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Sample records for 1h multiple quantum

  1. A statistical approach for analyzing the development of 1H multiple-quantum coherence in solids.

    PubMed

    Mogami, Yuuki; Noda, Yasuto; Ishikawa, Hiroto; Takegoshi, K

    2013-05-21

    A novel statistical approach for analyzing (1)H multiple-quantum (MQ) spin dynamics in so-called spin-counting solid-state NMR experiments is presented. The statistical approach is based on the percolation theory with Monte Carlo methods and is examined by applying it to the experimental results of three solid samples having unique hydrogen arrangement for 1-3 dimensions: the n-alkane/d-urea inclusion complex as a one-dimensional (1D) system, whose (1)H nuclei align approximately in 1D, and magnesium hydroxide and adamantane as a two-dimensional (2D) and a three-dimensional (3D) system, respectively. Four lattice models, linear, honeycomb, square and cubic, are used to represent the (1)H arrangement of the three samples. It is shown that the MQ dynamics in adamantane is consistent with that calculated using the cubic lattice and that in Mg(OH)2 with that calculated using the honeycomb and the square lattices. For n-C20H42/d-urea, these 4 lattice models fail to express its result. It is shown that a more realistic model representing the (1)H arrangement of n-C20H42/d-urea can describe the result. The present approach can thus be used to determine (1)H arrangement in solids. PMID:23580152

  2. Probing degradation in complex engineering silicones by 1H multiple quantum NMR

    SciTech Connect

    Maxwell, R S; Chinn, S C; Giuliani, J; Herberg, J L

    2007-09-05

    Static {sup 1}H Multiple Quantum Nuclear Magnetic Resonance (MQ NMR) has recently been shown to provide detailed insight into the network structure of pristine silicon based polymer systems. The MQ NMR method characterizes the residual dipolar couplings of the silicon chains that depend on the average molecular weight between physical or chemical constraints. Recently, we have employed MQ NMR methods to characterize the changes in network structure in a series of complex silicone materials subject to numerous degradation mechanisms, including thermal, radiative, and desiccative. For thermal degradation, MQ NMR shows that a combination of crosslinking due to post-curing reactions as well as random chain scissioning reactions occurs. For radiative degradation, the primary mechanisms are via crosslinking both in the network and at the interface between the polymer and the inorganic filler. For samples stored in highly desiccating environments, MQ NMR shows that the average segmental dynamics are slowed due to increased interactions between the filler and the network polymer chains.

  3. Thermal degradation in a trimodal PDMS network by 1H Multiple Quantum NMR

    SciTech Connect

    Giuliani, J R; Gjersing, E L; Chinn, S C; Jones, T V; Wilson, T S; Alviso, C T; Herberg, J L; Pearson, M A; Maxwell, R S

    2007-06-06

    Thermal degradation of a filled, crosslinked siloxane material synthesized from PDMS chains of three different average molecular weights and with two different crosslinking species has been studied by {sup 1}H Multiple Quantum (MQ) NMR methods. Multiple domains of polymer chains were detected by MQ NMR exhibiting Residual Dipolar Coupling (<{Omega}{sub d}>) values of 200 Hz and 600 Hz, corresponding to chains with high average molecular weight between crosslinks and chains with low average molecular weight between crosslinks or near the multifunctional crosslinking sites. Characterization of the <{Omega}{sub d}> values and changes in <{Omega}{sub d}> distributions present in the material were studied as a function of time at 250 C and indicates significant time dependent degradation. For the domains with low <{Omega}{sub d}>, a broadening in the distribution was observed with aging time. For the domain with high <{Omega}{sub d}>, increases in both the mean <{Omega}{sub d}> and the width in <{Omega}{sub d}> were observed with increasing aging time. Isothermal Thermal Gravimetric Analysis (TGA) reveals a 3% decrease in weight over 20 hours of aging at 250 C. Degraded samples also were analyzed by traditional solid state {sup 1}H NMR techniques and offgassing products were identified by Solid Phase MicroExtraction followed by Gas Chromatography-Mass Spectrometry (SPME GC-MS). The results, which will be discussed here, suggest that thermal degradation proceeds by complex competition between oxidative chain scissioning and post-curing crosslinking that both contribute to embrittlement.

