Kang

2008-03-01

Quantum confinement shows a strong interplay with growth and kinetics in thin metal systems where the Fermi wavelength has a special relationship to the surface normal lattice constant. In the case of Pb/Si(111) systems, this relationship reveals an interesting thickness-dependent bilayer oscillation in the density of states and surface energy up to a phase. In this paper, we report on a novel effect: tuning of the energy landscape of a flat-top quantum Pb mesa using Cs adsorbates. Using STM/STS, we show that depositing Cs adsorbates on a thin Pb mesa promotes quantum stable Pb nanoislands on preferentially unstable thicknesses. Thickness-dependent nanoisland densities show a strong bilayer oscillation correlating with quantum stability. By modifying the Cs coverage on the mesa surface, we can tune the lateral size distribution of the nanoislands and the overall amplitude of the island density oscillation. Nanoisland formation is linked to a step decoration of Cs adatoms along the step edge of the nanoisland.

Theoretical investigations on diamondoids (CnHm, n = 10-41): Nomenclature, structural stabilities, and gap distributions

NASA Astrophysics Data System (ADS)

Wang, Ya-Ting; Zhao, Yu-Jun; Liao, Ji-Hai; Yang, Xiao-Bao

2018-01-01

Combining the congruence check and the first-principles calculations, we have systematically investigated the structural stabilities and gap distributions of possible diamondoids (CnHm) with the carbon numbers (n) from 10 to 41. A simple method for the nomenclature is proposed, which can be used to distinguish and screen the candidates with high efficiency. Different from previous theoretical studies, the possible diamondoids can be enumerated according to our nomenclature, without any pre-determination from experiments. The structural stabilities and electronic properties have been studied by density functional based tight binding and first-principles methods, where a nearly linear correlation is found between the energy gaps obtained by these two methods. According to the formation energy of structures, we have determined the stable configurations as a function of chemical potential. The maximum and minimum energy gaps are found to be dominated by the shape of diamondoids for clusters with a given number of carbon atoms, while the gap decreases in general as the size increases due to the quantum confinement.

Experimental and theoretical investigation of relative optical band gaps in graphene generations

NASA Astrophysics Data System (ADS)

Bhatnagar, Deepika; Singh, Sukhbir; Yadav, Sriniwas; Kumar, Ashok; Kaur, Inderpreet

2017-01-01

Size and chemical functionalization dependant optical band gaps in graphene family nanomaterials were investigated by experimental and theoretical study using Tauc plot and density functional theory (DFT). We have synthesized graphene oxide through a modified Hummer’s method using graphene nanoplatelets and sequentially graphene quantum dots through hydrothermal reduction. The experimental results indicate that the optical band gap in graphene generations was altered by reducing the size of graphene sheets and attachment of chemical functionalities like epoxy, hydroxyl and carboxyl groups plays a crucial role in varying optical band gaps. It is further confirmed by DFT calculations that the π orbitals were more dominatingly participating in transitions shown by projected density of states and the molecular energy spectrum represented the effect of attached functional groups along with discreteness in energy levels. Theoretical results were found to be in good agreement with experimental results. All of the above different variants of graphene can be used in native or modified form for sensor design and optoelectronic applications.

Mobility gap and quantum transport in a functionalized graphene bilayer.

PubMed

Missaoui, Ahmed; Khabthani, Jouda Jemaa; Jaidane, Nejm-Eddine; Mayou, Didier; Trambly de Laissardière, Guy

2018-05-16

In a Bernal graphene bilayer, carbon atoms belong to two inequivalent sublattices A and B, with atoms that are coupled to the other layer by [Formula: see text] bonds belonging to sublattice A and the other atoms belonging to sublattice B. We analyze the density of states and the conductivity of Bernal graphene bilayers when atoms of sublattice A or B only are randomly functionalized. We find that for a selective functionalization on sublattice B only, a mobility gap of the order of 0.5 eV is formed close to the Dirac energy at concentration of adatoms [Formula: see text]. In addition, at some other energies conductivity presents anomalous behaviors. We show that these properties are related to the bipartite structure of the graphene layer.

Mobility gap and quantum transport in a functionalized graphene bilayer

NASA Astrophysics Data System (ADS)

Missaoui, Ahmed; Jemaa Khabthani, Jouda; Jaidane, Nejm-Eddine; Mayou, Didier; Trambly de Laissardière, Guy

2018-05-01

In a Bernal graphene bilayer, carbon atoms belong to two inequivalent sublattices A and B, with atoms that are coupled to the other layer by bonds belonging to sublattice A and the other atoms belonging to sublattice B. We analyze the density of states and the conductivity of Bernal graphene bilayers when atoms of sublattice A or B only are randomly functionalized. We find that for a selective functionalization on sublattice B only, a mobility gap of the order of 0.5 eV is formed close to the Dirac energy at concentration of adatoms . In addition, at some other energies conductivity presents anomalous behaviors. We show that these properties are related to the bipartite structure of the graphene layer.

Efficient energy transfer in light-harvesting systems: Quantum-classical comparison, flux network, and robustness analysis

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

Wu Jianlan; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139; Liu Fan

2012-11-07

Following the calculation of optimal energy transfer in thermal environment in our first paper [J. L. Wu, F. Liu, Y. Shen, J. S. Cao, and R. J. Silbey, New J. Phys. 12, 105012 (2010)], full quantum dynamics and leading-order 'classical' hopping kinetics are compared in the seven-site Fenna-Matthews-Olson (FMO) protein complex. The difference between these two dynamic descriptions is due to higher-order quantum corrections. Two thermal bath models, classical white noise (the Haken-Strobl-Reineker (HSR) model) and quantum Debye model, are considered. In the seven-site FMO model, we observe that higher-order corrections lead to negligible changes in the trapping time ormore » in energy transfer efficiency around the optimal and physiological conditions (2% in the HSR model and 0.1% in the quantum Debye model for the initial site at BChl 1). However, using the concept of integrated flux, we can identify significant differences in branching probabilities of the energy transfer network between hopping kinetics and quantum dynamics (26% in the HSR model and 32% in the quantum Debye model for the initial site at BChl 1). This observation indicates that the quantum coherence can significantly change the distribution of energy transfer pathways in the flux network with the efficiency nearly the same. The quantum-classical comparison of the average trapping time with the removal of the bottleneck site, BChl 4, demonstrates the robustness of the efficient energy transfer by the mechanism of multi-site quantum coherence. To reconcile with the latest eight-site FMO model which is also investigated in the third paper [J. Moix, J. L. Wu, P. F. Huo, D. F. Coker, and J. S. Cao, J. Phys. Chem. Lett. 2, 3045 (2011)], the quantum-classical comparison with the flux network analysis is summarized in Appendix C. The eight-site FMO model yields similar trapping time and network structure as the seven-site FMO model but leads to a more disperse distribution of energy transfer pathways.« less

Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates.

PubMed

Barone, Vincenzo; Cacelli, Ivo; Ferretti, Alessandro; Prampolini, Giacomo

2017-03-14

The calculation of the energy gap between the magnetic states of organic poly-radicals still represents a challenging playground for quantum chemistry, and high-level techniques are required to obtain accurate estimates. On these grounds, the aim of the present study is twofold. From the one side, it shows that, thanks to recent algorithmic and technical improvements, we are able to compute reliable quantum mechanical results for the systems of current fundamental and technological interest. From the other side, proper parameterization of a simple Hubbard Hamiltonian allows for a sound rationalization of magnetic gaps in terms of basic physical effects, unraveling the role played by electron delocalization, Coulomb repulsion, and effective exchange in tuning the magnetic character of the ground state. As case studies, we have chosen three prototypical organic tri-radicals, namely, 1,3,5-trimethylenebenzene, 1,3,5-tridehydrobenzene, and 1,2,3-tridehydrobenzene, which differ either for geometric or electronic structure. After discussing the differences among the three species and their consequences on the magnetic properties in terms of the simple model mentioned above, accurate and reliable values for the energy gap between the lowest quartet and doublet states are computed by means of the so-called difference dedicated configuration interaction (DDCI) technique, and the final results are discussed and compared to both available experimental and computational estimates.

Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes

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

Song, Suhwan; Kim, Min-Cheol; Sim, Eunji

2017-05-01

All-electron fixed-node diffusion Monte Carlo provides benchmark spin gaps for four Fe(II) octahedral complexes. Standard quantum chemical methods (semilocal DFT and CCSD(T)) fail badly for the energy difference between their high- and low-spin states. Density-corrected DFT is both significantly more accurate and reliable and yields a consistent prediction for the Fe-Porphyrin complex

Quantum algorithm for energy matching in hard optimization problems

NASA Astrophysics Data System (ADS)

Baldwin, C. L.; Laumann, C. R.

2018-06-01

We consider the ability of local quantum dynamics to solve the "energy-matching" problem: given an instance of a classical optimization problem and a low-energy state, find another macroscopically distinct low-energy state. Energy matching is difficult in rugged optimization landscapes, as the given state provides little information about the distant topography. Here, we show that the introduction of quantum dynamics can provide a speedup over classical algorithms in a large class of hard optimization problems. Tunneling allows the system to explore the optimization landscape while approximately conserving the classical energy, even in the presence of large barriers. Specifically, we study energy matching in the random p -spin model of spin-glass theory. Using perturbation theory and exact diagonalization, we show that introducing a transverse field leads to three sharp dynamical phases, only one of which solves the matching problem: (1) a small-field "trapped" phase, in which tunneling is too weak for the system to escape the vicinity of the initial state; (2) a large-field "excited" phase, in which the field excites the system into high-energy states, effectively forgetting the initial energy; and (3) the intermediate "tunneling" phase, in which the system succeeds at energy matching. The rate at which distant states are found in the tunneling phase, although exponentially slow in system size, is exponentially faster than classical search algorithms.

A Note on the Propagation of Quantized Vortex Rings Through a Quantum Turbulence Tangle: Energy Transport or Energy Dissipation?

NASA Astrophysics Data System (ADS)

Laurie, Jason; Baggaley, Andrew W.

2015-07-01

We investigate quantum vortex ring dynamics at scales smaller than the inter-vortex spacing in quantum turbulence. Through geometrical arguments and high-resolution numerical simulations, we examine the validity of simple estimates for the mean free path and the structure of vortex rings post-reconnection. We find that a large proportion of vortex rings remain coherent objects where approximately of their energy is preserved. This leads us to consider the effectiveness of energy transport in turbulent tangles. Moreover, we show that in low density tangles, appropriate for the ultra-quantum regime, ring emission cannot be ruled out as an important mechanism for energy dissipation. However at higher vortex line densities, typically associated with the quasi-classical regime, loop emission is expected to make a negligible contribution to energy dissipation, even allowing for the fact that our work shows rings can survive multiple reconnection events. Hence the Kelvin wave cascade seems the most plausible mechanism leading to energy dissipation.

Designing artificial 2D crystals with site and size controlled quantum dots.

PubMed

Xie, Xuejun; Kang, Jiahao; Cao, Wei; Chu, Jae Hwan; Gong, Yongji; Ajayan, Pulickel M; Banerjee, Kaustav

2017-08-30

Ordered arrays of quantum dots in two-dimensional (2D) materials would make promising optical materials, but their assembly could prove challenging. Here we demonstrate a scalable, site and size controlled fabrication of quantum dots in monolayer molybdenum disulfide (MoS 2 ), and quantum dot arrays with nanometer-scale spatial density by focused electron beam irradiation induced local 2H to 1T phase change in MoS 2 . By designing the quantum dots in a 2D superlattice, we show that new energy bands form where the new band gap can be controlled by the size and pitch of the quantum dots in the superlattice. The band gap can be tuned from 1.81 eV to 1.42 eV without loss of its photoluminescence performance, which provides new directions for fabricating lasers with designed wavelengths. Our work constitutes a photoresist-free, top-down method to create large-area quantum dot arrays with nanometer-scale spatial density that allow the quantum dots to interfere with each other and create artificial crystals. This technique opens up new pathways for fabricating light emitting devices with 2D materials at desired wavelengths. This demonstration can also enable the assembly of large scale quantum information systems and open up new avenues for the design of artificial 2D materials.

Testing quantum chromodynamics in electron-positron annihilation at high energies. [Review

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

Brown, L.S.

1979-01-01

Various measures of the distribution of hadronic energy produced in high energy electron-positron annihilation provide precise tests of the promising fundamental theory of hadronic physics, quantum chromodynamics. Recent work at the University of Washington on such energy cross sections is reviewed.

Intermediate band solar cell with extreme broadband spectrum quantum efficiency.

PubMed

Datas, A; López, E; Ramiro, I; Antolín, E; Martí, A; Luque, A; Tamaki, R; Shoji, Y; Sogabe, T; Okada, Y

2015-04-17

We report, for the first time, about an intermediate band solar cell implemented with InAs/AlGaAs quantum dots whose photoresponse expands from 250 to ∼6000  nm. To our knowledge, this is the broadest quantum efficiency reported to date for a solar cell and demonstrates that the intermediate band solar cell is capable of producing photocurrent when illuminated with photons whose energy equals the energy of the lowest band gap. We show experimental evidence indicating that this result is in agreement with the theory of the intermediate band solar cell, according to which the generation recombination between the intermediate band and the valence band makes this photocurrent detectable.

Review of the inverse scattering problem at fixed energy in quantum mechanics

NASA Technical Reports Server (NTRS)

Sabatier, P. C.

1972-01-01

Methods of solution of the inverse scattering problem at fixed energy in quantum mechanics are presented. Scattering experiments of a beam of particles at a nonrelativisitic energy by a target made up of particles are analyzed. The Schroedinger equation is used to develop the quantum mechanical description of the system and one of several functions depending on the relative distance of the particles. The inverse problem is the construction of the potentials from experimental measurements.

Development of an Abort Gap Monitor for High-Energy Proton Rings

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

Beche, J.-F.; Byrd, J.; De Santis, S.

2004-11-10

The fill pattern in proton synchrotrons usually features an empty gap, longer than the abort kicker raise time, for machine protection. This gap is referred to as the 'abort gap', and any particles, which may accumulate in it due to injection errors and diffusion between RF buckets, would be lost inside the ring, rather than in the beam dump, during the kicker firing. In large proton rings, due to the high energies involved, it is vital to monitor the build up of charges in the abort gap with a high sensitivity. We present a study of an abort gap monitormore » based on a photomultiplier with a gated microchannel plate, which would allow for detecting low charge densities by monitoring the synchrotron radiation emitted. We show results of beam test experiments at the Advanced Light Source using a Hamamatsu 5916U MCP-PMT and compare them to the specifications for the Large Hadron Collider.« less

Development of an abort gap monitor for high-energy proton rings

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

Beche, Jean-Francois; Byrd, John; De Santis, Stefano

2004-05-03

The fill pattern in proton synchrotrons usually features an empty gap, longer than the abort kicker raise time, for machine protection. This gap is referred to as the ''abort gap'' and any particles, which may accumulate in it due to injection errors and diffusion between RF buckets, would be lost inside the ring, rather than in the beam dump, during the kicker firing. In large proton rings, due to the high energies involved, it is vital to monitor the build up of charges in the abort gap with a high sensitivity. We present a study of an abort gap monitormore » based on a photomultiplier with a gated microchannel plate, which would allow for detecting low charge densities by monitoring the synchrotron radiation emitted. We show results of beam test experiments at the Advanced Light Source using a Hamamatsu 5916U MCP-PMT and compare them to the specifications for the Large Hadron Collider« less

Aggregating quantum repeaters for the quantum internet

NASA Astrophysics Data System (ADS)

Azuma, Koji; Kato, Go

2017-09-01

The quantum internet holds promise for accomplishing quantum teleportation and unconditionally secure communication freely between arbitrary clients all over the globe, as well as the simulation of quantum many-body systems. For such a quantum internet protocol, a general fundamental upper bound on the obtainable entanglement or secret key has been derived [K. Azuma, A. Mizutani, and H.-K. Lo, Nat. Commun. 7, 13523 (2016), 10.1038/ncomms13523]. Here we consider its converse problem. In particular, we present a universal protocol constructible from any given quantum network, which is based on running quantum repeater schemes in parallel over the network. For arbitrary lossy optical channel networks, our protocol has no scaling gap with the upper bound, even based on existing quantum repeater schemes. In an asymptotic limit, our protocol works as an optimal entanglement or secret-key distribution over any quantum network composed of practical channels such as erasure channels, dephasing channels, bosonic quantum amplifier channels, and lossy optical channels.

Experiments on Quantum Hall Topological Phases in Ultra Low Temperatures

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

Du, Rui-Rui

2015-02-14

This project is to cool electrons in semiconductors to extremely low temperatures and to study new states of matter formed by low-dimensional electrons (or holes). At such low temperatures (and with an intense magnetic field), electronic behavior differs completely from ordinary ones observed at room temperatures or regular low temperature. Studies of electrons at such low temperatures would open the door for fundamental discoveries in condensed matter physics. Present studies have been focused on topological phases in the fractional quantum Hall effect in GaAs/AlGaAs semiconductor heterostructures, and the newly discovered (by this group) quantum spin Hall effect in InAs/GaSb materials.more » This project consists of the following components: 1) Development of efficient sample cooling techniques and electron thermometry: Our goal is to reach 1 mK electron temperature and reasonable determination of electron temperature; 2) Experiments at ultra-low temperatures: Our goal is to understand the energy scale of competing quantum phases, by measuring the temperature-dependence of transport features. Focus will be placed on such issues as the energy gap of the 5/2 state, and those of 12/5 (and possible 13/5); resistive signature of instability near 1/2 at ultra-low temperatures; 3) Measurement of the 5/2 gaps in the limit of small or large Zeeman energies: Our goal is to gain physics insight of 5/2 state at limiting experimental parameters, especially those properties concerning the spin polarization; 4) Experiments on tuning the electron-electron interaction in a screened quantum Hall system: Our goal is to gain understanding of the formation of paired fractional quantum Hall state as the interaction pseudo-potential is being modified by a nearby screening electron layer; 5) Experiments on the quantized helical edge states under a strong magnetic field and ultralow temperatures: our goal is to investigate both the bulk and edge states in a quantum spin Hall insulator

Quantum matter bounce with a dark energy expanding phase

NASA Astrophysics Data System (ADS)

Colin, Samuel; Pinto-Neto, Nelson

2017-09-01

Analyzing quantum cosmological scenarios containing one scalar field with exponential potential, we have obtained a universe model which realizes a classical dust contraction from very large scales, the initial repeller of the model, and moves to a stiff matter contraction near the singularity, which is avoided due to a quantum bounce. The universe is then launched in a stiff matter expanding phase, which then moves to a dark energy era, finally returning to the dust expanding phase, the final attractor of the model. Hence, one has obtained a nonsingular cosmological model where a single scalar field can describe both the matter contracting phase of a bouncing model, necessary to give an almost scale invariant spectrum of scalar cosmological perturbations, and a transient expanding dark energy phase. As the universe is necessarily dust dominated in the far past, usual adiabatic vacuum initial conditions can be easily imposed in this era, avoiding the usual issues appearing when dark energy is considered in bouncing models.

Calculation of Host-Guest Binding Affinities Using a Quantum-Mechanical Energy Model.

PubMed

Muddana, Hari S; Gilson, Michael K

2012-06-12

The prediction of protein-ligand binding affinities is of central interest in computer-aided drug discovery, but it is still difficult to achieve a high degree of accuracy. Recent studies suggesting that available force fields may be a key source of error motivate the present study, which reports the first mining minima (M2) binding affinity calculations based on a quantum mechanical energy model, rather than an empirical force field. We apply a semi-empirical quantum-mechanical energy function, PM6-DH+, coupled with the COSMO solvation model, to 29 host-guest systems with a wide range of measured binding affinities. After correction for a systematic error, which appears to derive from the treatment of polar solvation, the computed absolute binding affinities agree well with experimental measurements, with a mean error 1.6 kcal/mol and a correlation coefficient of 0.91. These calculations also delineate the contributions of various energy components, including solute energy, configurational entropy, and solvation free energy, to the binding free energies of these host-guest complexes. Comparison with our previous calculations, which used empirical force fields, point to significant differences in both the energetic and entropic components of the binding free energy. The present study demonstrates successful combination of a quantum mechanical Hamiltonian with the M2 affinity method.