  4. Hydrogen cluster/network in tobermorite as studied by multiple-quantum spin counting {sup 1}H NMR

    SciTech Connect

    Mogami, Yuuki; Yamazaki, Satoru; Matsuno, Shinya; Matsui, Kunio; Noda, Yasuto; Takegoshi, K.

    2014-12-15

    Proton multiple-quantum (MQ) spin-counting experiment has been employed to study arrangement of hydrogen atoms in 9 Å/11 Å natural/synthetic tobermorites. Even though all tobermorite samples give similar characterless, broad static-powder {sup 1}H NMR spectra, their MQ spin-counting spectra are markedly different; higher quanta in 11 Å tobermorite do not grow with the MQ excitation time, while those in 9 Å one do. A statistical analysis of the MQ results recently proposed [26] is applied to show that hydrogens align in 9 Å tobermorite one dimensionally, while in 11 Å tobermorite they exist as a cluster of 5–8 hydrogen atoms.

  5. Investigation of network heterogeneities in filled, trimodal, highly functional PDMS networks by 1H Multiple Quantum NMR

    SciTech Connect

    Gjersing, E; Chinn, S; Maxwell, R S; Herberg, J; Eastwood, E; Bowen, D; Stephens, T

    2006-09-06

    The segmental order and dynamics of polymer network chains in a filled, tri-modal silicone network have been studied by static 1H Multiple Quantum (MQ) NMR methods to gain insight into the structure property relationships. The materials were synthesized with two different types of crosslinks, with functionalities of 4 and near 60. The network chains were composed of distributions of high, low, and medium molecular weight chains. Crosslinking was accomplished by standard acid catalyzed reactions. MQ NMR methods have detected domains with residual dipolar couplings (<{Omega}{sub d}>) of near 4 kRad/s and 1 kRad/s assigned to (a) the shorter polymer chains and chains near the multifunctional ({phi}=60) crosslinking sites and to (b) the longer polymer chains far from these sites. Three structural variables were systematically varied and the mechanical properties and distributions of residual dipolar couplings measured in order to gain insight in to the network structural motifs that contribute significantly to the composite properties. The partitioning of and the average values of the residual dipolar couplings for the two domains were observed to be dependent on formulation variable and provided increased insight into the mechanical properties of these materials which are unavailable from swelling and spin-echo methods. The results of this study suggest that the domains with high crosslink density contribute significantly to the high strain modulus, while the low crosslink density domains do not. This is in agreement with theories and experimental studies on silicone bimodal networks over the last 20 years. In-situ MQ-NMR of swollen sample suggests that the networks deform non-affinely, in agreement with theory. The NMR experiments shown here provide increased ability to characterize multimodal networks of typical engineering silicone materials and to gain significant insight into structure-property relationships.

  6. Investigation of network heterogeneities in filled, trimodal, highly functional PDMS networks by 1H Multiple Quantum NMR

    SciTech Connect

    Maxwell, R; Gjersing, E; Chinn, S; Giuliani, J; Herberg, J; Eastwood, E; Bowen, D; Stephens, T