Ground-state-entanglement bound for quantum energy teleportation of general spin-chain models

NASA Astrophysics Data System (ADS)

Hotta, Masahiro

2013-03-01

Many-body quantum systems in the ground states have zero-point energy due to the uncertainty relation. In many cases, the system in the ground state accompanies spatially entangled energy density fluctuation via the noncommutativity of the energy density operators, though the total energy takes a fixed value, i.e., the lowest eigenvalue of the Hamiltonian. Quantum energy teleportation (QET) is a protocol for the extraction of the zero-point energy out of one subsystem using information of a remote measurement of another subsystem. From an operational viewpoint of protocol users, QET can be regarded as an effective rapid energy transportation without breaking all physical laws, including causality and local energy conservation. In the protocol, the ground-state entanglement plays a crucial role. In this paper, we show analytically for a general class of spin-chain systems that the entanglement entropy is lower bounded by a positive quadratic function of the teleported energy between the regions of a QET protocol. This supports a general conjecture that ground-state entanglement is an evident physical resource for energy transportation in the context of QET. The result may also deepen our understanding of the energy density fluctuation in condensed-matter systems from a perspective of quantum information theory.

Thermally activated delayed photoluminescence from pyrenyl-functionalized CdSe quantum dots

NASA Astrophysics Data System (ADS)

Mongin, Cédric; Moroz, Pavel; Zamkov, Mikhail; Castellano, Felix N.

2018-02-01

The generation and transfer of triplet excitons across semiconductor nanomaterial-molecular interfaces will play an important role in emerging photonic and optoelectronic technologies, and understanding the rules that govern such phenomena is essential. The ability to cooperatively merge the photophysical properties of semiconductor quantum dots with those of well-understood and inexpensive molecular chromophores is therefore paramount. Here we show that 1-pyrenecarboxylic acid-functionalized CdSe quantum dots undergo thermally activated delayed photoluminescence. This phenomenon results from a near quantitative triplet-triplet energy transfer from the nanocrystals to 1-pyrenecarboxylic acid, producing a molecular triplet-state 'reservoir' that thermally repopulates the photoluminescent state of CdSe through endothermic reverse triplet-triplet energy transfer. The photoluminescence properties are systematically and predictably tuned through variation of the quantum dot-molecule energy gap, temperature and the triplet-excited-state lifetime of the molecular adsorbate. The concepts developed are likely to be applicable to semiconductor nanocrystals interfaced with molecular chromophores, enabling potential applications of their combined excited states.

Description of quantum coherence in thermodynamic processes requires constraints beyond free energy.

PubMed

Lostaglio, Matteo; Jennings, David; Rudolph, Terry

2015-03-10

Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement.

Description of quantum coherence in thermodynamic processes requires constraints beyond free energy

NASA Astrophysics Data System (ADS)

Lostaglio, Matteo; Jennings, David; Rudolph, Terry

2015-03-01

Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement.

Coherent Optical Control of Electronic Excitations in Wide-Band-Gap Semiconductor Structures

DTIC Science & Technology

2015-05-01

ABSTRACT The main objective of this research is to study coherent quantum effects, such as Rabi oscillations in optical spectra of wide- band-gap...field corresponds to the rotation of the B vector about the pseudo field vector, Ω, with components determined by the effective Rabi frequency ( )e...to examine coherent quantum effects, such as Rabi oscillations and quantum entanglement in optical spectra of wide-band-gap materials, and to

FIBER AND INTEGRATED OPTICS: Problems involved in the profiling of quantum wells and barriers for optoelectronic applications

NASA Astrophysics Data System (ADS)

Eliseev, P. G.; Zakhar'ev, B. N.

1992-10-01

Some important problems concerning the profiling of the potential energy in quantum-well lasers are discussed. The goals being sought are to introduce a relative shift of the levels of localized states, to introduce an energy gap, and to reduce the transmission of barriers without increasing their height.

Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

NASA Astrophysics Data System (ADS)

El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

2018-03-01

In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

Resonant electronic excitation energy transfer by exchange mechanism in the quantum dot system

NASA Astrophysics Data System (ADS)

Chikalova-Luzina, O. P.; Samosvat, D. M.; Vyatkin, V. M.; Zegrya, G. G.

2017-11-01

A microscopic theory of nonradiative resonance energy transfer between spherical A3B5 semiconductor quantum dots by the exchange mechanism is suggested. The interdot Coulomb interaction is taken into consideration. It is assumed that the quantum dot-donor and the quantum dot-acceptor are made from the same A3B5 compound and are embedded in the matrix of another material that produces potential barriers for electrons and holes. The dependences of the energy transfer rate on the quantum-dot system parameters are found in the frame of the Kane model that provides the most adequate description of the real spectra of A3B5 semiconductors. The analytical treatment is carried out with using the density matrix method, which enabled us to perform an energy transfer analysis both in the weak-interaction approximation and in the strong-interaction approximation. The numerical calculations showed the saturation of the energy transfer rate at the distances between the donor and the acceptor approaching the contact one. The contributions of the exchange and direct Coulomb intractions can be of the same order at the small distances and can have the same value in the saturation range.

Comparison of energy flows in deep inelastic scattering events with and without a large rapidity gap

NASA Astrophysics Data System (ADS)

Derrick, M.; Krakauer, D.; Magill, S.; Musgrave, B.; Repond, J.; Schlereth, J.; Stanek, R.; Talaga, R. L.; Thron, J.; Arzarello, F.; Ayad, R.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Bruni, P.; Romeo, G. Cara; Castellini, G.; Chiarini, M.; Cifarelli, L.; Cindolo, F.; Ciralli, F.; Contin, A.; D'Auria, S.; Del Papa, C.; Frasconi, F.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Maccarrone, G.; Margotti, A.; Massam, T.; Nania, R.; Nemoz, C.; Palmonari, F.; Polini, A.; Sartorelli, G.; Timellini, R.; Garcia, Y. Zamora; Zichichi, A.; Bargende, A.; Crittenden, J.; Desch, K.; Diekmann, B.; Doeker, T.; Feld, L.; Frey, A.; Geerts, M.; Geitz, G.; Grothe, M.; Hartmann, H.; Haun, D.; Heinloth, K.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Mari, S. M.; Mass, A.; Mengel, S.; Mollen, J.; Paul, E.; Rembser, Ch.; Schattevoy, R.; Schneider, J.-L.; Schramm, D.; Stamm, J.; Wedemeyer, R.; Campbell-Robson, S.; Cassidy, A.; Dyce, N.; Foster, B.; George, S.; Gilmore, R.; Heath, G. P.; Heath, H. F.; Llewellyn, T. J.; Morgado, C. J. S.; Norman, D. J. P.; O'Mara, J. A.; Tapper, R. J.; Wilson, S. S.; Yoshida, R.; Rau, R. R.; Arneodo, M.; Iannotti, L.; Schioppa, M.; Susinno, G.; Bernstein, A.; Caldwell, A.; Gialas, I.; Parsons, J. A.; Ritz, S.; Sciulli, F.; Straub, P. B.; Wai, L.; Yang, S.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Piotrzkowski, K.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Eskreys, K.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajaç, J.; Kȩdzierski, T.; Kotański, A.; Przybycień, M.; Bauerdick, L. A. T.; Behrens, U.; Bienlein, J. K.; Böttcher, S.; Coldewey, C.; Drews, G.; Flasiński, M.; Gilkinson, D. J.; Göttlicher, P.; Gutjahr, B.; Haas, T.; Hagge, L.; Hain, W.; Hasell, D.; Heßling, H.; Hultschig, H.; Iga, Y.; Joos, P.; Kasemann, M.; Klanner, R.; Koch, W.; Köpke, L.; Kötz, U.; Kowalski, H.; Kröger, W.; Krüger, J.; Labs, J.; Ladage, A.; Löhr, B.; Löwe, M.; Lüke, D.; Mainusch, J.; Mańczak, O.; Ng, J. S. T.; Nickel, S.; Notz, D.; Ohrenberg, K.; Roco, M.; Rohde, M.; Roldán, J.; Schneekloth, U.; Schroeder, J.; Schulz, W.; Selonke, F.; Stiliaris, E.; Voß, T.; Westphal, D.; Wolf, G.; Youngman, C.; Grabosch, H. J.; Leich, A.; Meyer, A.; Rethfeldt, C.; Schlenstedt, S.; Barbagli, G.; Pelfer, P.; Anzivino, G.; De Pasquale, S.; Qian, S.; Votano, L.; Bamberger, A.; Freidhof, A.; Poser, T.; Söldner-Rembold, S.; Theisen, G.; Trefzger, T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Fleck, I.; Forbes, J. R.; Jamieson, V. A.; Raine, C.; Saxon, D. H.; Stavrianakou, M.; Wilson, A. S.; Dannemann, A.; Holm, U.; Horstmann, D.; Kammerlocher, H.; Krebs, B.; Neumann, T.; Sinkus, R.; Wick, K.; Badura, E.; Burow, B. D.; Fürtjes, A.; Lohrmann, E.; Milewski, J.; Nakahata, M.; Pavel, N.; Poelz, G.; Schott, W.; Terron, J.; Zetsche, F.; Bacon, T. C.; Beuselinck, R.; Butterworth, I.; Gallo, E.; Harris, V. L.; Hung, B. H.; Long, K. R.; Miller, D. B.; Morawitz, P. P. O.; Prinias, A.; Sedgbeer, J. K.; Whitfield, A. F.; Mallik, U.; McCliment, E.; Wang, M. Z.; Zhang, Y.; Cloth, P.; Filges, D.; An, S. H.; Hong, S. M.; Kim, C. O.; Kim, T. Y.; Nam, S. W.; Park, S. K.; Suh, M. H.; Yon, S. H.; Imlay, R.; Kartik, S.; Kim, H.-J.; McNeil, R. R.; Metcalf, W.; Nadendla, V. K.; Barreiro, F.; Cases, G.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; del Peso, J.; Puga, J.; de Trocóniz, J. F.; Ikraiam, F.; Mayer, J. K.; Smith, G. R.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Matthews, C. G.; Mitchell, J. W.; Patel, P. M.; Sinclair, L. E.; Stairs, D. G.; Laurent, M. St.; Ullmann, R.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Gladilin, L. K.; Golubkov, Y. A.; Kobrin, V. D.; Kuzmin, V. A.; Proskuryakov, A. S.; Savin, A. A.; Shcheglova, L. M.; Solomin, A. N.; Zotov, N. P.; Bentvelsen, S.; Botje, M.; Chlebana, F.; Dake, A.; Engelen, J.; de Jong, P.; de Kamps, M.; Kooijman, P.; Kruse, A.; O'Dell, V.; Tenner, A.; Tiecke, H.; Verkerke, W.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; van Woudenberg, R.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Honscheid, K.; Li, C.; Ling, T. Y.; McLean, K. W.; Murray, W. N.; Park, I. H.; Romanowski, T. A.; Seidlein, R.; Bailey, D. S.; Blair, G. A.; Byrne, A.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Daniels, D.; Devenish, R. C. E.; Harnew, N.; Lancaster, M.; Luffman, P. E.; McFall, J.; Nath, C.; Quadt, A.; Uijterwaal, H.; Walczak, R.; Wilson, F. F.; Yip, T.; Abbiendi, G.; Bertolin, A.; Brugnera, R.; Carlin, R.; Dal Corso, F.; De Giorgi, M.; Dosselli, U.; Gasparini, F.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Butterworth, J. M.; Feild, R. G.; Oh, B. Y.; Whitmore, J. J.; D'Agostini, G.; Iori, M.; Marini, G.; Mattioli, M.; Nigro, A.; Hart, J. C.; McCubbin, N. A.; Prytz, K.; Shah, T. P.; Short, T. L.; Barberis, E.; Cartiglia, N.; Dubbs, T.; Heusch, C.; Van Hook, M.; Hubbard, B.; Lockman, W.; Sadrozinski, H. F.-W.; Seiden, A.; Biltzinger, J.; Seifert, R. J.; Walenta, A. H.; Zech, G.; Abramowicz, H.; Dagan, S.; Levy, A.; Hasegawa, T.; Hazumi, M.; Ishii, T.; Kuze, M.; Mine, S.; Nagasawa, Y.; Nagira, T.; Nakao, M.; Suzuki, I.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Chiba, M.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Nagayama, S.; Nakamitsu, Y.; Cirio, R.; Costa, M.; Ferrero, M. I.; Lamberti, L.; Maselli, S.; Peroni, C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Bandyopadhyay, D.; Benard, F.; Brkic, M.; Crombie, M. B.; Gingrich, D. M.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Sampson, C. R.; Teuscher, R. J.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. S.; Shulman, J.; Blankenship, K.; Kochocki, J.; Lu, B.; Mo, L. W.; Bogusz, W.; Charchuła, K.; Ciborowski, J.; Gajewski, J.; Grzelak, G.; Kasprzak, M.; Krzyżanowski, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Żarnecki, A. F.; Adamus, M.; Eisenberg, Y.; Glasman, C.; Karshon, U.; Revel, D.; Shapira, A.; Ali, I.; Behrens, B.; Dasu, S.; Fordham, C.; Foudas, C.; Goussiou, A.; Loveless, R. J.; Reeder, D. D.; Silverstein, S.; Smith, W. H.; Tsurugai, T.; Bhadra, S.; Frisken, W. R.; Furutani, K. M.; ZEUS Collaboration

1994-11-01

Energy flows in deep inelastic electron-proton scattering are investigated at a centre-of-mass energy of 269 GeV for the range Q2 ≥ 10 GeV 2 using the ZEUS detector. A comparison is made between events with and without a large rapidity gap between the hadronic system and the proton direction. The energy flows, corrected for detector acceptance and resolution, are shown for these two classes of events in both the HERA laboratory frame and the Breit frame. From the differences in the shapes of these energy flows we conclude that QCD radiation is suppressed in the large-rapidity-gap eents compared to the events without a large rapidity gap.

Energy efficient quantum machines

NASA Astrophysics Data System (ADS)

Abah, Obinna; Lutz, Eric

2017-05-01

We investigate the performance of a quantum thermal machine operating in finite time based on shortcut-to-adiabaticity techniques. We compute efficiency and power for a paradigmatic harmonic quantum Otto engine by taking the energetic cost of the shortcut driving explicitly into account. We demonstrate that shortcut-to-adiabaticity machines outperform conventional ones for fast cycles. We further derive generic upper bounds on both quantities, valid for any heat engine cycle, using the notion of quantum speed limit for driven systems. We establish that these quantum bounds are tighter than those stemming from the second law of thermodynamics.

Public perceptions and information gaps in solar energy in Texas

NASA Astrophysics Data System (ADS)

Rai, Varun; Beck, Ariane L.

2015-07-01

Studying the behavioral aspects of the individual decision-making process is important in identifying and addressing barriers in the adoption of residential solar photovoltaic (PV). However, there is little systematic research focusing on these aspects of residential PV in Texas, an important, large, populous state, with a range of challenges in the electricity sector including increasing demand, shrinking reserve margins, constrained water supply, and challenging emissions reduction targets under proposed federal regulations. This paper aims to address this gap through an empirical investigation of a new survey-based dataset collected in Texas on solar energy perceptions and behavior. The results of this analysis offer insights into the perceptions and motivations influencing intentions and behavior toward solar energy in a relatively untapped market and help identify information gaps that could be targeted to alleviate key barriers to adopting solar, thereby enabling significant emissions reductions in the residential sector in Texas.

Quantum vacuum energy in general relativity

NASA Astrophysics Data System (ADS)

Henke, Christian

2018-02-01

The paper deals with the scale discrepancy between the observed vacuum energy in cosmology and the theoretical quantum vacuum energy (cosmological constant problem). Here, we demonstrate that Einstein's equation and an analogy to particle physics leads to the first physical justification of the so-called fine-tuning problem. This fine-tuning could be automatically satisfied with the variable cosmological term Λ (a)=Λ_0+Λ_1 a^{-(4-ɛ)}, 0 < ɛ ≪ 1, where a is the scale factor. As a side effect of our solution of the cosmological constant problem, the dynamical part of the cosmological term generates an attractive force and solves the missing mass problem of dark matter.

Intrinsic optical confinement for ultrathin InAsN quantum well superlattices

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

Sakri, A.; Robert, C.; Pedesseau, L.

We study energy-band engineering with InAsN monolayer in GaAs/GaP quantum well structure. A tight-binding calculation indicates that both type I alignment along with direct band-gap behavior can be obtained. We show that the optical transitions are less sensitive to the position of the probe.

Conversion efficiency of an energy harvester based on resonant tunneling through quantum dots with heat leakage.

PubMed

Kano, Shinya; Fujii, Minoru

2017-03-03

We study the conversion efficiency of an energy harvester based on resonant tunneling through quantum dots with heat leakage. Heat leakage current from a hot electrode to a cold electrode is taken into account in the analysis of the harvester operation. Modeling of electrical output indicates that a maximum heat leakage current is not negligible because it is larger than that of the heat current harvested into electrical power. A reduction of heat leakage is required in this energy harvester in order to obtain efficient heat-to-electrical conversion. Multiple energy levels of a quantum dot can increase the output power of the harvester. Heavily doped colloidal semiconductor quantum dots are a possible candidate for a quantum-dot monolayer in the energy harvester to reduce heat leakage, scaling down device size, and increasing electrical output via multiple discrete energy levels.

Spectrometer of high energy gamma quantums

NASA Technical Reports Server (NTRS)

Blokhintsev, I. D.; Melioranskiy, A. S.; Kalinkin, L. F.; Nagornykh, Y. I.; Pryakhin, Y. A.

1979-01-01

A detailed description of the apparatus GG-2M is given. The spectrometer contains a Cerenkov and scintillation (including anticoincidence) counter. The energies of the gamma quantums are measured by a shower calorimeter, in which scintillation counters are used in the capacity of detectors. Results are given for tuning the device on mu-mesons of cosmic rays. The data of physical tuning allow more reliable interpretation of the results of measurements which are received on the satellites.

The energy gap in a-Si 1 - xC g: H alloys

NASA Astrophysics Data System (ADS)

Valladares, Ariel A.; Valladares, Alexander; Enrique Sansores, L.; Nelis, Mary Ann Me

1997-02-01

The electronic structure of amorphous tetrahedral clusters of the type a-Si 1 - xC g: H are studied using the pseudopotential SCF Hartree-Fock approximation. The reduced energy gap isgiven by Egr( x) - 1 + 0.84 x for x ⩽ 0.5, whereas experimentally Egr( x) = 1 + 0.96 x. For x ⩾ 0.5 the dip in the gap value reported experimentally is verified.

Description of quantum coherence in thermodynamic processes requires constraints beyond free energy

PubMed Central

Lostaglio, Matteo; Jennings, David; Rudolph, Terry

2015-01-01

Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic constraints that naturally extend the existing ones. These asymmetry relations reveal that the traditional Szilárd engine argument does not extend automatically to quantum coherences, but instead only relational coherences in a multipartite scenario can contribute to thermodynamic work. We find that coherence transformations are always irreversible. Our results also reveal additional structural parallels between thermodynamics and the theory of entanglement. PMID:25754774

Observation of a well-defined hybridization gap and in-gap states on the SmB6 (001) surface

NASA Astrophysics Data System (ADS)

Sun, Zhixiang; Maldonado, Ana; Paz, Wendel S.; Inosov, Dmytro S.; Schnyder, Andreas P.; Palacios, J. J.; Shitsevalova, Natalya Yu.; Filipov, Vladimir B.; Wahl, Peter

2018-06-01

The rise of topology in condensed-matter physics has generated strong interest in identifying novel quantum materials in which topological protection is driven by electronic correlations. Samarium hexaboride is a Kondo insulator for which it has been proposed that a band inversion between 5 d and 4 f bands gives rise to topologically protected surface states. However, unambiguous proof of the existence and topological nature of these surface states is still missing, and its low-energy electronic structure is still not fully established. Here we present a study of samarium hexaboride by ultralow-temperature scanning tunneling microscopy and spectroscopy. We obtain clear atomically resolved topographic images of the sample surface. Our tunneling spectra reveal signatures of a hybridization gap with a size of about 8 meV and with a reduction of the differential conductance inside the gap by almost half, and surprisingly, several strong resonances below the Fermi level. The spatial variations of the energy of the resonances point toward a microscopic variation of the electronic states by the different surface terminations. High-resolution tunneling spectra acquired at 100 mK reveal a splitting of the Kondo resonance, possibly due to the crystal electric field.

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

NASA Technical Reports Server (NTRS)

Smelyanskiy, V. N.; Toussaint, U. V.; Timucin, D. A.

2002-01-01

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum excitation gap. g min, = O(n 2(exp -n/2), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to 'the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

NASA Technical Reports Server (NTRS)

Smelyanskiy, Vadius; vonToussaint, Udo V.; Timucin, Dogan A.; Clancy, Daniel (Technical Monitor)

2002-01-01

We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

Quantum and Multidimensional Explanations in a Neurobiological Context of Mind.

PubMed

Korf, Jakob

2015-08-01

This article examines the possible relevance of physical-mathematical multidimensional or quantum concepts aiming at understanding the (human) mind in a neurobiological context. Some typical features of the quantum and multidimensional concepts are briefly introduced, including entanglement, superposition, holonomic, and quantum field theories. Next, we consider neurobiological principles, such as the brain and its emerging (physical) mind, evolutionary and ontological origins, entropy, syntropy/neg-entropy, causation, and brain energy metabolism. In many biological processes, including biochemical conversions, protein folding, and sensory perception, the ubiquitous involvement of quantum mechanisms is well recognized. Quantum and multidimensional approaches might be expected to help describe and model both brain and mental processes, but an understanding of their direct involvement in mental activity, that is, without mediation by molecular processes, remains elusive. More work has to be done to bridge the gap between current neurobiological and physical-mathematical concepts with their associated quantum-mind theories. © The Author(s) 2014.

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

PubMed

Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

2015-09-01

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

Quantum diffraction and shielding effects on the low-energy electron-ion bremsstrahlung in two-component semiclassical plasmas

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

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590

2015-10-15

The quantum diffraction and shielding effects on the low-energy bremsstrahlung process are investigated in two-component semiclassical plasmas. The impact-parameter analysis with the micropotential taking into account the quantum diffraction and shielding effects is employed to obtain the electron-ion bremsstrahlung radiation cross section as a function of the de Broglie wavelength, density parameter, impact parameter, photon energy, and projectile energy. The result shows that the influence of quantum diffraction and shielding strongly suppresses the bremsstrahlung radiation spectrum in semiclassical plasmas. It is found that the quantum diffraction and shielding effects have broaden the photon emission domain. It is also found thatmore » the photon emission domain is almost independent of the radiation photon energy. In addition, it is found that the influence of quantum diffraction and shielding on the bremsstrahlung spectrum decreases with an increase of the projectile energy. The density effect on the electron-ion bremsstrahlung cross section is also discussed.« less

Quantum Tunneling Contribution for the Activation Energy in Microwave-Induced Reactions.

PubMed

Kuhnen, Carlos A; Dall'Oglio, Evandro L; de Sousa, Paulo T

2017-08-03

In this study, a quantum approach is presented to explain microwave-enhanced reaction rates by considering the tunneling effects in chemical reactions. In the Arrhenius equation, the part of the Hamiltonian relative to the interaction energy during tunneling, between the particle that tunnels and the electrical field defined in the medium, whose spatial component is specified by its rms value, is taken into account. An approximate evaluation of the interaction energy leads to a linear dependence of the effective activation energy on the applied field. The evaluation of the rms value of the field for pure liquids and reaction mixtures, through their known dielectric properties, leads to an appreciable reduction in the activation energies for the proton transfer process in these liquids. The results indicate the need to move toward the use of more refined methods of modern quantum chemistry to calculate more accurately field-induced reaction rates and effective activation energies.

Probing the energy reactance with adiabatically driven quantum dots

NASA Astrophysics Data System (ADS)

Ludovico, María Florencia; Arrachea, Liliana; Moskalets, Michael; Sánchez, David

2018-02-01

The tunneling Hamiltonian describes a particle transfer from one region to another. Although there is no particle storage in the tunneling region itself, it has an associated amount of energy. The corresponding energy flux was named reactance since, such as an electrical reactance, it manifests itself in time-dependent transport only. We show here that the existence of the energy reactance leads to the universal response of a mesoscopic thermometer, a floating contact coupled to an adiabatically driven quantum dot.

Electrostatically confined quantum rings in bilayer graphene.

PubMed

Zarenia, M; Pereira, J M; Peeters, F M; Farias, G A

2009-12-01

We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B(0)) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B(0) --> -B(0) transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.

External electric field effect on the binding energy of a hydrogenic donor impurity in InGaAsP/InP concentric double quantum rings

NASA Astrophysics Data System (ADS)

Hu, Min; Wang, Hailong; Gong, Qian; Wang, Shumin

2018-04-01

Within the framework of effective-mass envelope-function theory, the ground state binding energy of a hydrogenic donor impurity is calculated in the InGaAsP/InP concentric double quantum rings (CDQRs) using the plane wave method. The effects of geometry, impurity position, external electric field and alloy composition on binding energy are considered. It is shown that the peak value of the binding energy appears in two rings with large gap as the donor impurity moves along the radial direction. The binding energy reaches the peak value at the center of ring height when the donor impurity moves along the axial direction. The binding energy shows nonlinear variation with the increase of ring height. With the external electric field applied along the z-axis, the binding energy of the donor impurity located at zi ≥ 0 decreases while that located at zi < 0 increases. In addition, the binding energy decreases with increasing Ga composition, but increases with the increasing As composition.

Testing Mylar Multi-Gap Resistive Plate Chambers

NASA Astrophysics Data System (ADS)

Towell, Cecily; EIC PID Consortium Collaboration

2016-09-01

Quantum Chromodynamics (QCD) is the fundamental theory that successfully explains strong force interactions. To continue the effective study of QCD in nuclear structure, plans are being made to construct an Electron Ion Collider (EIC). Part of the preparation for the EIC includes continued detector development to push beyond their current capabilities. This includes Time of Flight (TOF) detectors, which are used for particle identification. Multi-Gap Resistive Plate Chambers (mRPCs) are a type of TOF detector that typically use glass to make small gas gaps within the detector to produce fast signals when a high energy particle goes through the detector. These extremely thin gaps of 0.2mm are key in achieving the excellent timing resolution capability of these detectors. A new mRPC design is being tested with the goal of reaching a timing resolution of 10ps. This design uses sheets of mylar in place of the glass so that the width of the dividers is smaller, thus vastly increasing the number of gas gaps. Multiple versions of this mylar mRPC have been made and tested. The methods for producing these mRPCs and their performance will be discussed. This research was supported by US DOE MENP Grant DE-FG02-03ER41243.

Black hole based quantum computing in labs and in the sky

NASA Astrophysics Data System (ADS)

Dvali, Gia; Panchenko, Mischa

2016-08-01

Analyzing some well established facts, we give a model-independent parameterization of black hole quantum computing in terms of a set of macro and micro quantities and their relations. These include the relations between the extraordinarily-small energy gap of black hole qubits and important time-scales of information-processing, such as, scrambling time and Page's time. We then show, confirming and extending previous results, that other systems of nature with identical quantum informatics features are attractive Bose-Einstein systems at the critical point of quantum phase transition. Here we establish a complete isomorphy between the quantum computational properties of these two systems. In particular, we show that the quantum hair of a critical condensate is strikingly similar to the quantum hair of a black hole. Irrespectively whether one takes the similarity between the two systems as a remarkable coincidence or as a sign of a deeper underlying connection, the following is evident. Black holes are not unique in their way of quantum information processing and we can manufacture black hole based quantum computers in labs by taking advantage of quantum criticality.

Dark energy from primordial inflationary quantum fluctuations.

PubMed

Ringeval, Christophe; Suyama, Teruaki; Takahashi, Tomo; Yamaguchi, Masahide; Yokoyama, Shuichiro

2010-09-17

We show that current cosmic acceleration can be explained by an almost massless scalar field experiencing quantum fluctuations during primordial inflation. Provided its mass does not exceed the Hubble parameter today, this field has been frozen during the cosmological ages to start dominating the Universe only recently. By using supernovae data, completed with baryonic acoustic oscillations from galaxy surveys and cosmic microwave background anisotropies, we infer the energy scale of primordial inflation to be around a few TeV, which implies a negligible tensor-to-scalar ratio of the primordial fluctuations. Moreover, our model suggests that inflation lasted for an extremely long period. Dark energy could therefore be a natural consequence of cosmic inflation close to the electroweak energy scale.

Intrinsic energy localization through discrete gap breathers in one-dimensional diatomic granular crystals.

PubMed

Theocharis, G; Boechler, N; Kevrekidis, P G; Job, S; Porter, Mason A; Daraio, C

2010-11-01

We present a systematic study of the existence and stability of discrete breathers that are spatially localized in the bulk of a one-dimensional chain of compressed elastic beads that interact via Hertzian contact. The chain is diatomic, consisting of a periodic arrangement of heavy and light spherical particles. We examine two families of discrete gap breathers: (1) an unstable discrete gap breather that is centered on a heavy particle and characterized by a symmetric spatial energy profile and (2) a potentially stable discrete gap breather that is centered on a light particle and is characterized by an asymmetric spatial energy profile. We investigate their existence, structure, and stability throughout the band gap of the linear spectrum and classify them into four regimes: a regime near the lower optical band edge of the linear spectrum, a moderately discrete regime, a strongly discrete regime that lies deep within the band gap of the linearized version of the system, and a regime near the upper acoustic band edge. We contrast discrete breathers in anharmonic Fermi-Pasta-Ulam (FPU)-type diatomic chains with those in diatomic granular crystals, which have a tensionless interaction potential between adjacent particles, and note that the asymmetric nature of the tensionless interaction potential can lead to hybrid bulk-surface localized solutions.

Intrinsic energy localization through discrete gap breathers in one-dimensional diatomic granular crystals

NASA Astrophysics Data System (ADS)

Theocharis, G.; Boechler, N.; Kevrekidis, P. G.; Job, S.; Porter, Mason A.; Daraio, C.

2010-11-01

We present a systematic study of the existence and stability of discrete breathers that are spatially localized in the bulk of a one-dimensional chain of compressed elastic beads that interact via Hertzian contact. The chain is diatomic, consisting of a periodic arrangement of heavy and light spherical particles. We examine two families of discrete gap breathers: (1) an unstable discrete gap breather that is centered on a heavy particle and characterized by a symmetric spatial energy profile and (2) a potentially stable discrete gap breather that is centered on a light particle and is characterized by an asymmetric spatial energy profile. We investigate their existence, structure, and stability throughout the band gap of the linear spectrum and classify them into four regimes: a regime near the lower optical band edge of the linear spectrum, a moderately discrete regime, a strongly discrete regime that lies deep within the band gap of the linearized version of the system, and a regime near the upper acoustic band edge. We contrast discrete breathers in anharmonic Fermi-Pasta-Ulam (FPU)-type diatomic chains with those in diatomic granular crystals, which have a tensionless interaction potential between adjacent particles, and note that the asymmetric nature of the tensionless interaction potential can lead to hybrid bulk-surface localized solutions.

Zero-temperature quantum annealing bottlenecks in the spin-glass phase.

PubMed

Knysh, Sergey

2016-08-05

A promising approach to solving hard binary optimization problems is quantum adiabatic annealing in a transverse magnetic field. An instantaneous ground state-initially a symmetric superposition of all possible assignments of N qubits-is closely tracked as it becomes more and more localized near the global minimum of the classical energy. Regions where the energy gap to excited states is small (for instance at the phase transition) are the algorithm's bottlenecks. Here I show how for large problems the complexity becomes dominated by O(log N) bottlenecks inside the spin-glass phase, where the gap scales as a stretched exponential. For smaller N, only the gap at the critical point is relevant, where it scales polynomially, as long as the phase transition is second order. This phenomenon is demonstrated rigorously for the two-pattern Gaussian Hopfield model. Qualitative comparison with the Sherrington-Kirkpatrick model leads to similar conclusions.

A Semimetal Nanowire Rectifier: Balancing Quantum Confinement and Surface Electronegativity.

PubMed

Sanchez-Soares, Alfonso; Greer, James C

2016-12-14

For semimetal nanowires with diameters on the order of 10 nm, a semimetal-to-semiconductor transition is observed due to quantum confinement effects. Quantum confinement in a semimetal lifts the degeneracy of the conduction and valence bands in a "zero" gap semimetal or shifts energy levels with a "negative" overlap to form conduction and valence bands. For semimetal nanowires with diameters less than 10 nm, the band gap energy can be significantly larger than the thermal energy at room temperature resulting in a new class of semiconductors suitable for nanoelectronics. As a nanowire's diameter is reduced, its surface-to-volume ratio increases rapidly leading to an increased impact of surface chemistry on its electronic structure. Energy level shifts to states in the vicinity of the Fermi energy with varying surface electronegativity are shown to be comparable in magnitude to quantum confinement effects arising in nanowires with diameters of a few nanometer; these two effects can counteract one another leading to semimetallic behavior at nanowire cross sections at which confinement effects would otherwise dominate. Abruptly changing the surface terminating species along the length of a nanowire can lead to an abrupt change in the surface electronegativity. This can result in the formation of a semimetal-semiconductor junction within a monomaterial nanowire without impurity doping nor requiring the formation of a heterojunction. Using density functional theory in tandem with a Green's function approach to determine electronic structure and charge transport, respectively, current rectification is calculated for such a junction. Current rectification ratios of the order of 10 3 -10 5 are predicted at applied biases as low as 300 mV. It is concluded that rectification can be achieved at essentially molecular length scales with conventional biasing, while rivaling the performance of macroscopic semiconductor diodes.

Classical simulation of quantum many-body systems

NASA Astrophysics Data System (ADS)

Huang, Yichen

gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance. It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood. Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods. Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a

LASER APPLICATIONS AND OTHER ASPECTS OF QUANTUM ELECTRONICS Nonlinearity, optoelectronic properties, and their correlations for some mixed ternary defect chalcopyrites

NASA Astrophysics Data System (ADS)

Dutta Roy, S.

2010-12-01

The refractive index, optical nonlinearity, lowest energy band gap, and other related parameters of some mixed defect ternary chalcopyrites are calculated using Levine's bond charge model and its modification developed by Samanta et al. for multinary and mixed compounds. The dependence of the band gap energy on the average quantum number, molecular weight, and anion displacement parameter is shown for the first time, which will be very useful for designing various optoelectronic and nonlinear laser devices.

Partitioning dynamic electron correlation energy: Viewing Møller-Plesset correlation energies through Interacting Quantum Atom (IQA) energy partitioning

NASA Astrophysics Data System (ADS)

McDonagh, James L.; Vincent, Mark A.; Popelier, Paul L. A.

2016-10-01

Here MP2, MP3 and MP4(SDQ) are energy-partitioned for the first time within the Interacting Quantum Atoms (IQA) context, as proof-of-concept for H2, He2 and HF. Energies are decomposed into four primary energy contributions: (i) atomic self-energies, and atomic interaction energies comprising of (ii) Coulomb, (iii) exchange and (iv) dynamic election correlation terms. We generate and partition one- and two-particle density-matrices to obtain all atomic energy components. This work suggests that, in terms of Van der Waals dispersion, the correlation energies represent an atomic stabilisation, by proximity to other atoms, as opposed to direct interactions with other nearby atoms.

Simultaneous effects of pressure and temperature on donor binding energy in Pöschl-Teller quantum well

NASA Astrophysics Data System (ADS)

Hakimyfard, Alireza; Barseghyan, M. G.; Duque, C. A.; Kirakosyan, A. A.

2009-12-01

In the frame of the variational method and the effective-mass approximation, the effects of hydrostatic pressure and temperature on the binding energy for donor impurities in the Pöschl-Teller quantum well are studied. The binding energy dependencies on the width of the quantum well, the hydrostatic pressure, the impurity position, the temperature, and the parameters of the confining potential are reported. The results show that the binding energy increases (decreases) with the increasing of the hydrostatic pressure (temperature). It is also found that, associated with the symmetry breaking in the Pöschl-Teller quantum well, and depending on the impurity position, the binding energy can increase or decrease.

Vector-mean-field theory of the fractional quantum Hall effect

NASA Astrophysics Data System (ADS)

Rejaei, B.; Beenakker, C. W. J.

1992-12-01

A mean-field theory of the fractional quantum Hall effect is formulated based on the adiabatic principle of Greiter and Wilczek. The theory is tested on known bulk properties (excitation gap, fractional charge, and statistics), and then applied to a confined region in a two-dimensional electron gas (quantum dot). For a small number N of electrons in the dot, the exact ground-state energy has cusps at the same angular momentum values as the mean-field theory. For large N, Wen's algebraic decay of the probability for resonant tunneling through the dot is reproduced, albeit with a different exponent.

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet

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

Warren, Joshua A.; Riddle, Matthew E.; Graziano, Diane J.

2015-08-12

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of siliconmore » carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015–2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2–20 billion GJ depending on market adoption dynamics.« less

Defect states and charge transport in quantum dot solids

DOE PAGES

Brawand, Nicholas P.; Goldey, Matthew B.; Vörös, Márton; ...

2017-01-16

Defects at the surface of semiconductor quantum dots (QDs) give rise to electronic states within the gap, which are detrimental to charge transport properties of QD devices. We investigated charge transport in silicon quantum dots with deep and shallow defect levels, using ab initio calculations and constrained density functional theory. We found that shallow defects may be more detrimental to charge transport than deep ones, with associated transfer rates differing by up to 5 orders of magnitude for the small dots (1-2 nm) considered here. Hence, our results indicate that the common assumption, that the ability of defects to trapmore » charges is determined by their position in the energy gap of the QD, is too simplistic, and our findings call for a reassessment of the role played by shallow defects in QD devices. Altogether, our results highlight the key importance of taking into account the atomistic structural properties of QD surfaces when investigating transport properties.« less

Light-trapping for room temperature Bose-Einstein condensation in InGaAs quantum wells.

PubMed

Vasudev, Pranai; Jiang, Jian-Hua; John, Sajeev

2016-06-27

We demonstrate the possibility of room-temperature, thermal equilibrium Bose-Einstein condensation (BEC) of exciton-polaritons in a multiple quantum well (QW) system composed of InGaAs quantum wells surrounded by InP barriers, allowing for the emission of light near telecommunication wavelengths. The QWs are embedded in a cavity consisting of double slanted pore (SP2) photonic crystals composed of InP. We consider exciton-polaritons that result from the strong coupling between the multiple quantum well excitons and photons in the lowest planar guided mode within the photonic band gap (PBG) of the photonic crystal cavity. The collective coupling of three QWs results in a vacuum Rabi splitting of 3% of the bare exciton recombination energy. Due to the full three-dimensional PBG exhibited by the SP2 photonic crystal (16% gap to mid-gap frequency ratio), the radiative decay of polaritons is eliminated in all directions. Due to the short exciton-phonon scattering time in InGaAs quantum wells of 0.5 ps and the exciton non-radiative decay time of 200 ps at room temperature, polaritons can achieve thermal equilibrium with the host lattice to form an equilibrium BEC. Using a SP2 photonic crystal with a lattice constant of a = 516 nm, a unit cell height of 2a=730nm and a pore radius of 0.305a = 157 nm, light in the lowest planar guided mode is strongly localized in the central slab layer. The central slab layer consists of 3 nm InGaAs quantum wells with 7 nm InP barriers, in which excitons have a recombination energy of 0.944 eV, a binding energy of 7 meV and a Bohr radius of aB = 10 nm. We take the exciton recombination energy to be detuned 35 meV above the lowest guided photonic mode so that an exciton-polariton has a photonic fraction of approximately 97% per QW. This increases the energy range of small-effective-mass photonlike states and increases the critical temperature for the onset of a Bose-Einstein condensate. With three quantum wells in the central slab layer

Nature does not rely on long-lived electronic quantum coherence for photosynthetic energy transfer.

PubMed

Duan, Hong-Guang; Prokhorenko, Valentyn I; Cogdell, Richard J; Ashraf, Khuram; Stevens, Amy L; Thorwart, Michael; Miller, R J Dwayne

2017-08-08

During the first steps of photosynthesis, the energy of impinging solar photons is transformed into electronic excitation energy of the light-harvesting biomolecular complexes. The subsequent energy transfer to the reaction center is commonly rationalized in terms of excitons moving on a grid of biomolecular chromophores on typical timescales [Formula: see text]100 fs. Today's understanding of the energy transfer includes the fact that the excitons are delocalized over a few neighboring sites, but the role of quantum coherence is considered as irrelevant for the transfer dynamics because it typically decays within a few tens of femtoseconds. This orthodox picture of incoherent energy transfer between clusters of a few pigments sharing delocalized excitons has been challenged by ultrafast optical spectroscopy experiments with the Fenna-Matthews-Olson protein, in which interference oscillatory signals up to 1.5 ps were reported and interpreted as direct evidence of exceptionally long-lived electronic quantum coherence. Here, we show that the optical 2D photon echo spectra of this complex at ambient temperature in aqueous solution do not provide evidence of any long-lived electronic quantum coherence, but confirm the orthodox view of rapidly decaying electronic quantum coherence on a timescale of 60 fs. Our results can be considered as generic and give no hint that electronic quantum coherence plays any biofunctional role in real photoactive biomolecular complexes. Because in this structurally well-defined protein the distances between bacteriochlorophylls are comparable to those of other light-harvesting complexes, we anticipate that this finding is general and directly applies to even larger photoactive biomolecular complexes.

Nature does not rely on long-lived electronic quantum coherence for photosynthetic energy transfer

NASA Astrophysics Data System (ADS)

Duan, Hong-Guang; Prokhorenko, Valentyn I.; Cogdell, Richard J.; Ashraf, Khuram; Stevens, Amy L.; Thorwart, Michael; Miller, R. J. Dwayne

2017-08-01

During the first steps of photosynthesis, the energy of impinging solar photons is transformed into electronic excitation energy of the light-harvesting biomolecular complexes. The subsequent energy transfer to the reaction center is commonly rationalized in terms of excitons moving on a grid of biomolecular chromophores on typical timescales <<100 fs. Today’s understanding of the energy transfer includes the fact that the excitons are delocalized over a few neighboring sites, but the role of quantum coherence is considered as irrelevant for the transfer dynamics because it typically decays within a few tens of femtoseconds. This orthodox picture of incoherent energy transfer between clusters of a few pigments sharing delocalized excitons has been challenged by ultrafast optical spectroscopy experiments with the Fenna-Matthews-Olson protein, in which interference oscillatory signals up to 1.5 ps were reported and interpreted as direct evidence of exceptionally long-lived electronic quantum coherence. Here, we show that the optical 2D photon echo spectra of this complex at ambient temperature in aqueous solution do not provide evidence of any long-lived electronic quantum coherence, but confirm the orthodox view of rapidly decaying electronic quantum coherence on a timescale of 60 fs. Our results can be considered as generic and give no hint that electronic quantum coherence plays any biofunctional role in real photoactive biomolecular complexes. Because in this structurally well-defined protein the distances between bacteriochlorophylls are comparable to those of other light-harvesting complexes, we anticipate that this finding is general and directly applies to even larger photoactive biomolecular complexes.

Dynamical Energy Gap Engineering in Graphene via Oscillating Out-of-Plane Deformations

NASA Astrophysics Data System (ADS)

Sandler, Nancy; Zhai, Dawei

The close relation between electronic properties and mechanical deformations in graphene has been the topic of active research in recent years. Interestingly, the effect of deformations on electronic properties can be understood in terms of pseudo-magnetic fields, whose spatial distribution and intensity are controllable via the deformation geometry. Previous results showed that electromagnetic fields (light) have the potential to induce dynamical gaps in graphene's energy bands, transforming graphene from a semimetal to a semiconductor. However, laser frequencies required to achieve these regimes are in the THz regime, which imposes challenges for practical purposes. In this talk we report a novel method to create dynamical gaps using oscillating mechanical deformations, i.e., via time-dependent pseudo-magnetic fields. Using the Floquet formalism we show the existence of a dynamical gap in the band structure at energies set by the frequency of the oscillation, and with a magnitude tuned by the geometry of the deformation. This dynamical-mechanical manipulation strategy appears as a promising venue to engineer electronic properties of suspended graphene devices. Work supported by NSF-DMR 1508325.

Quantum corrections crossover and ferromagnetism in magnetic topological insulators.

PubMed

Bao, Lihong; Wang, Weiyi; Meyer, Nicholas; Liu, Yanwen; Zhang, Cheng; Wang, Kai; Ai, Ping; Xiu, Faxian

2013-01-01

Revelation of emerging exotic states of topological insulators (TIs) for future quantum computing applications relies on breaking time-reversal symmetry and opening a surface energy gap. Here, we report on the transport response of Bi2Te3 TI thin films in the presence of varying Cr dopants. By tracking the magnetoconductance (MC) in a low doping regime we observed a progressive crossover from weak antilocalization (WAL) to weak localization (WL) as the Cr concentration increases. In a high doping regime, however, increasing Cr concentration yields a monotonically enhanced anomalous Hall effect (AHE) accompanied by an increasing carrier density. Our results demonstrate a possibility of manipulating bulk ferromagnetism and quantum transport in magnetic TI, thus providing an alternative way for experimentally realizing exotic quantum states required by spintronic applications.

Quantum confined stark effect on the binding energy of exciton in type II quantum heterostructure

NASA Astrophysics Data System (ADS)

Suseel, Rahul K.; Mathew, Vincent

2018-05-01

In this work, we have investigated the effect of external electric field on the strongly confined excitonic properties of CdTe/CdSe/CdTe/CdSe type-II quantum dot heterostructures. Within the effective mass approximation, we solved the Poisson-Schrodinger equations of the exciton in nanostructure using relaxation method in a self-consistent iterative manner. We changed both the external electric field and core radius of the quantum dot, to study the behavior of binding energy of exciton. Our studies show that the external electric field destroys the positional flipped state of exciton by modifying the confining potentials of electron and hole.

Synthesis of colloidal Zn(Te,Se) alloy quantum dots

NASA Astrophysics Data System (ADS)

Asano, H.; Arai, K.; Kita, M.; Omata, T.

2017-10-01

Colloidal Zn(Te1-x Se x ) quantum dots (QDs), which are highly mismatched semiconductor alloys, were synthesized by the hot injection of an organometallic solution, and the composition and size dependence of their optical gap were studied together with the theoretical calculation using the finite-depth-well effective mass approximation. The optical gaps exhibited considerable negative deviation from the mole fraction weighted mean optical gaps of ZnTe and ZnSe, i.e. a large optical gap bowing was observed, similar to the bulk and thin-film alloys. The composition and size dependence of optical gaps agreed well with theoretically calculated ones employing a bowing parameter similar to that of the bulk alloys; therefore, the extent of the optical gap bowing in these alloy QDs is concluded to be the same as that in bulk and thin-film alloys. The optical gaps of Zn(Te1-x Se x ) QDs with diameters of 3.5-5 nm, where x ~ 0.35, were close to the energy corresponding to green light, indicating that those QDs are very promising as green QD-phosphors.

Exotic ferromagnetism in the two-dimensional quantum material C3N

NASA Astrophysics Data System (ADS)

Huang, Wen-Cheng; Li, Wei; Liu, Xiaosong

2018-04-01

The search for and study of exotic quantum states in novel low-dimensional quantum materials have triggered extensive research in recent years. Here, we systematically study the electronic and magnetic structures in the newly discovered two-dimensional quantum material C3N within the framework of density functional theory. The calculations demonstrate that C3N is an indirect-band semiconductor with an energy gap of 0.38 eV, which is in good agreement with experimental observations. Interestingly, we find van Hove singularities located at energies near the Fermi level, which is half that of graphene. Thus, the Fermi energy easily approaches that of the singularities, driving the system to ferromagnetism, under charge carrier injection, such as electric field gating or hydrogen doping. These findings not only demonstrate that the emergence of magnetism stems from the itinerant electron mechanism rather than the effects of local magnetic impurities, but also open a new avenue to designing field-effect transistor devices for possible realization of an insulator-ferromagnet transition by tuning an external electric field.

Effect of temperature on the single-particle ground-state energy of a polar quantum dot with Gaussian confinement

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

Jahan, Luhluh K., E-mail: luhluhjahan@gmail.com; Chatterjee, Ashok

2016-05-23

The temperature and size dependence of the ground-state energy of a polaron in a Gaussian quantum dot have been investigated by using a variational technique. It is found that the ground-state energy increases with increasing temperature and decreases with the size of the quantum dot. Also, it is found that the ground-state energy is larger for a three-dimensional quantum dot as compared to a two-dimensional dot.

Sensitive detection of surface- and size-dependent direct and indirect band gap transitions in ferritin.

PubMed

Colton, J S; Erickson, S D; Smith, T J; Watt, R K

2014-04-04

Ferritin is a protein nano-cage that encapsulates minerals inside an 8 nm cavity. Previous band gap measurements on the native mineral, ferrihydrite, have reported gaps as low as 1.0 eV and as high as 2.5-3.5 eV. To resolve this discrepancy we have used optical absorption spectroscopy, a well-established technique for measuring both direct and indirect band gaps. Our studies included controls on the protein nano-cage, ferritin with the native ferrihydrite mineral, and ferritin with reconstituted ferrihydrite cores of different sizes. We report measurements of an indirect band gap for native ferritin of 2.140 ± 0.015 eV (579.7 nm), with a direct transition appearing at 3.053 ± 0.005 eV (406.1 nm). We also see evidence of a defect-related state having a binding energy of 0.220 ± 0.010 eV . Reconstituted ferrihydrite minerals of different sizes were also studied and showed band gap energies which increased with decreasing size due to quantum confinement effects. Molecules that interact with the surface of the mineral core also demonstrated a small influence following trends in ligand field theory, altering the native mineral's band gap up to 0.035 eV.

Hamiltonian theory of gaps, masses, and polarization in quantum Hall states

NASA Astrophysics Data System (ADS)

Shankar, R.

2001-02-01

In two short papers I had described an extension, to all length scales, of the Hamiltonian theory of composite fermions (CF) that Murthy and I developed for the infrared, and applied it to compute finite-temperature quantities for quantum Hall fractions. I furnish details of the extended theory and apply it to Jain fractions ν=p/(2ps+1). The explicit operator description in terms of the CF allows one to answer quantitative and qualitative issues, some of which cannot even be posed otherwise. I compute activation gaps for several potentials, exhibit their particle-hole symmetry, the profiles of charge density in states with a quasiparticle or hole (all in closed form), and compare to results from trial wave functions and exact diagonalization. The Hartree-Fock approximation is used, since much of the nonperturbative physics is built-in at tree level. I compare the gaps to experiment, and comment on the rough equality of normalized masses near half- and quarter-filling. I compute the critical fields at which the Hall system will jump from one quantized value of polarization to another, and the polarization and relaxation rates for half-filling as a function of temperature and propose a Korringa-like law. After providing some plausibility arguments, I explore the possibility of describing several magnetic phenomena in dirty systems with an effective potential, by extracting a free parameter describing the potential from one data point and then using it to predict all the others from that sample. This works to the accuracy typical of this theory (10-20 %). I explain why the CF behaves like a free particle in some magnetic experiments when it is not, what exactly the CF is made of, what one means by its dipole moment, and how the comparison of theory to experiment must be modified to fit the peculiarities of the quantized Hall problem.

Pressure-Induced Structural Transition and Enhancement of Energy Gap of CuAlO2

NASA Astrophysics Data System (ADS)

Nakanishi, Akitaka

2011-02-01

By using first-principles calculations, we studied the stable crystal structures and energy gaps of CuAlO2 under high pressure. Our simulation shows that CuAlO2 transforms from a delafossite structure to a leaning delafossite structure. The critical pressure of the transition was determined to be 60 GPa. The energy gap of CuAlO2 increases through the structural transition due to the enhanced covalency of Cu 3d and O 2p states. We found that a chalcopyrite structure does not appear as a stable structure under high pressure.

Photoluminescence of Gallium Phosphide-Based Nanostructures with Germanium Quantum Dots, Grown by Liquid-Phase Epitaxy

NASA Astrophysics Data System (ADS)

Maronchuk, I. I.; Sanikovich, D. D.; Velchenko, A. A.

2017-11-01

We have used liquid-phase epitaxy with pulsed substrate cooling using two structural designs to grow samples of nanoheteroepitaxial structures with Ge quantum dots in a GaP matrix on Si substrates. We have measured the photoluminescence spectra of the samples at temperatures of 77 K and 300 K with excitation by laser emission at λ = 4880 Å and 5145 Å. We draw conclusions concerning the factors influencing the spectrum and intensity of emission for nanostructures with quantum dots. It was found that in order to reduce nonradiative recombination in multilayer p-n structures, we need to create quantum dot arrays inside p and n regions rather than in the central portion of the depletion layer of the p-n junction. We show that the theoretical energies for Ge quantum dots of the calculated sizes are comparable with the energies of their photoluminescence maxima.

Programming languages and compiler design for realistic quantum hardware.

PubMed

Chong, Frederic T; Franklin, Diana; Martonosi, Margaret

2017-09-13

Quantum computing sits at an important inflection point. For years, high-level algorithms for quantum computers have shown considerable promise, and recent advances in quantum device fabrication offer hope of utility. A gap still exists, however, between the hardware size and reliability requirements of quantum computing algorithms and the physical machines foreseen within the next ten years. To bridge this gap, quantum computers require appropriate software to translate and optimize applications (toolflows) and abstraction layers. Given the stringent resource constraints in quantum computing, information passed between layers of software and implementations will differ markedly from in classical computing. Quantum toolflows must expose more physical details between layers, so the challenge is to find abstractions that expose key details while hiding enough complexity.

Programming languages and compiler design for realistic quantum hardware

NASA Astrophysics Data System (ADS)

Chong, Frederic T.; Franklin, Diana; Martonosi, Margaret

2017-09-01

Quantum computing sits at an important inflection point. For years, high-level algorithms for quantum computers have shown considerable promise, and recent advances in quantum device fabrication offer hope of utility. A gap still exists, however, between the hardware size and reliability requirements of quantum computing algorithms and the physical machines foreseen within the next ten years. To bridge this gap, quantum computers require appropriate software to translate and optimize applications (toolflows) and abstraction layers. Given the stringent resource constraints in quantum computing, information passed between layers of software and implementations will differ markedly from in classical computing. Quantum toolflows must expose more physical details between layers, so the challenge is to find abstractions that expose key details while hiding enough complexity.

Theory of g-factor enhancement in narrow-gap quantum well heterostructures.

PubMed

Krishtopenko, S S; Gavrilenko, V I; Goiran, M

2011-09-28

We report on the study of the exchange enhancement of the g-factor in the two-dimensional (2D) electron gas in n-type narrow-gap semiconductor heterostructures. Our approach is based on the eight-band k⋅p Hamiltonian and takes into account the band nonparabolicity, the lattice deformation, the spin-orbit coupling and the Landau level broadening in the δ-correlated random potential model. Using the 'screened' Hartree-Fock approximation we demonstrate that the exchange g-factor enhancement not only shows maxima at odd values of Landau level filling factors but, due to the conduction band nonparabolicity, persists at even filling factor values as well. The magnitude of the exchange enhancement, the amplitude and the shape of the g-factor oscillations are determined by both the screening of the electron-electron interaction and the Landau level width. The 'enhanced' g-factor values calculated for the 2D electron gas in InAs/AlSb quantum well heterostructures are compared with our earlier experimental data and with those obtained by Mendez et al (1993 Phys. Rev. B 47 13937) in magnetic fields up to 30 T.

Quantum field theory of interacting dark matter and dark energy: Dark monodromies

DOE PAGES

D’Amico, Guido; Hamill, Teresa; Kaloper, Nemanja

2016-11-28

We discuss how to formulate a quantum field theory of dark energy interacting with dark matter. We show that the proposals based on the assumption that dark matter is made up of heavy particles with masses which are very sensitive to the value of dark energy are strongly constrained. Quintessence-generated long-range forces and radiative stability of the quintessence potential require that such dark matter and dark energy are completely decoupled. However, if dark energy and a fraction of dark matter are very light axions, they can have significant mixings which are radiatively stable and perfectly consistent with quantum field theory.more » Such models can naturally occur in multi-axion realizations of monodromies. The mixings yield interesting signatures which are observable and are within current cosmological limits but could be constrained further by future observations« less

Quantum field theory of interacting dark matter and dark energy: Dark monodromies

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

D’Amico, Guido; Hamill, Teresa; Kaloper, Nemanja

We discuss how to formulate a quantum field theory of dark energy interacting with dark matter. We show that the proposals based on the assumption that dark matter is made up of heavy particles with masses which are very sensitive to the value of dark energy are strongly constrained. Quintessence-generated long-range forces and radiative stability of the quintessence potential require that such dark matter and dark energy are completely decoupled. However, if dark energy and a fraction of dark matter are very light axions, they can have significant mixings which are radiatively stable and perfectly consistent with quantum field theory.more » Such models can naturally occur in multi-axion realizations of monodromies. The mixings yield interesting signatures which are observable and are within current cosmological limits but could be constrained further by future observations« less

Molecular gap and energy level diagram for pentacene adsorbed on filled d-band metal surfaces

NASA Astrophysics Data System (ADS)

Baldacchini, Chiara; Mariani, Carlo; Betti, Maria Grazia; Gavioli, L.; Fanetti, M.; Sancrotti, M.

2006-10-01

The authors present a combined photoemission and scanning-tunneling spectroscopy study of the filled electronic states, the molecular energy gap, and the energy level diagram of highly ordered arrays of pentacene deposited on the Cu(119) vicinal surface. The states localized at the interface are clearly singled out, comparing the results at different pentacene thicknesses and with gas-phase photoemission data. The molecular gap of 2.35eV, the hole injection barrier of 1.05eV, and the electron injection barrier of 1.30eV determine the energy level diagram of the states localized at the pentacene molecules.

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization

NASA Astrophysics Data System (ADS)

Pérez, J. B.; Arce, J. C.

2018-06-01

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ˜1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization.

PubMed

Pérez, J B; Arce, J C

2018-06-07

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ∼1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Relating the defect band gap and the density functional band gap

NASA Astrophysics Data System (ADS)

Schultz, Peter; Edwards, Arthur

2014-03-01

Density functional theory (DFT) is an important tool to probe the physics of materials. The Kohn-Sham (KS) gap in DFT is typically (much) smaller than the observed band gap for materials in nature, the infamous ``band gap problem.'' Accurate prediction of defect energy levels is often claimed to be a casualty--the band gap defines the energy scale for defect levels. By applying rigorous control of boundary conditions in size-converged supercell calculations, however, we compute defect levels in Si and GaAs with accuracies of ~0.1 eV, across the full gap, unhampered by a band gap problem. Using GaAs as a theoretical laboratory, we show that the defect band gap--the span of computed defect levels--is insensitive to variations in the KS gap (with functional and pseudopotential), these KS gaps ranging from 0.1 to 1.1 eV. The defect gap matches the experimental 1.52 eV gap. The computed defect gaps for several other III-V, II-VI, I-VII, and other compounds also agree with the experimental gap, and show no correlation with the KS gap. Where, then, is the band gap problem? This talk presents these results, discusses why the defect gap and the KS gap are distinct, implying that current understanding of what the ``band gap problem'' means--and how to ``fix'' it--need to be rethought. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's NNSA under contract DE-AC04-94AL85000.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation

PubMed Central

Oka, Hisaki

2016-01-01

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature. PMID:27173144

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation

NASA Astrophysics Data System (ADS)

Oka, Hisaki

2016-05-01

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation.

PubMed

Oka, Hisaki

2016-05-13

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature.

Deep Wavelet Scattering for Quantum Energy Regression

NASA Astrophysics Data System (ADS)

Hirn, Matthew

Physical functionals are usually computed as solutions of variational problems or from solutions of partial differential equations, which may require huge computations for complex systems. Quantum chemistry calculations of ground state molecular energies is such an example. Indeed, if x is a quantum molecular state, then the ground state energy E0 (x) is the minimum eigenvalue solution of the time independent Schrödinger Equation, which is computationally intensive for large systems. Machine learning algorithms do not simulate the physical system but estimate solutions by interpolating values provided by a training set of known examples {(xi ,E0 (xi) } i <= n . However, precise interpolations may require a number of examples that is exponential in the system dimension, and are thus intractable. This curse of dimensionality may be circumvented by computing interpolations in smaller approximation spaces, which take advantage of physical invariants. Linear regressions of E0 over a dictionary Φ ={ϕk } k compute an approximation E 0 as: E 0 (x) =∑kwkϕk (x) , where the weights {wk } k are selected to minimize the error between E0 and E 0 on the training set. The key to such a regression approach then lies in the design of the dictionary Φ. It must be intricate enough to capture the essential variability of E0 (x) over the molecular states x of interest, while simple enough so that evaluation of Φ (x) is significantly less intensive than a direct quantum mechanical computation (or approximation) of E0 (x) . In this talk we present a novel dictionary Φ for the regression of quantum mechanical energies based on the scattering transform of an intermediate, approximate electron density representation ρx of the state x. The scattering transform has the architecture of a deep convolutional network, composed of an alternating sequence of linear filters and nonlinear maps. Whereas in many deep learning tasks the linear filters are learned from the training data, here

Intermediate Band Gap Solar Cells: The Effect of Resonant Tunneling on Delocalization

NASA Astrophysics Data System (ADS)

William, Reid; Mathew, Doty; Sanwli, Shilpa; Gammon, Dan; Bracker, Allan

2011-03-01

Quantum dots (QD's) have many unique properties, including tunable discrete energy levels, that make them suitable for a variety of next generation photovoltaic applications. One application is an intermediate band solar cell (IBSC); in which QD's are incorporated into the bulk material. The QD's are tuned to absorb low energy photons that would otherwise be wasted because their energy is less than the solar cell's bulk band gap. Current theory concludes that identical QD's should be arranged in a superlattice to form a completely delocalized intermediate band maximizing absorption of low energy photons while minimizing the decrease in the efficiency of the bulk material. We use a T-matrix model to assess the feasibility of forming a delocalized band given that real QD ensembles have an inhomogeneous distribution of energy levels. Our results suggest that formation of a band delocalized through a large QD superlattice is challenging; suggesting that the assumptions underlying present IBSC theory require reexamination. We use time-resolved photoluminescence of coupled QD's to probe the effect of delocalized states on the dynamics of absorption, energy transport, and nonradiative relaxation. These results will allow us to reexamine the theoretical assumptions and determine the degree of delocalization necessary to create an efficient quantum dot-based IBSC.

Effects of nanoscale vacuum gap on photon-enhanced thermionic emission devices

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

Wang, Yuan; Liao, Tianjun; Zhang, Yanchao

2016-01-28

A new model of the photon-enhanced thermionic emission (PETE) device with a nanoscale vacuum gap is established by introducing the quantum tunneling effect and the image force correction. Analytic expressions for both the thermionic emission and tunneling currents are derived. The electron concentration and the temperature of the cathode are determined by the particle conservation and energy balance equations. The effects of the operating voltage on the maximum potential barrier, cathode temperature, electron concentration and equilibrium electron concentration of the conduction band, and efficiency of the PETE device are discussed in detail for different given values of the vacuum gapmore » length. The influence of the band gap of the cathode and flux concentration on the efficiency is further analyzed. The maximum efficiency of the PETE and the corresponding optimum values of the band gap and the operating voltage are determined. The results obtained here show that the efficiency of the PETE device can be significantly improved by employing a nanoscale vacuum gap.« less

Quantum cryptography using entangled photons in energy-time bell states

PubMed

Tittel; Brendel; Zbinden; Gisin

2000-05-15

We present a setup for quantum cryptography based on photon pairs in energy-time Bell states and show its feasibility in a laboratory experiment. Our scheme combines the advantages of using photon pairs instead of faint laser pulses and the possibility to preserve energy-time entanglement over long distances. Moreover, using four-dimensional energy-time states, no fast random change of bases is required in our setup: Nature itself decides whether to measure in the energy or in the time base, thus rendering eavesdropper attacks based on "photon number splitting" less efficient.

Energy dissipation dataset for reversible logic gates in quantum dot-cellular automata.

PubMed

Bahar, Ali Newaz; Rahman, Mohammad Maksudur; Nahid, Nur Mohammad; Hassan, Md Kamrul

2017-02-01

This paper presents an energy dissipation dataset of different reversible logic gates in quantum-dot cellular automata. The proposed circuits have been designed and verified using QCADesigner simulator. Besides, the energy dissipation has been calculated under three different tunneling energy level at temperature T =2 K. For estimating the energy dissipation of proposed gates; QCAPro tool has been employed.

Transparent Ultra-High-Loading Quantum Dot/Polymer Nanocomposite Monolith for Gamma Scintillation.

PubMed

Liu, Chao; Li, Zhou; Hajagos, Tibor Jacob; Kishpaugh, David; Chen, Dustin Yuan; Pei, Qibing

2017-06-27

Spectroscopic gamma-photon detection has widespread applications for research, defense, and medical purposes. However, current commercial detectors are either prohibitively expensive for wide deployment or incapable of producing the characteristic gamma photopeak. Here we report the synthesis of transparent, ultra-high-loading (up to 60 wt %) Cd x Zn 1-x S/ZnS core/shell quantum dot/polymer nanocomposite monoliths for gamma scintillation by in situ copolymerization of the partially methacrylate-functionalized quantum dots in a monomer solution. The efficient Förster resonance energy transfer of the high-atomic-number quantum dots to lower-band-gap organic dyes enables the extraction of quantum-dot-borne excitons for photon production, resolving the problem of severe light yield deterioration found in previous nanoparticle-loaded scintillators. As a result, the nanocomposite scintillator exhibited simultaneous improvements in both light yield (visible photons produced per MeV of gamma-photon energy) and gamma attenuation. With these enhancements, a 662 keV Cs-137 gamma photopeak with 9.8% resolution has been detected using a 60 wt % quantum-dot nanocomposite scintillator, demonstrating the potential of such a nanocomposite system in the development of high-performance low-cost spectroscopic gamma detectors.

Data-Driven Learning of Total and Local Energies in Elemental Boron

NASA Astrophysics Data System (ADS)

Deringer, Volker L.; Pickard, Chris J.; Csányi, Gábor

2018-04-01

The allotropes of boron continue to challenge structural elucidation and solid-state theory. Here we use machine learning combined with random structure searching (RSS) algorithms to systematically construct an interatomic potential for boron. Starting from ensembles of randomized atomic configurations, we use alternating single-point quantum-mechanical energy and force computations, Gaussian approximation potential (GAP) fitting, and GAP-driven RSS to iteratively generate a representation of the element's potential-energy surface. Beyond the total energies of the very different boron allotropes, our model readily provides atom-resolved, local energies and thus deepened insight into the frustrated β -rhombohedral boron structure. Our results open the door for the efficient and automated generation of GAPs, and other machine-learning-based interatomic potentials, and suggest their usefulness as a tool for materials discovery.

Data-Driven Learning of Total and Local Energies in Elemental Boron.

PubMed

Deringer, Volker L; Pickard, Chris J; Csányi, Gábor

2018-04-13

The allotropes of boron continue to challenge structural elucidation and solid-state theory. Here we use machine learning combined with random structure searching (RSS) algorithms to systematically construct an interatomic potential for boron. Starting from ensembles of randomized atomic configurations, we use alternating single-point quantum-mechanical energy and force computations, Gaussian approximation potential (GAP) fitting, and GAP-driven RSS to iteratively generate a representation of the element's potential-energy surface. Beyond the total energies of the very different boron allotropes, our model readily provides atom-resolved, local energies and thus deepened insight into the frustrated β-rhombohedral boron structure. Our results open the door for the efficient and automated generation of GAPs, and other machine-learning-based interatomic potentials, and suggest their usefulness as a tool for materials discovery.

Reaching the healthy people goals for reducing childhood obesity: closing the energy gap.

PubMed

Wang, Y Claire; Orleans, C Tracy; Gortmaker, Steven L

2012-05-01

The federal government has set measurable goals for reducing childhood obesity to 5% by 2010 (Healthy People 2010), and 10% lower than 2005-2008 levels by 2020 (Healthy People 2020). However, population-level estimates of the changes in daily energy balance needed to reach these goals are lacking. To estimate needed per capita reductions in youths' daily "energy gap" (calories consumed over calories expended) to achieve Healthy People goals by 2020. Analyses were conducted in 2010 to fit multivariate models using National Health and Nutrition Examination Surveys 1971-2008 (N=46,164) to extrapolate past trends in obesity prevalence, weight, and BMI among youth aged 2-19 years. Differences in average daily energy requirements between the extrapolated 2020 levels and Healthy People scenarios were estimated. During 1971-2008, mean BMI and weight among U.S. youth increased by 0.55 kg/m(2) and by 1.54 kg per decade, respectively. Extrapolating from these trends to 2020, the average weight among youth in 2020 would increase by ∼1.8 kg from 2007-2008 levels. Averting this increase will require an average reduction of 41 kcal/day in youth's daily energy gap. An additional reduction of 120 kcal/day and 23 kcal/day would be needed to reach Healthy People 2010 and Healthy People 2020 goals, respectively. Larger reductions are needed among adolescents and racial/ethnic minority youth. Aggressive efforts are needed to reverse the positive energy imbalance underlying the childhood obesity epidemic. The energy-gap metric provides a useful tool for goal setting, intervention planning, and charting progress. Copyright © 2012 American Journal of Preventive Medicine. Published by Elsevier Inc. All rights reserved.

Localized end states in density modulated quantum wires and rings.

PubMed

Gangadharaiah, Suhas; Trifunovic, Luka; Loss, Daniel

2012-03-30

We study finite quantum wires and rings in the presence of a charge-density wave gap induced by a periodic modulation of the chemical potential. We show that the Tamm-Shockley bound states emerging at the ends of the wire are stable against weak disorder and interactions, for discrete open chains and for continuum systems. The low-energy physics can be mapped onto the Jackiw-Rebbi equations describing massive Dirac fermions and bound end states. We treat interactions via the continuum model and show that they increase the charge gap and further localize the end states. The electrons placed in the two localized states on the opposite ends of the wire can interact via exchange interactions and this setup can be used as a double quantum dot hosting spin qubits. The existence of these states could be experimentally detected through the presence of an unusual 4π Aharonov-Bohm periodicity in the spectrum and persistent current as a function of the external flux.

Quantum spin Hall state in monolayer 1T '-WTe 2

DOE PAGES

Tang, Shujie; Zhang, Chaofan; Wong, Dillon; ...

2017-06-26

A quantum spin Hall (QSH) insulator is a novel two-dimensional quantum state of matter that features quantized Hall conductance in the absence of a magnetic field, resulting from topologically protected dissipationless edge states that bridge the energy gap opened by band inversion and strong spin–orbit coupling. By investigating the electronic structure of epitaxially grown monolayer 1T '-WTe 2 using angle-resolved photoemission (ARPES) and first-principles calculations, we observe clear signatures of topological band inversion and bandgap opening, which are the hallmarks of a QSH state. Scanning tunnelling microscopy measurements further confirm the correct crystal structure and the existence of a bulkmore » bandgap, and provide evidence for a modified electronic structure near the edge that is consistent with the expectations for a QSH insulator. Our results establish monolayer 1T '-WTe 2 as a new class of QSH insulator with large band gap in a robust two-dimensional materials family of transition metal dichalcogenides (TMDCs).« less

Quantum spin Hall state in monolayer 1T '-WTe 2

DOE PAGES

Tang, Shujie; Zhang, Chaofan; Wong, Dillon; ...

2017-06-26

A quantum spin Hall (QSH) insulator is a novel two-dimensional quantum state of matter that features quantized Hall conductance in the absence of a magnetic field, resulting from topologically protected dissipationless edge states that bridge the energy gap opened by band inversion and strong spin–orbit coupling. By investigating the electronic structure of epitaxially grown monolayer 1T '-WTe 2 using angle-resolved photoemission (ARPES) and first-principles calculations, we observe clear signatures of topological band inversion and bandgap opening, which are the hallmarks of a QSH state. Scanning tunnelling microscopy measurements further confirm the correct crystal structure and the existence of a bulkmore » bandgap, and provide evidence for a modified electronic structure near the edge that is consistent with the expectations for a QSH insulator. Finally, our results establish monolayer 1T '-WTe 2 as a new class of QSH insulator with large band gap in a robust two-dimensional materials family of transition metal dichalcogenides (TMDCs).« less

Dexter energy transfer pathways

PubMed Central

Skourtis, Spiros S.; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M.; Beratan, David N.

2016-01-01

Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor–acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways. PMID:27382185

Dexter energy transfer pathways.

PubMed

Skourtis, Spiros S; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M; Beratan, David N

2016-07-19

Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor-acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways.

Determination of the optical band-gap energy of cubic and hexagonal boron nitride using luminescence excitation spectroscopy

NASA Astrophysics Data System (ADS)

Evans, D. A.; McGlynn, A. G.; Towlson, B. M.; Gunn, M.; Jones, D.; Jenkins, T. E.; Winter, R.; Poolton, N. R. J.

2008-02-01

Using synchrotron-based luminescence excitation spectroscopy in the energy range 4-20 eV at 8 K, the indirect Γ-X optical band-gap transition in cubic boron nitride is determined as 6.36 ± 0.03 eV, and the quasi-direct band-gap energy of hexagonal boron nitride is determined as 5.96 ± 0.04 eV. The composition and structure of the materials are self-consistently established by optically detected x-ray absorption spectroscopy, and both x-ray diffraction and Raman measurements on the same samples give independent confirmation of their chemical and structural purity: together, the results are therefore considered as providing definitive measurements of the optical band-gap energies of the two materials.

Housing Electrons: Relating Quantum Numbers, Energy Levels, and Electron Configurations.

ERIC Educational Resources Information Center

Garofalo, Anthony

1997-01-01

Presents an activity that combines the concepts of quantum numbers and probability locations, energy levels, and electron configurations in a concrete, hands-on way. Uses model houses constructed out of foam board and colored beads to represent electrons. (JRH)

II-VI colloidal quantum-dot/quantum-rod heterostructures under electric field effect and their energy transfer rate to graphene

NASA Astrophysics Data System (ADS)

Zahra, H.; Elmaghroui, D.; Fezai, I.; Jaziri, S.

2016-11-01

We theoretically investigate the energy transfer between a CdSe/CdS Quantum-dot/Quantum-rod (QD/QR) core/shell structure and a weakly doped graphene layer, separated by a dielectric spacer. A numerical method assuming the realistic shape of the type I and quasi-type II CdSe/CdS QD/QR is developed in order to calculate their energy structure. An electric field is applied for both types to manipulate the carriers localization and the exciton energy. Our evaluation for the isolated QD/QR shows that a quantum confined Stark effect can be obtained with large negative electric filed while a small effect is observed with positive ones. Owing to the evolution of the carriers delocalization and their excitonic energy versus the electric field, both type I and quasi-type II QD/QR donors are suitable as sources of charge and energy. With a view to improve its absorption, the graphene sheet (acceptor) is placed at different distances from the QD/QR (donor). Using the random phase approximation and the massless Dirac Fermi approximation, the quenching rate integral is exactly evaluated. That reveals a high transfer rate that can be obtained with type I QD/QR with no dependence on the electric field. On the contrary, a high dependence is obtained for the quasi-type II donor and a high fluorescence rate from F = 80 kV/cm. Rather than the exciton energy, the transition dipole is found to be responsible for the evolution of the fluorescence rate. We find also that the fluorescence rate decreases with increasing the spacer thickness and shows a power low dependence. The QD/QR fluorescence quenching can be observed up to large distance which is estimated to be dependent only on the donor exciton energy.

Quantum metrology and estimation of Unruh effect

PubMed Central

Wang, Jieci; Tian, Zehua; Jing, Jiliang; Fan, Heng

2014-01-01

We study the quantum metrology for a pair of entangled Unruh-Dewitt detectors when one of them is accelerated and coupled to a massless scalar field. Comparing with previous schemes, our model requires only local interaction and avoids the use of cavities in the probe state preparation process. We show that the probe state preparation and the interaction between the accelerated detector and the external field have significant effects on the value of quantum Fisher information, correspondingly pose variable ultimate limit of precision in the estimation of Unruh effect. We find that the precision of the estimation can be improved by a larger effective coupling strength and a longer interaction time. Alternatively, the energy gap of the detector has a range that can provide us a better precision. Thus we may adjust those parameters and attain a higher precision in the estimation. We also find that an extremely high acceleration is not required in the quantum metrology process. PMID:25424772

Optical absorption spectra and energy band gap in manganese containing sodium zinc phosphate glasses

NASA Astrophysics Data System (ADS)

Sardarpasha, K. R.; Hanumantharaju, N.; Gowda, V. C. Veeranna

2018-05-01

Optical band gap energy in the system 25Na2O-(75-x)[0.6P2O5-0.4ZnO]-xMnO2 (where x = 0.5,1,5,10 and 20 mol.%) have been studied. The intensity of the absorption band found to increase with increase of MnO2 content. The decrease in the optical band gap energy with increase in MnO2 content in the investigated glasses is attributed to shifting of absorption edge to a longer wavelength region. The obtained results were discussed in view of the structure of phosphate glass network.

Effects of Initial Correlation and Quantum Coherence on the Energy Transfer, Purity and Entanglement

NASA Astrophysics Data System (ADS)

Meng, Xiangjia; Chen, Longxi

2018-04-01

We investigate the influences of the initial correlation and quantum coherence on a bipartite dissipative system which is modeled by two two-level quantum emitters driven by an external laser field. It is shown that the initial correlation can enhance or suppress the dynamical evolution of the energy transfer quantified by the excited-state population and the information flow between the two emitters characterized by the purity. We also present the degree of the influence of the initial correlation that is determined by the quantum coherence induced by a relative phase. By introducing Bloch sphere, we illustrate the relation between the energy transfer and the purity. In addition, a scheme for generating maximally entangled steady state is proposed.

Thermodynamic limits to the conversion of blackbody radiation by quantum systems. [with application to solar energy conversion devices

NASA Technical Reports Server (NTRS)

Buoncristiani, A. M.; Smith, B. T.; Byvik, C. E.

1982-01-01

Using general thermodynamic arguments, we analyze the conversion of the energy contained in the radiation from a blackbody to useful work by a quantum system. We show that the energy available for conversion is bounded above by the change in free energy in the incident and reradiated fields and that this free energy change depends upon the temperature of the receiving device. Universal efficiency curves giving the ultimate thermodynamic conversion efficiency of the quantum system are presented in terms of the blackbody temperature and the temperature and threshold energy of the quantum system. Application of these results is made to a variety of systems including biological photosynthetic, photovoltaic, and photoelectrochemical systems.

Gapped Spin-1/2 Spinon Excitations in a New Kagome Quantum Spin Liquid Compound Cu3Zn(OH)6FBr

NASA Astrophysics Data System (ADS)

Feng, Zili; Li, Zheng; Meng, Xin; Yi, Wei; Wei, Yuan; Zhang, Jun; Wang, Yan-Cheng; Jiang, Wei; Liu, Zheng; Li, Shiyan; Liu, Feng; Luo, Jianlin; Li, Shiliang; Zheng, Guo-qing; Meng, Zi Yang; Mei, Jia-Wei; Shi, Youguo

2017-06-01

We report a new kagome quantum spin liquid candidate Cu3Zn(OH)6FBr, which does not experience any phase transition down to 50 mK, more than three orders lower than the antiferromagnetic Curie-Weiss temperature (∼200 K). A clear gap opening at low temperature is observed in the uniform spin susceptibility obtained from 19F nuclear magnetic resonance measurements. We observe the characteristic magnetic field dependence of the gap as expected for fractionalized spin-1/2 spinon excitations. Our experimental results provide firm evidence for spin fractionalization in a topologically ordered spin system, resembling charge fractionalization in the fractional quantum Hall state. Supported by the National Key Research and Development Program of China under Grant Nos 2016YFA0300502, 2016YFA0300503, 2016YFA0300604, 2016YF0300300 and 2016YFA0300802, the National Natural Science Foundation of China under Grant Nos 11421092, 11474330, 11574359, 11674406, 11374346 and 11674375, the National Basic Research Program of China (973 Program) under Grant No 2015CB921304, the National Thousand-Young-Talents Program of China, the Strategic Priority Research Program (B) of the Chinese Academy of Sciences under Grant Nos XDB07020000, XDB07020200 and XDB07020300. The work in Utah is supported by DOE-BES under Grant No DE-FG02-04ER46148.

Mixed quantum/classical investigation of the photodissociation of NH3(Ã) and a practical method for maintaining zero-point energy in classical trajectories

NASA Astrophysics Data System (ADS)

Bonhommeau, David; Truhlar, Donald G.

2008-07-01

The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode ν2 with n2=0,…,6 quanta of vibration) in the à electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTU /SD+trajectory projection onto ZPE orbit (TRAPZ) and FSTU /SD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH2 internal energy distributions obtained for n2=0 and n2>1, as observed in experiments. Distributions obtained for n2=1 present an intermediate behavior between distributions obtained for smaller and larger n2 values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH2 internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n2=0 and n2=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.

Mixed quantum/classical investigation of the photodissociation of NH3(A) and a practical method for maintaining zero-point energy in classical trajectories.

PubMed

Bonhommeau, David; Truhlar, Donald G

2008-07-07

The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode nu(2) with n(2)=0,[ellipsis (horizontal)],6 quanta of vibration) in the A electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTUSD+trajectory projection onto ZPE orbit (TRAPZ) and FSTUSD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH(2) internal energy distributions obtained for n(2)=0 and n(2)>1, as observed in experiments. Distributions obtained for n(2)=1 present an intermediate behavior between distributions obtained for smaller and larger n(2) values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH(2) internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n(2)=0 and n(2)=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.

Quasiparticle breakdown in a quantum spin liquid.

PubMed

Stone, Matthew B; Zaliznyak, Igor A; Hong, Tao; Broholm, Collin L; Reich, Daniel H

2006-03-09

Much of modern condensed matter physics is understood in terms of elementary excitations, or quasiparticles--fundamental quanta of energy and momentum. Various strongly interacting atomic systems are successfully treated as a collection of quasiparticles with weak or no interactions. However, there are interesting limitations to this description: in some systems the very existence of quasiparticles cannot be taken for granted. Like unstable elementary particles, quasiparticles cannot survive beyond a threshold where certain decay channels become allowed by conservation laws; their spectrum terminates at this threshold. Such quasiparticle breakdown was first predicted for an exotic state of matter--super-fluid 4He at temperatures close to absolute zero, a quantum Bose liquid where zero-point atomic motion precludes crystallization. Here we show, using neutron scattering, that quasiparticle breakdown can also occur in a quantum magnet and, by implication, in other systems with Bose quasiparticles. We have measured spin excitations in a two-dimensional quantum magnet, piperazinium hexachlorodicuprate (PHCC), in which spin-1/2 copper ions form a non-magnetic quantum spin liquid, and find remarkable similarities with excitations in superfluid 4He. We observe a threshold momentum beyond which the quasiparticle peak merges with the two-quasiparticle continuum. It then acquires a finite energy width and becomes indistinguishable from a leading-edge singularity, so that excited states are no longer quasiparticles but occupy a wide band of energy. Our findings have important ramifications for understanding excitations with gapped spectra in many condensed matter systems, ranging from band insulators to high-transition-temperature superconductors.

Role of superconducting energy gap in extended BCS-Bose crossover theory

NASA Astrophysics Data System (ADS)

Chávez, I.; García, L. A.; de Llano, M.; Grether, M.

2017-10-01

The generalized Bose-Einstein condensation (GBEC) theory of superconductivity (SC) is briefly surveyed. It hinges on three distinct new ingredients: (i) Treatment of Cooper pairs (CPs) as actual bosons since they obey Bose statistics, in contrast to BCS pairs which do not obey Bose commutation relations; (ii) inclusion of two-hole Cooper pairs (2hCPs) on an equal footing with two-electron Cooper pairs (2eCPs), thus making this a complete boson-fermion (BF) model; and (iii) inclusion in the resulting ternary ideal BF gas with particular BF vertex interactions that drive boson formation/disintegration processes. GBEC subsumes as special cases both BCS (having its 50-50 symmetry of both kinds of CPs) and ordinary BEC theories (having no 2hCPs), as well as the now familiar BCS-Bose crossover theory. We extended the crossover theory with the explicit inclusion of 2hCPs and construct a phase diagram of Tc/TF versus n/nf, where Tc and TF are the critical and Fermi temperatures, n is the total number density and nf that of unbound electrons at T = 0. Also, with this extended crossover one can construct the energy gap Δ(T)/Δ(0) versus T/Tc for some elemental SCs by solving at least two equations numerically: a gap-like and a number equation. In 50-50 symmetry, the energy gap curve agrees quite well with experimental data. But ignoring 2hCPs altogether leads to the gap curve falling substantially below that with 50-50 symmetry which already fits the data quite well, showing that 2hCPs are indispensable to describe SCs.

Ultra-small (r<2 nm), stable (>1 year) copper oxide quantum dots with wide band gap

NASA Astrophysics Data System (ADS)

Talluri, Bhusankar; Prasad, Edamana; Thomas, Tiju

2018-01-01

Practical use of quantum dots (QDs) will rely on processes that enable (i) monodispersity, (ii) scalability, (iii) green approaches to manufacturing them. We demonstrate, a green, rapid, soft chemical, and industrial viable approach for obtaining quasi-spherical, ultra-small (size ∼2.4 ± 0.5 nm), stable (>1 yr), and monodispersed copper oxide QDs (r < 2 nm) based on digestive ripening (DR). These QDs show wide band gap (Eg∼5.3 eV), this substantial band gap increase is currently inexplicable using Brus' equation, and is likely due to surface chemistry of these strongly confined QDs. Capping with triethanolamine (TEA) results in reduction in the average particle diameter from 9 ± 4 nm to 2.4 ± 0.5 nm and an increase of zeta potential (ξ) from +12 ± 2 mV to +31 ± 2 mV. XPS and electron diffraction studies indicate that capped copper oxide QDs which have TEA chemisorbed on its surface are expected to partly stabilize Cu (I) resulting in mixed phase in these QDs. This result is likely to inform efforts that involve achieving monodisperse microstructures and nano-structures, of oxides with a tendency for multivalency.

Quantum theory of the electronic and optical properties of low-dimensional semiconductor systems

NASA Astrophysics Data System (ADS)

Lau, Wayne Heung

This thesis examines the electronic and optical properties of low-dimensional semiconductor systems. A theory is developed to study the electron-hole generation-recombination process of type-II semimetallic semiconductor heterojunctions based on a 3 x 3 k·p matrix Hamiltonian (three-band model) and an 8 x 8 k·p matrix Hamiltonian (eight-band model). A novel electron-hole generation and recombination process, which is called activationless generation-recombination process, is predicted. It is demonstrated that the current through the type-II semimetallic semiconductor heterojunctions is governed by the activationless electron-hole generation-recombination process at the heterointerfaces, and that the current-voltage characteristics are essentially linear. A qualitative agreement between theory and experiments is observed. The numerical results of the eight-band model are compared with those of the threeband model. Based on a lattice gas model, a theory is developed to study the influence of a random potential on the ionization equilibrium conditions for bound electron-hole pairs (excitons) in III--V semiconductor heterostructures. It is demonstrated that ionization equilibrium conditions for bound electron-hole pairs change drastically in the presence of strong disorder. It is predicted that strong disorder promotes dissociation of excitons in III--V semiconductor heterostructures. A theory of polariton (photon dressed by phonon) spontaneous emission in a III--V semiconductor doped with semiconductor quantum dots (QDs) or quantum wells (QWs) is developed. For the first time, superradiant and subradiant polariton spontaneous emission phenomena in a polariton-QD (QW) coupled system are predicted when the resonance energies of the two identical QDs (QWs) lie outside the polaritonic energy gap. It is also predicted that when the resonance energies of the two identical QDs (QWs) lie inside the polaritonic energy gap, spontaneous emission of polariton in the polariton

Nonequilibrium quantum mechanics: A "hot quantum soup" of paramagnons

NASA Astrophysics Data System (ADS)

Scammell, H. D.; Sushkov, O. P.

2017-01-01

Motivated by recent measurements of the lifetime (decay width) of paramagnons in quantum antiferromagnet TlCuCl3, we investigate paramagnon decay in a heat bath and formulate an appropriate quantum theory. Our formulation can be split into two regimes: (i) a nonperturbative, "hot quantum soup" regime where the paramagnon width is comparable to its energy; (ii) a usual perturbative regime where the paramagnon width is significantly lower than its energy. Close to the Neel temperature, the paramagnon width becomes comparable to its energy and falls into the hot quantum soup regime. To describe this regime, we develop a new finite frequency, finite temperature technique for a nonlinear quantum field theory; the "golden rule of quantum kinetics." The formulation is generic and applicable to any three-dimensional quantum antiferromagnet in the vicinity of a quantum critical point. Specifically, we apply our results to TlCuCl3 and find agreement with experimental data. Additionally, we show that logarithmic running of the coupling constant in the upper critical dimension changes the commonly accepted picture of the quantum disordered and quantum critical regimes.

Observation of the fractional quantum Hall effect in graphene.

PubMed

Bolotin, Kirill I; Ghahari, Fereshte; Shulman, Michael D; Stormer, Horst L; Kim, Philip

2009-11-12

When electrons are confined in two dimensions and subject to strong magnetic fields, the Coulomb interactions between them can become very strong, leading to the formation of correlated states of matter, such as the fractional quantum Hall liquid. In this strong quantum regime, electrons and magnetic flux quanta bind to form complex composite quasiparticles with fractional electronic charge; these are manifest in transport measurements of the Hall conductivity as rational fractions of the elementary conductance quantum. The experimental discovery of an anomalous integer quantum Hall effect in graphene has enabled the study of a correlated two-dimensional electronic system, in which the interacting electrons behave like massless chiral fermions. However, owing to the prevailing disorder, graphene has so far exhibited only weak signatures of correlated electron phenomena, despite intense experimental and theoretical efforts. Here we report the observation of the fractional quantum Hall effect in ultraclean, suspended graphene. In addition, we show that at low carrier density graphene becomes an insulator with a magnetic-field-tunable energy gap. These newly discovered quantum states offer the opportunity to study correlated Dirac fermions in graphene in the presence of large magnetic fields.

Gate-defined Quantum Confinement in Suspended Bilayer Graphene

NASA Astrophysics Data System (ADS)

Allen, Monica

2013-03-01

Quantum confined devices in carbon-based materials offer unique possibilities for applications ranging from quantum computation to sensing. In particular, nanostructured carbon is a promising candidate for spin-based quantum computation due to the ability to suppress hyperfine coupling to nuclear spins, a dominant source of spin decoherence. Yet graphene lacks an intrinsic bandgap, which poses a serious challenge for the creation of such devices. We present a novel approach to quantum confinement utilizing tunnel barriers defined by local electric fields that break sublattice symmetry in suspended bilayer graphene. This technique electrostatically confines charges via band structure control, thereby eliminating the edge and substrate disorder that hinders on-chip etched nanostructures to date. We report clean single electron tunneling through gate-defined quantum dots in two regimes: at zero magnetic field using the energy gap induced by a perpendicular electric field and at finite magnetic fields using Landau level confinement. The observed Coulomb blockade periodicity agrees with electrostatic simulations based on local top-gate geometry, a direct demonstration of local control over the band structure of graphene. This technology integrates quantum confinement with pristine device quality and access to vibrational modes, enabling wide applications from electromechanical sensors to quantum bits. More broadly, the ability to externally tailor the graphene bandgap over nanometer scales opens a new unexplored avenue for creating quantum devices.

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.

PubMed

Cendagorta, Joseph R; Powers, Anna; Hele, Timothy J H; Marsalek, Ondrej; Bačić, Zlatko; Tuckerman, Mark E

2016-11-30

Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H 2 and D 2 diffusion through a hexagonal face shared by two large cages of clathrate hydrates over a wide range of temperatures. Path integral molecular dynamics simulations are used to compute the free-energy profiles for the diffusion of H 2 and D 2 as a function of temperature. Ring polymer molecular dynamics rate theory, incorporating both exact quantum statistics and approximate quantum dynamical effects, is utilized in the calculations of the H 2 and D 2 diffusion rates in a broad temperature interval. We find that the shape of the quantum free-energy profiles and their height relative to the classical free energy barriers at a given temperature, as well as the rate of diffusion, are strongly affected by competing quantum effects: above 25 K, zero-point energy (ZPE) perpendicular to the reaction path for diffusion between cavities decreases the quantum rate compared to the classical rate, whereas at lower temperatures tunneling outcompetes the ZPE and as a result the quantum rate is greater than the classical rate.

Non-Poissonian quantum jumps of a fluxonium qubit due to quasiparticle excitations.

PubMed

Vool, U; Pop, I M; Sliwa, K; Abdo, B; Wang, C; Brecht, T; Gao, Y Y; Shankar, S; Hatridge, M; Catelani, G; Mirrahimi, M; Frunzio, L; Schoelkopf, R J; Glazman, L I; Devoret, M H

2014-12-12

As the energy relaxation time of superconducting qubits steadily improves, nonequilibrium quasiparticle excitations above the superconducting gap emerge as an increasingly relevant limit for qubit coherence. We measure fluctuations in the number of quasiparticle excitations by continuously monitoring the spontaneous quantum jumps between the states of a fluxonium qubit, in conditions where relaxation is dominated by quasiparticle loss. Resolution on the scale of a single quasiparticle is obtained by performing quantum nondemolition projective measurements within a time interval much shorter than T₁, using a quantum-limited amplifier (Josephson parametric converter). The quantum jump statistics switches between the expected Poisson distribution and a non-Poissonian one, indicating large relative fluctuations in the quasiparticle population, on time scales varying from seconds to hours. This dynamics can be modified controllably by injecting quasiparticles or by seeding quasiparticle-trapping vortices by cooling down in a magnetic field.

Probing Bioluminescence Resonance Energy Transfer in Quantum Rod-Luciferase Nanoconjugates.

PubMed

Alam, Rabeka; Karam, Liliana M; Doane, Tennyson L; Coopersmith, Kaitlin; Fontaine, Danielle M; Branchini, Bruce R; Maye, Mathew M

2016-02-23

We describe the necessary design criteria to create highly efficient energy transfer conjugates containing luciferase enzymes derived from Photinus pyralis (Ppy) and semiconductor quantum rods (QRs) with rod-in-rod (r/r) microstructure. By fine-tuning the synthetic conditions, CdSe/CdS r/r-QRs were prepared with two different emission colors and three different aspect ratios (l/w) each. These were hybridized with blue, green, and red emitting Ppy, leading to a number of new BRET nanoconjugates. Measurements of the emission BRET ratio (BR) indicate that the resulting energy transfer is highly dependent on QR energy accepting properties, which include absorption, quantum yield, and optical anisotropy, as well as its morphological and topological properties, such as aspect ratio and defect concentration. The highest BR was found using r/r-QRs with lower l/w that were conjugated with red Ppy, which may be activating one of the anisotropic CdSe core energy levels. The role QR surface defects play on Ppy binding, and energy transfer was studied by growth of gold nanoparticles at the defects, which indicated that each QR set has different sites. The Ppy binding at those sites is suggested by the observed BRET red-shift as a function of Ppy-to-QR loading (L), where the lowest L results in highest efficiency and furthest shift.

Simulation of energy spectrum of GEM detector from an x-ray quantum

NASA Astrophysics Data System (ADS)

Malinowski, K.; Chernyshova, M.; Czarski, T.; Kowalska-Strzęciwilk, E.; Linczuk, P.; Wojeński, A.; Krawczyk, R.; Gąska, M.

2018-01-01

This paper presents the results of the energy resolution simulation for the triple GEM-based detector for x-ray quantum of 5.9 keV . Photons of this energy are emitted by 55Fe source, which is a standard calibration marker for this type of detectors. The calculations were made in Garfield++ in two stages. In the first stage, the distribution of the amount of primary electrons generated in the drift volume by the x-ray quantum was simulated using the Heed program. Secondly, the primary electrons of the resulting quantitative distribution were treated as a source of electron avalanches propagated through the whole volume of the triple GEM-based detector. The distribution of the obtained signals created a spectrum corresponding to the peak at 5.9 keV, which allowed us to determine the theoretical energy resolution of the detector. Its knowledge allows observing and improving the eventual experimental deterioration of the energy resolution, inevitably accompanying processes of registration and processing of the signals.

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.

Freedom from band-gap slavery: from diode lasers to quantum cascade lasers

NASA Astrophysics Data System (ADS)

Capasso, Federico

2010-02-01

Semiconductor heterostructure lasers, for which Alferov and Kromer received part of the Nobel Prize in Physics in 2000, are the workhorse of technologies such as optical communications, optical recording, supermarket scanners, laser printers and fax machines. They exhibit high performance in the visible and near infrared and rely for their operation on electrons and holes emitting photons across the semiconductor bandgap. This mechanism turns into a curse at longer wavelengths (mid-infrared) because as the bandgap, shrinks laser operation becomes much more sensitive to temperature, material defects and processing. Quantum Cascade Laser (QCL), invented in 1994, rely on a radically different process for light emission. QCLs are unipolar devices in which electrons undergo transitions between quantum well energy levels and are recycled through many stages emitting a cascade of photons. Thus by suitable tailoring of the layers' thickness, using the same heterostructure material, they can lase across the molecular fingerprint region from 3 to 25 microns and beyond into the far-infrared and submillimiter wave spectrum. High power cw room temperature QCLs and QCLs with large continuous single mode tuning range have found many applications (infrared countermeasures, spectroscopy, trace gas analysis and atmospheric chemistry) and are commercially available. )

Quantum phase transitions in effective spin-ladder models for graphene zigzag nanoribbons

NASA Astrophysics Data System (ADS)

Koop, Cornelie; Wessel, Stefan

2017-10-01

We examine the magnetic correlations in quantum spin models that were derived recently as effective low-energy theories for electronic correlation effects on the edge states of graphene nanoribbons. For this purpose, we employ quantum Monte Carlo simulations to access the large-distance properties, accounting for quantum fluctuations beyond mean-field-theory approaches to edge magnetism. For certain chiral nanoribbons, antiferromagnetic interedge couplings were previously found to induce a gapped quantum disordered ground state of the effective spin model. We find that the extended nature of the intraedge couplings in the effective spin model for zigzag nanoribbons leads to a quantum phase transition at a large, finite value of the interedge coupling. This quantum critical point separates the quantum disordered region from a gapless phase of stable edge magnetism at weak intraedge coupling, which includes the ground states of spin-ladder models for wide zigzag nanoribbons. To study the quantum critical behavior, the effective spin model can be related to a model of two antiferromagnetically coupled Haldane-Shastry spin-half chains with long-ranged ferromagnetic intrachain couplings. The results for the critical exponents are compared also to several recent renormalization-group calculations for related long-ranged interacting quantum systems.

Complexity of Quantum Impurity Problems

NASA Astrophysics Data System (ADS)

Bravyi, Sergey; Gosset, David

2017-12-01

We give a quasi-polynomial time classical algorithm for estimating the ground state energy and for computing low energy states of quantum impurity models. Such models describe a bath of free fermions coupled to a small interacting subsystem called an impurity. The full system consists of n fermionic modes and has a Hamiltonian {H=H_0+H_{imp}}, where H 0 is quadratic in creation-annihilation operators and H imp is an arbitrary Hamiltonian acting on a subset of O(1) modes. We show that the ground energy of H can be approximated with an additive error {2^{-b}} in time {n^3 \\exp{[O(b^3)]}}. Our algorithm also finds a low energy state that achieves this approximation. The low energy state is represented as a superposition of {\\exp{[O(b^3)]}} fermionic Gaussian states. To arrive at this result we prove several theorems concerning exact ground states of impurity models. In particular, we show that eigenvalues of the ground state covariance matrix decay exponentially with the exponent depending very mildly on the spectral gap of H 0. A key ingredient of our proof is Zolotarev's rational approximation to the {√{x}} function. We anticipate that our algorithms may be used in hybrid quantum-classical simulations of strongly correlated materials based on dynamical mean field theory. We implemented a simplified practical version of our algorithm and benchmarked it using the single impurity Anderson model.

Quantum Effects in Cosmochemistry: Complexation Energy and Van Der Waals Radii

NASA Technical Reports Server (NTRS)

Mittlefehldt, D. W.; Wilson, T. L.

2007-01-01

The subject of quantum effects in cosmochemistry was recently addressed with the goal of understanding how they contribute to Q-phase noble gas abundances found in meteorites. It was the pursuit of the Q-phase carrier of noble gases and their anomalous abundances that ultimately led to the identification, isolation, and discovery of presolar grains. In spite of its importance, Q-phase investigations have led a number of authors to reach conclusions that do not seem to be supported by quantum chemistry. In view of the subject's fundamental significance, additional study is called for. Two quantum properties of Q-phase candidates known as endohedral carbon-cage clathrates such as fullerenes will be addressed here. These are complexation energy and instability induced by Pauli blocking (exclusion principle).

Adiabatic Theorem for Quantum Spin Systems

NASA Astrophysics Data System (ADS)

Bachmann, S.; De Roeck, W.; Fraas, M.

2017-08-01

The first proof of the quantum adiabatic theorem was given as early as 1928. Today, this theorem is increasingly applied in a many-body context, e.g., in quantum annealing and in studies of topological properties of matter. In this setup, the rate of variation ɛ of local terms is indeed small compared to the gap, but the rate of variation of the total, extensive Hamiltonian, is not. Therefore, applications to many-body systems are not covered by the proofs and arguments in the literature. In this Letter, we prove a version of the adiabatic theorem for gapped ground states of interacting quantum spin systems, under assumptions that remain valid in the thermodynamic limit. As an application, we give a mathematical proof of Kubo's linear response formula for a broad class of gapped interacting systems. We predict that the density of nonadiabatic excitations is exponentially small in the driving rate and the scaling of the exponent depends on the dimension.

Quantum design of photosynthesis for bio-inspired solar-energy conversion.

PubMed

Romero, Elisabet; Novoderezhkin, Vladimir I; van Grondelle, Rienk

2017-03-15

Photosynthesis is the natural process that converts solar photons into energy-rich products that are needed to drive the biochemistry of life. Two ultrafast processes form the basis of photosynthesis: excitation energy transfer and charge separation. Under optimal conditions, every photon that is absorbed is used by the photosynthetic organism. Fundamental quantum mechanics phenomena, including delocalization, underlie the speed, efficiency and directionality of the charge-separation process. At least four design principles are active in natural photosynthesis, and these can be applied practically to stimulate the development of bio-inspired, human-made energy conversion systems.

Quantum computing applied to calculations of molecular energies: CH2 benchmark.

PubMed

Veis, Libor; Pittner, Jiří

2010-11-21

Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full configuration interaction (FCI) energy calculations with a polynomial scaling. This is in contrast to conventional computers where FCI scales exponentially. We have developed a code for simulation of quantum computers and implemented our version of the quantum FCI algorithm. We provide a detailed description of this algorithm and the results of the assessment of its performance on the four lowest lying electronic states of CH(2) molecule. This molecule was chosen as a benchmark, since its two lowest lying (1)A(1) states exhibit a multireference character at the equilibrium geometry. It has been shown that with a suitably chosen initial state of the quantum register, one is able to achieve the probability amplification regime of the iterative phase estimation algorithm even in this case.

Simultaneous effects of temperature and pressure on the donor binding energy in a V-groove quantum wire

NASA Astrophysics Data System (ADS)

Khordad, R.

2010-03-01

The influence of temperature and pressure, simultaneously, on the binding energy of a hydrogenic donor impurity in a ridge GaAs/Ga 1- xAl xAs quantum wire is studied using a variational procedure within the effective mass approximation. The subband energy and the binding energy of the donor impurity in its ground state as a function of the wire bend width and impurity location at different temperatures and pressures are calculated. The results show that, when the temperature increases, the donor binding energy decreases for a constant applied pressure for all wire bend widths. Also, the binding energy increases by increasing the pressure for a constant temperature for all wire bend widths. In addition, when the temperature and pressure are applied simultaneously the binding energy decreases as the quantum wire bend width increases. On the whole, it is deduced that the temperature and pressure have important effects on the donor binding energy in a V-groove quantum wire.

Conductance modulation in Weyl semimetals with tilted energy dispersion without a band gap

NASA Astrophysics Data System (ADS)

Yesilyurt, Can; Siu, Zhuo Bin; Tan, Seng Ghee; Liang, Gengchiau; Jalil, Mansoor B. A.

2017-06-01

We investigate the tunneling conductance of Weyl semimetal with tilted energy dispersion by considering electron transmission through a p-n-p junction with one-dimensional electric and magnetic barriers. In the presence of both electric and magnetic barriers, we found that a large conductance gap can be produced with the aid of tilted energy dispersion without a band gap. The origin of this effect is the shift of the electron wave-vector at barrier boundaries caused by (i) the pseudo-magnetic field induced by electrical potential, i.e., a newly discovered feature that is only possible in the materials possessing tilted energy dispersion, (ii) the real magnetic field induced by a ferromagnetic layer deposited on the top of the system. We use a realistic barrier structure applicable in current nanotechnology and analyze the temperature dependence of the tunneling conductance. The new approach presented here may resolve a major problem of possible transistor applications in topological semimetals, i.e., the absence of normal backscattering and gapless band structure.

Probing strong correlations with light scattering: Example of the quantum Ising model

DOE PAGES

Babujian, H. M.; Karowski, M.; Tsvelik, A. M.

2016-10-01

In this article we calculate the nonlinear susceptibility and the resonant Raman cross section for the paramagnetic phase of the ferromagnetic quantum Ising model in one dimension. In this region the spectrum of the Ising model has a gap m. The Raman cross section has a strong singularity when the energy of the outgoing photon is at the spectral gap ω f ≈ m and a square root threshold when the frequency difference between the incident and outgoing photons ω i₋ω f≈2m. Finally, the latter feature reflects the fermionic nature of the Ising model excitations.

Probing strong correlations with light scattering: Example of the quantum Ising model

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

Babujian, H. M.; Karowski, M.; Tsvelik, A. M.

In this article we calculate the nonlinear susceptibility and the resonant Raman cross section for the paramagnetic phase of the ferromagnetic quantum Ising model in one dimension. In this region the spectrum of the Ising model has a gap m. The Raman cross section has a strong singularity when the energy of the outgoing photon is at the spectral gap ω f ≈ m and a square root threshold when the frequency difference between the incident and outgoing photons ω i₋ω f≈2m. Finally, the latter feature reflects the fermionic nature of the Ising model excitations.

Effect of temperature on In_{{\\varvec{x}}} Ga_{1-{{\\varvec{x}}}} As/GaAs quantum dots

NASA Astrophysics Data System (ADS)

Borji, Mahdi Ahmadi; Reyahi, Ali; Rajaei, Esfandiar; Ghahremani, Mohsen

2017-08-01

In this paper, the strain, band-edge, and energy levels of pyramidal In_x Ga_{1-x} As/GaAs quantum dots are investigated by 1-band effective mass approach. It is shown that while temperature has no remarkable effect on the strain tensor, the band gap lowers and the radiation wavelength elongates by increasing temperature. Also, band gap and energy do not linearly decrease by temperature rise. Our results appear to agree with former researches. This can be used in designing laser devices and sensors when applied in different working temperatures. Furthermore, when the device works for a long time, self-heating occurs which changes the characteristics of the output.

Polarization State of Light Scattered from Quantum Plasmonic Dimer Antennas.

PubMed

Yang, Longkun; Wang, Hancong; Fang, Yan; Li, Zhipeng

2016-01-26

Plasmonic antennas are able to concentrate and re-emit light in a controllable manner through strong coupling between metallic nanostructures. Only recently has it found that quantum mechanical effects can drastically change the coupling strength as the feature size approaches atomic scales. Here, we present a comprehensive experimental and theoretical study of the evolution of the resonance peak and its polarization state as the dimer-antenna gap narrows to subnanometer scale. We clearly can identify the classical plasmonic regime, a crossover regime where nonlocal screening plays an important role, and the quantum regime where a charge transfer plasmon appears due to interparticle electron tunneling. Moreover, as the gap decreases from tens of to a few nanometers, the bonding dipole mode tends to emit photons with increasing polarizability. When the gap narrows to quantum regime, a significant depolarization of the mode emission is observed due to the reduction of the charge density of coupled quantum plasmons. These results would be beneficial for the understanding of quantum effects on emitting-polarization of nanoantennas and the development of quantum-based photonic nanodevices.

Localized magnetoplasmons in quantum dots: Scrutinizing the eligibility of FIR, Raman, and electron energy-loss spectroscopies

NASA Astrophysics Data System (ADS)

Kushwaha, M.

We report on a one-component, quasi-zero dimensional, quantum plasma exposed to a parabolic potential and an applied magnetic field in the symmetric gauge. If the size of such a system as can be realized in the semiconducting quantum dots is on the order of the de-Broglie wavelength, the electronic and optical properties become highly tunable. Then the quantum size effects challenge the observation of many-particle phenomena such as the magneto-optical absorption, Raman intensity, and electron-energy-loss spectrum. An exact analytical solution of the problem leads us to infer that these many-particle phenomena are, in fact, dictated by the generalized Kohn's theorem in the long-wavelength limit. Maneuvering the confinement and/or the magnetic field furnishes the resonance energy capable of being explored with the FIR, Raman, or electron-energy-loss spectroscopy. This implies that either of these probes should be competent in observing the localized magnetoplasmons in the system. A deeper insight into the physics of quantum dots is paving the way for their implementation in such diverse fields as quantum computing and medical imaging1. 1. M.S. Kushwaha, Unpublished.

Simple way to calculate a UV-finite one-loop quantum energy in the Randall-Sundrum model

NASA Astrophysics Data System (ADS)

Altshuler, Boris L.

2017-04-01

The surprising simplicity of Barvinsky-Nesterov or equivalently Gelfand-Yaglom methods of calculation of quantum determinants permits us to obtain compact expressions for a UV-finite difference of one-loop quantum energies for two arbitrary values of the parameter of the double-trace asymptotic boundary conditions. This result generalizes the Gubser and Mitra calculation for the particular case of difference of "regular" and "irregular" one-loop energies in the one-brane Randall-Sundrum model. The approach developed in the paper also allows us to get "in one line" the one-loop quantum energies in the two-brane Randall-Sundrum model. The relationship between "one-loop" expressions corresponding to the mixed Robin and to double-trace asymptotic boundary conditions is traced.

Quantum work and the thermodynamic cost of quantum measurements

DOE PAGES

Deffner, Sebastian; Paz, Juan Pablo; Zurek, Wojciech H.

2016-07-07

Quantum work is usually determined from two projective measurements of the energy at the beginning and at the end of a thermodynamic process. However, this paradigm cannot be considered thermodynamically consistent as it does not account for the thermodynamic cost of these measurements. To remedy this conceptual inconsistency we introduce a paradigm that relies only on the expected change of the average energy given the initial energy eigenbasis. In particular, we completely omit quantum measurements in the definition of quantum work, and hence quantum work is identified as a thermodynamic quantity of only the system. As main results we derivemore » a modified quantum Jarzynski equality and a sharpened maximum work theorem in terms of the information free energy. Lastly, a comparison of our results with the standard approach allows one to quantify the informational cost of projective measurements.« less

Free-energy landscapes from adaptively biased methods: Application to quantum systems

NASA Astrophysics Data System (ADS)

Calvo, F.

2010-10-01

Several parallel adaptive biasing methods are applied to the calculation of free-energy pathways along reaction coordinates, choosing as a difficult example the double-funnel landscape of the 38-atom Lennard-Jones cluster. In the case of classical statistics, the Wang-Landau and adaptively biased molecular-dynamics (ABMD) methods are both found efficient if multiple walkers and replication and deletion schemes are used. An extension of the ABMD technique to quantum systems, implemented through the path-integral MD framework, is presented and tested on Ne38 against the quantum superposition method.

Synthesis and Exciton Dynamics of Donor-Orthogonal Acceptor Conjugated Polymers: Reducing the Singlet-Triplet Energy Gap.

PubMed

Freeman, David M E; Musser, Andrew J; Frost, Jarvist M; Stern, Hannah L; Forster, Alexander K; Fallon, Kealan J; Rapidis, Alexandros G; Cacialli, Franco; McCulloch, Iain; Clarke, Tracey M; Friend, Richard H; Bronstein, Hugo

2017-08-16

The presence of energetically low-lying triplet states is a hallmark of organic semiconductors. Even though they present a wealth of interesting photophysical properties, these optically dark states significantly limit optoelectronic device performance. Recent advances in emissive charge-transfer molecules have pioneered routes to reduce the energy gap between triplets and "bright" singlets, allowing thermal population exchange between them and eliminating a significant loss channel in devices. In conjugated polymers, this gap has proved resistant to modification. Here, we introduce a general approach to reduce the singlet-triplet energy gap in fully conjugated polymers, using a donor-orthogonal acceptor motif to spatially separate electron and hole wave functions. This new generation of conjugated polymers allows for a greatly reduced exchange energy, enhancing triplet formation and enabling thermally activated delayed fluorescence. We find that the mechanisms of both processes are driven by excited-state mixing between π-π*and charge-transfer states, affording new insight into reverse intersystem crossing.

Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

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

Engel, Edgar A., E-mail: eae32@cam.ac.uk; Needs, Richard J.; Monserrat, Bartomeu

2015-12-28

Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from −1.5 to −1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of −1.2 to −1.4 eV. Vibrations reduce the differences between the electronic band gapsmore » of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 − 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.« less

Colossal terahertz nonlinearity of tunneling van der Waals gap (Conference Presentation)

NASA Astrophysics Data System (ADS)

Bahk, Young-Mi; Kang, Bong Joo; Kim, Yong Seung; Kim, Joon-Yeon; Kim, Won Tae; Kim, Tae Yun; Kang, Taehee; Rhie, Ji Yeah; Han, Sanghoon; Park, Cheol-Hwan; Rotermund, Fabian; Kim, Dai-Sik

2016-09-01

We manufactured an array of three angstrom-wide, five millimeter-long van der Waals gaps of copper-graphene-copper composite, in which unprecedented nonlinearity was observed. To probe and manipulate van der Waals gaps with long wavelength electromagnetic waves such as terahertz waves, one is required to fabricate vertically oriented van der Waals gaps sandwiched between two metal planes with an infinite length in the sense of being much larger than any of the wavelengths used. By comparison with the simple vertical stacking of metal-graphene-metal structure, in our structure, background signals are completely blocked enabling all the light to squeeze through the gap without any strays. When the angstrom-sized van der Waals gaps are irradiated with intense terahertz pulses, the transient voltage across the gap reaches up to 5 V with saturation, sufficiently strong to deform the quantum barrier of angstrom gaps. The large transient potential difference across the gap facilitates electron tunneling through the quantum barrier, blocking terahertz waves completely. This negative feedback of electron tunneling leads to colossal nonlinear optical response, a 97% decrease in the normalized transmittance. Our technology for infinitely long van der Waals gaps can be utilized for other atomically thin materials than single layer graphene, enabling linear and nonlinear angstrom optics in a broad spectral range.

Non-Poissonian Quantum Jumps of a Fluxonium Qubit due to Quasiparticle Excitations

NASA Astrophysics Data System (ADS)

Vool, U.; Pop, I. M.; Sliwa, K.; Abdo, B.; Wang, C.; Brecht, T.; Gao, Y. Y.; Shankar, S.; Hatridge, M.; Catelani, G.; Mirrahimi, M.; Frunzio, L.; Schoelkopf, R. J.; Glazman, L. I.; Devoret, M. H.

2014-12-01

As the energy relaxation time of superconducting qubits steadily improves, nonequilibrium quasiparticle excitations above the superconducting gap emerge as an increasingly relevant limit for qubit coherence. We measure fluctuations in the number of quasiparticle excitations by continuously monitoring the spontaneous quantum jumps between the states of a fluxonium qubit, in conditions where relaxation is dominated by quasiparticle loss. Resolution on the scale of a single quasiparticle is obtained by performing quantum nondemolition projective measurements within a time interval much shorter than T1 , using a quantum-limited amplifier (Josephson parametric converter). The quantum jump statistics switches between the expected Poisson distribution and a non-Poissonian one, indicating large relative fluctuations in the quasiparticle population, on time scales varying from seconds to hours. This dynamics can be modified controllably by injecting quasiparticles or by seeding quasiparticle-trapping vortices by cooling down in a magnetic field.

Helical quantum states in HgTe quantum dots with inverted band structures.

PubMed

Chang, Kai; Lou, Wen-Kai

2011-05-20

We investigate theoretically the electron states in HgTe quantum dots (QDs) with inverted band structures. In sharp contrast to conventional semiconductor quantum dots, the quantum states in the gap of the HgTe QD are fully spin-polarized and show ringlike density distributions near the boundary of the QD and spin-angular momentum locking. The persistent charge currents and magnetic moments, i.e., the Aharonov-Bohm effect, can be observed in such a QD structure. This feature offers us a practical way to detect these exotic ringlike edge states by using the SQUID technique.

Free Energy Gap and Statistical Thermodynamic Fidelity of DNA Codes

DTIC Science & Technology

2007-10-01

reverse-complement unless otherwise stated. For strand x, let Nx denote its complement. A (perfect) Watson - Crick duplex is the joining of complement...is possible for complementary sequences to form a non-perfectly aligned duplex, we will call any x W Nx duplex a Watson - Crick (WC) duplex. Two...DATES COVERED (From - To) 4. TITLE AND SUBTITLE FREE ENERGY GAP AND STATISTICAL THERMODYNAMIC FIDELITY OF DNA CODES 5a. CONTRACT NUMBER FA8750-07

The influence of Unruh effect on quantum steering for accelerated two-level detectors with different measurements

NASA Astrophysics Data System (ADS)

Liu, Tonghua; Wang, Jieci; Jing, Jiliang; Fan, Heng

2018-03-01

We propose a tight measure of quantum steering and study the dynamics of steering in a relativistic setting via different quantifiers. We present the dynamics of steering between two correlated Unruh-Dewitt detectors when one of them locally interacts with external scalar field. We find that the quantum steering, either measured by the entropic steering inequality or the Cavalcanti-Jones-Wiseman-Reid inequality, is fragile under the influence of Unruh thermal noise. The quantum steering is found always asymmetric and the asymmetry is extremely sensitive to the initial state parameter. In addition, the steering-type quantum correlations experience "sudden death" for some accelerations, which are quite different from the behaviors of other quantum correlations in the same system. It is worth noting that the domination value of the tight quantum steering exists a transformation point with increasing acceleration. We also find that the robustness of quantum steerability under the Unruh thermal noise can be realized by choosing the smallest energy gap in the detectors.

Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

NASA Astrophysics Data System (ADS)

Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

2016-02-01

The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

Stable topological insulators achieved using high energy electron beams

PubMed Central

Zhao, Lukas; Konczykowski, Marcin; Deng, Haiming; Korzhovska, Inna; Begliarbekov, Milan; Chen, Zhiyi; Papalazarou, Evangelos; Marsi, Marino; Perfetti, Luca; Hruban, Andrzej; Wołoś, Agnieszka; Krusin-Elbaum, Lia

2016-01-01

Topological insulators are potentially transformative quantum solids with metallic surface states which have Dirac band structure and are immune to disorder. Ubiquitous charged bulk defects, however, pull the Fermi energy into the bulk bands, denying access to surface charge transport. Here we demonstrate that irradiation with swift (∼2.5 MeV energy) electron beams allows to compensate these defects, bring the Fermi level back into the bulk gap and reach the charge neutrality point (CNP). Controlling the beam fluence, we tune bulk conductivity from p- (hole-like) to n-type (electron-like), crossing the Dirac point and back, while preserving the Dirac energy dispersion. The CNP conductance has a two-dimensional character on the order of ten conductance quanta and reveals, both in Bi2Te3 and Bi2Se3, the presence of only two quantum channels corresponding to two topological surfaces. The intrinsic quantum transport of the topological states is accessible disregarding the bulk size. PMID:26961901

Evidence of quantum phase transition in real-space vacuum entanglement of higher derivative scalar quantum field theories.

PubMed

Kumar, S Santhosh; Shankaranarayanan, S

2017-11-17

In a bipartite set-up, the vacuum state of a free Bosonic scalar field is entangled in real space and satisfies the area-law- entanglement entropy scales linearly with area of the boundary between the two partitions. In this work, we show that the area law is violated in two spatial dimensional model Hamiltonian having dynamical critical exponent z = 3. The model physically corresponds to next-to-next-to-next nearest neighbour coupling terms on a lattice. The result reported here is the first of its kind of violation of area law in Bosonic systems in higher dimensions and signals the evidence of a quantum phase transition. We provide evidence for quantum phase transition both numerically and analytically using quantum Information tools like entanglement spectra, quantum fidelity, and gap in the energy spectra. We identify the cause for this transition due to the accumulation of large number of angular zero modes around the critical point which catalyses the change in the ground state wave function due to the next-to-next-to-next nearest neighbor coupling. Lastly, using Hubbard-Stratanovich transformation, we show that the effective Bosonic Hamiltonian can be obtained from an interacting fermionic theory and provide possible implications for condensed matter systems.

MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfaces

NASA Astrophysics Data System (ADS)

Richings, Gareth W.; Habershon, Scott

2018-04-01

We present significant algorithmic improvements to a recently proposed direct quantum dynamics method, based upon combining well established grid-based quantum dynamics approaches and expansions of the potential energy operator in terms of a weighted sum of Gaussian functions. Specifically, using a sum of low-dimensional Gaussian functions to represent the potential energy surface (PES), combined with a secondary fitting of the PES using singular value decomposition, we show how standard grid-based quantum dynamics methods can be dramatically accelerated without loss of accuracy. This is demonstrated by on-the-fly simulations (using both standard grid-based methods and multi-configuration time-dependent Hartree) of both proton transfer on the electronic ground state of salicylaldimine and the non-adiabatic dynamics of pyrazine.

Quantum Field Energy Sensor based on the Casimir Effect

NASA Astrophysics Data System (ADS)

Ludwig, Thorsten

The Casimir effect converts vacuum fluctuations into a measurable force. Some new energy technologies aim to utilize these vacuum fluctuations in commonly used forms of energy like electricity or mechanical motion. In order to study these energy technologies it is helpful to have sensors for the energy density of vacuum fluctuations. In today's scientific instrumentation and scanning microscope technologies there are several common methods to measure sub-nano Newton forces. While the commercial atomic force microscopes (AFM) mostly work with silicon cantilevers, there are a large number of reports on the use of quartz tuning forks to get high-resolution force measurements or to create new force sensors. Both methods have certain advantages and disadvantages over the other. In this report the two methods are described and compared towards their usability for Casimir force measurements. Furthermore a design for a quantum field energy sensor based on the Casimir force measurement will be described. In addition some general considerations on extracting energy from vacuum fluctuations will be given.

Impact of interactive engagement on reducing the gender gap in quantum physics learning outcomes among senior secondary school students

NASA Astrophysics Data System (ADS)

Adesina Adegoke, Benson

2012-07-01

In this study, the author examines the extent to which an interactive engagement approach can reduce the gender gap in senior secondary school (SSS) (age 16-18 years) students' learning outcomes in quantum physics. One hundred and twenty one (male = 65; female = 56) SSS 3 students participated in this study. They were randomly selected from two senior secondary schools from the Ibadan North Local Government Area, Oyo State, Nigeria. There were two groups: the experimental group (interactive engagement) and the control group (traditional lecture method). Prior to the commencement of the experiment, students' scores in a previous examination conducted by their schools were collected and analysed. This was to determine the extent to which gender disparity had been narrowed after the experiment. Three hypotheses were tested. The data collected were analysed using analysis of covariance (ANCOVA). The results show that, generally, the students in the interactive engagement group had higher mean scores in the quantum physics achievement test than their colleagues in the control group. Among the participants in the interactive engagement group, female students had a slightly higher mean score than their male counterparts. These results show that with interactive engagement, gender disparity in quantum physics learning outcomes among students can be narrowed. The author recommends that physics teachers should adopt an interactive engagement approach in physics classes.

Energy states, transport, and magnetotransport in diluted magnetic semiconductor (Ga, Mn)As with quantum well InGaAs.

PubMed

Shchurova, L Yu; Kulbachinskii, V A

2011-03-01

We investigate energy levels, thermodynamic, transport and magnetotransport properties of holes in GaAs structure with quantum well InGaAs delta-doped by C and Mn. We present self-consistent calculations for energy levels in the quantum well for different degrees of ionization of Mn impurity. The magnetoresistance of holes in the quantum well is calculated. We explain observed negative magnetoresistance by the reduction of spin-flip scattering on magnetic ions due to aligning of spins with magnetic field.

Förster Resonance Energy Transfer between Quantum Dot Donors and Quantum Dot Acceptors

PubMed Central

Chou, Kenny F.; Dennis, Allison M.

2015-01-01

Förster (or fluorescence) resonance energy transfer amongst semiconductor quantum dots (QDs) is reviewed, with particular interest in biosensing applications. The unique optical properties of QDs provide certain advantages and also specific challenges with regards to sensor design, compared to other FRET systems. The brightness and photostability of QDs make them attractive for highly sensitive sensing and long-term, repetitive imaging applications, respectively, but the overlapping donor and acceptor excitation signals that arise when QDs serve as both the donor and acceptor lead to high background signals from direct excitation of the acceptor. The fundamentals of FRET within a nominally homogeneous QD population as well as energy transfer between two distinct colors of QDs are discussed. Examples of successful sensors are highlighted, as is cascading FRET, which can be used for solar harvesting. PMID:26057041

Independent tuning of excitonic emission energy and decay time in single semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Höfer, B.; Zhang, J.; Wildmann, J.; Zallo, E.; Trotta, R.; Ding, F.; Rastelli, A.; Schmidt, O. G.

2017-04-01

Independent tuning of emission energy and decay time of neutral excitons confined in single self-assembled In(Ga)As/GaAs quantum dots is achieved by simultaneously employing vertical electric fields and lateral biaxial strain fields. By locking the emission energy via a closed-loop feedback on the piezoelectric actuator used to control the strain in the quantum dot, we continuously decrease the decay time of an exciton from 1.4 to 0.7 ns. Both perturbations are fully electrically controlled and their combination offers a promising route to engineer the indistinguishability of photons emitted from spatially separated single photon sources.

Photo-conductance of a single Quantum Dot

NASA Astrophysics Data System (ADS)

Zimmers, Alexandre; Wang, Hongyue; Lhuillier, Emmanuel; Yu, Qian; Dubertret, Benoit; Aubin, Herve; Ulysse, Christian; LPEM Collaboration

One promising strategy for the development of nanoscale resonant spin sensors is to measure the spin-dependent photo-current in Quantum Dots (QDots) containing spin-dependent recombination centers. To reach single spin sensitivity will require measurements of the photo-conductance of single QDots. We present here an experimental study of the conductance and photo-conductance of single HgSe QDots as function of drain and gate voltage. The evolution of the differential conductance dI/dV spectrum with the gate voltage demonstrates that single HgSe QDots are forming the junction. The amplitude of the gap measured in the differential conductance spectrum changes with the occupation level. A large inter-band gap, 0,85eV, is observed for the empty QDot, a smaller intra-band gap 0,25eV is observed for the doubly occupied QDot. These gap energies are consistent with the values extracted from the optical absorption spectrum. Upon illuminating the QDot junction, we show that the photo-conductive signal produced by this single QDot can be measured with a simple demodulation method. ANR Grant ''QUANTICON'' 10-0409-01 / DIM Nano-K / Chinese Scholarship Council.

Multi-domain electromagnetic absorption of triangular quantum rings

NASA Astrophysics Data System (ADS)

Sitek, Anna; Thorgilsson, Gunnar; Gudmundsson, Vidar; Manolescu, Andrei

2016-06-01

We present a theoretical study of the unielectronic energy spectra, electron localization, and optical absorption of triangular core-shell quantum rings. We show how these properties depend on geometric details of the triangle, such as side thickness or corners’ symmetry. For equilateral triangles, the lowest six energy states (including spin) are grouped in an energy shell, are localized only around corner areas, and are separated by a large energy gap from the states with higher energy which are localized on the sides of the triangle. The energy levels strongly depend on the aspect ratio of the triangle sides, i.e., thickness/length ratio, in such a way that the energy differences are not monotonous functions of this ratio. In particular, the energy gap between the group of states localized in corners and the states localized on the sides strongly decreases with increasing the side thickness, and then slightly increases for thicker samples. With increasing the thickness the low-energy shell remains distinct but the spatial distribution of these states spreads. The behavior of the energy levels and localization leads to a thickness-dependent absorption spectrum where one transition may be tuned in the THz domain and a second transition can be tuned from THz to the infrared range of electromagnetic spectrum. We show how these features may be further controlled with an external magnetic field. In this work the electron-electron Coulomb repulsion is neglected.

Multi-domain electromagnetic absorption of triangular quantum rings.

PubMed

Sitek, Anna; Thorgilsson, Gunnar; Gudmundsson, Vidar; Manolescu, Andrei

2016-06-03

We present a theoretical study of the unielectronic energy spectra, electron localization, and optical absorption of triangular core-shell quantum rings. We show how these properties depend on geometric details of the triangle, such as side thickness or corners' symmetry. For equilateral triangles, the lowest six energy states (including spin) are grouped in an energy shell, are localized only around corner areas, and are separated by a large energy gap from the states with higher energy which are localized on the sides of the triangle. The energy levels strongly depend on the aspect ratio of the triangle sides, i.e., thickness/length ratio, in such a way that the energy differences are not monotonous functions of this ratio. In particular, the energy gap between the group of states localized in corners and the states localized on the sides strongly decreases with increasing the side thickness, and then slightly increases for thicker samples. With increasing the thickness the low-energy shell remains distinct but the spatial distribution of these states spreads. The behavior of the energy levels and localization leads to a thickness-dependent absorption spectrum where one transition may be tuned in the THz domain and a second transition can be tuned from THz to the infrared range of electromagnetic spectrum. We show how these features may be further controlled with an external magnetic field. In this work the electron-electron Coulomb repulsion is neglected.

A "Stepping Stone" Approach for Obtaining Quantum Free Energies of Hydration.

PubMed

Sampson, Chris; Fox, Thomas; Tautermann, Christofer S; Woods, Christopher; Skylaris, Chris-Kriton

2015-06-11

We present a method which uses DFT (quantum, QM) calculations to improve free energies of binding computed with classical force fields (classical, MM). To overcome the incomplete overlap of configurational spaces between MM and QM, we use a hybrid Monte Carlo approach to generate quickly correct ensembles of structures of intermediate states between a MM and a QM/MM description, hence taking into account a great fraction of the electronic polarization of the quantum system, while being able to use thermodynamic integration to compute the free energy of transition between the MM and QM/MM. Then, we perform a final transition from QM/MM to full QM using a one-step free energy perturbation approach. By using QM/MM as a stepping stone toward the full QM description, we find very small convergence errors (<1 kJ/mol) in the transition to full QM. We apply this method to compute hydration free energies, and we obtain consistent improvements over the MM values for all molecules we used in this study. This approach requires large-scale DFT calculations as the full QM systems involved the ligands and all waters in their simulation cells, so the linear-scaling DFT code ONETEP was used for these calculations.

Quantum Phenomena in High Energy Density Plasmas

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

Murnane, Margaret; Kapteyn, Henry

The possibility of implementing efficient (phase matched) HHG upconversion of deep- UV lasers in multiply-ionized plasmas, with potentially unprecedented conversion efficiency is a fascinating prospect. HHG results from the extreme nonlinear response of matter to intense laser light:high harmonics are radiated as a result of a quantum coherent electron recollision process that occurs during laser field ionization of an atom. Under current support from this grant in work published in Science in 2015, we discovered a new regime of bright HHG in highly-ionized plasmas driven by intense UV lasers, that generates bright harmonics to photon energies >280eV

Optical detection of symmetric and antisymmetric states in double quantum wells at room temperature

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Marcelli, A.; Piccinini, M.; Cebulski, J.

2009-09-01

We studied the optical reflectivity of a specially grown double quantum well (DQW) structure characterized by a rectangular shape and a high electron density at room temperature. Assuming that the QWs depth is known, reflectivity spectra in the mid-IR range allow to carry out the precise measurements of the SAS-gap values (the energy gap between the symmetric and anti-symmetric states) and the absolute energies of both symmetric and antisymmetric electron states. The results of our experiments are in favor of the existence of the SAS splitting in the DQWs at room temperature. Here we have shown that the SAS gap increases proportionally to the subband quantum number and the optical electron transitions between symmetric and antisymmetric states belonging to different subbands are allowed. These results were used for interpretation of the beating effect in the Shubnikov-de Haas (SdH) oscillations at low temperatures (0.6 and 4.2 K). The approach to the calculation of the Landau-levels energies for DQW structures developed earlier [D. Ploch , Phys. Rev. B 79, 195434 (2009)] is used for the analysis and interpretation of the experimental data related to the beating effect. We also argue that in order to explain the beating effect in the SdH oscillations, one should introduce two different quasi-Fermi levels characterizing the two electron subsystems regarding symmetry properties of their wave functions, symmetric and antisymmetric ones. These states are not mixed neither by electron-electron interaction nor probably by electron-phonon interaction.

Design of single-winding energy-storage reactors for dc-to-dc converters using air-gapped magnetic-core structures

NASA Technical Reports Server (NTRS)

Ohri, A. K.; Wilson, T. G.; Owen, H. A., Jr.

1977-01-01

A procedure is presented for designing air-gapped energy-storage reactors for nine different dc-to-dc converters resulting from combinations of three single-winding power stages for voltage stepup, current stepup and voltage stepup/current stepup and three controllers with control laws that impose constant-frequency, constant transistor on-time and constant transistor off-time operation. The analysis, based on the energy-transfer requirement of the reactor, leads to a simple relationship for the required minimum volume of the air gap. Determination of this minimum air gap volume then permits the selection of either an air gap or a cross-sectional core area. Having picked one parameter, the minimum value of the other immediately leads to selection of the physical magnetic structure. Other analytically derived equations are used to obtain values for the required turns, the inductance, and the maximum rms winding current. The design procedure is applicable to a wide range of magnetic material characteristics and physical configurations for the air-gapped magnetic structure.

High Efficiency Quantum Well Waveguide Solar Cells and Methods for Constructing the Same

NASA Technical Reports Server (NTRS)

Sood, Ashok K. (Inventor); Welser, Roger E. (Inventor)

2014-01-01

Photon absorption, and thus current generation, is hindered in conventional thin-film solar cell designs, including quantum well structures, by the limited path length of incident light passing vertically through the device. Optical scattering into lateral waveguide structures provides a physical mechanism to increase photocurrent generation through in-plane light trapping. However, the insertion of wells of high refractive index material with lower energy gap into the device structure often results in lower voltage operation, and hence lower photovoltaic power conversion efficiency. The voltage output of an InGaAs quantum well waveguide photovoltaic device can be increased by employing a III-V material structure with an extended wide band gap emitter heterojunction. Analysis of the light IV characteristics reveals that non-radiative recombination components of the underlying dark diode current have been reduced, exposing the limiting radiative recombination component and providing a pathway for realizing solar-electric conversion efficiency of 30% or more in single junction cells.

Development and study of charge sensors for fast charge detection in quantum dots

NASA Astrophysics Data System (ADS)

Thalakulam, Madhu

Charge detection at microsecond time-scales has far reaching consequences in both technology and in our understanding of electron dynamics in nanoscale devices such as quantum dots. Radio-frequency superconducting single electron transistors (RF-SET) and quantum point contacts (QPC) are ultra sensitive charge sensors operating near the quantum limit. The operation of RF-SETs outside the superconducting gap has been a topic of study; the sub-gap operation, especially in the presence of large quantum fluctuations of quasiparticles remains largely unexplored, both theoretically and experimentally. We have investigated the effects of quantum fluctuations of quasiparticles on the operation of RF-SETs for large values of the quasiparticle cotunneling parameter alpha = 8EJ/Ec, where EJ and Ec are the Josephson and charging energies. We find that, for alpha > 1, sub-gap RF-SET operation is still feasible despite quantum fluctuations that wash out quasiparticle tunneling thresholds. Such RF-SETs show linearity and signal-to-noise ratio superior to those obtained when quantum fluctuations are weak, while still demonstrating excellent charge sensitivity. We have operated a QPC charge detector in a radio frequency mode that allows fast charge detection in a bandwidth of several megahertz. The noise limiting the sensitivity of the charge detector is not the noise of a secondary amplifier, but the non-equilibrium device noise of the QPC itself. The noise power averaged over a measurement bandwidth of about 10MHz around the carrier frequency is in agreement with the theory of photon-assisted shot noise. Frequency-resolved measurements, however show several significant discrepancies with the theoretical predictions. The measurement techniques developed can also be used to investigate the noise of other semiconductor nanostructures such as quantum dots in the Kondo regime. A study of the noise characteristics alone can not determine whether the device is operating at the quantum