    2007-03-20

    The segmental order and dynamics of polymer network chains in a filled, tri-modal silicone foam network have been studied by static 1H Multiple Quantum (MQ) NMR methods to gain insight into the structure property relationships. The foam materials were synthesized with two different types of crosslinks, with functionalities, {phi}, of 4 and near 60. The network chains were composed of distributions of high, low, and medium molecular weight chains. Crosslinking was accomplished by standard acid catalyzed reactions. MQ NMR methods have detected domains with residual dipolar couplings (<{Omega}{sub d}>) of near 4 kRad/s and 1 kRad/s assigned to (a) the shorter polymer chains and chains near the multifunctional (f=60) crosslinking sites and to (b) the longer polymer chains far from these sites. Three structural variables were systematically varied and the mechanical properties via compression and distributions of residual dipolar couplings measured in order to gain insight in to the network structural motifs that contribute significantly to the composite properties. The partitioning of and the average values of the residual dipolar couplings for the two domains were observed to be dependent on formulation variable and provided increased insight into the network structure of these materials which are unavailable from swelling and spin-echo methods. The results of this study suggest that the domains with high crosslink density contribute significantly to the high strain modulus, while the low crosslink density domains do not. This is in agreement with theories and experimental studies on silicone bimodal networks over the last 20 years. In-situ MQ-NMR of swollen sample suggests that the networks deform heterogeneously and non-affinely. The heterogeneity of the deformation process was observed to depend on the amount of the high functionality crosslinking site PMHS. The NMR experiments shown here provide increased ability to characterize multimodal networks of typical

  7. Selective observation of biologically important 15N-labeled metabolites in isolated rat brain and liver by 1H-detected multiple-quantum-coherence spectroscopy

    NASA Astrophysics Data System (ADS)

    Kanamori, Keiko; Ross, Brian D.; Parivar, Farhad

    Four cerebral metabolites of importance in neurotransmission, serotonin, L-tryptophan, L-glutamine, and N-acetyl- L-aspartate, and two hepatic urea-cycle intermediates, citrulline and urea, were found to be observable by 1H- 15N heteronuclear multiple-quantum-coherence (HMQC) spectroscopy in aqueous solution at physiological pH and temperature, through the protons spin-coupled to their indole, amide, or ureido nitrogen. Their 1H chemical shifts were well dispersed over a 5-10 ppm region while the 1J 15N- 1H values were 87-99 Hz. For [γ- 15N]glutamine, a 50- to 100-fold increase in sensitivity over direct 15N detection was achieved, in contrast to a 2-fold increase by the polarization-transfer method. In the isolated brain of portacaval-shunted rats, the amide protons of biologically 15N-enriched [γ- 15N]glutamine were observed in 2 min of acquisition, with suppression of proton signals from all other cerebral metabolites. In isolated liver of 15N-enriched control rats, [ 15NIurea protons were observed in 16 min. The HMQC method is likely to be effective for the in vivo study of cerebral and hepatic nitrogen metabolism.

  8. Localized double-quantum-filtered 1H NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Thomas, M. A.; Hetherington, H. P.; Meyerhoff, D. J.; Twieg, D. B.

    The image-guided in vivo spectroscopic (ISIS) pulse sequence has been combined with a double-quantum-filter scheme in order to obtain localized and water-suppressed 1H NMR spectra of J-coupled metabolites. The coherence-transfer efficiency associated with the DQ filter for AX and A 3X spin systems is described. Phantom results of carnosine, alanine, and ethanol in aqueous solution are presented. For comparison, the 1H NMR spectrum of alanine in aqueous solution with the binomial (1331, 2662) spin-echo sequence is also shown.

  9. Multiple-quantum NMR in solids

    NASA Astrophysics Data System (ADS)

    Yen, Yu-Sze; Pines, A.

    1983-03-01

    Multiple-quantum NMR has typically been observed in small groups of spins in isolated molecules. Due to the profusion of spin transitions in a solid, individual lines are unresolved. Excitation of high quantum transitions by normal schemes is thus difficult. To ensure that overlapping lines add constructively and to enhance sensitivity, time-reversal pulse sequences are used to generate all lines in phase. Up to 22-quantum 1H absorption in solid adamantane is observed.

  10. Multiple-quantum NMR in solids

    SciTech Connect

    Yen, Y.; Pines, A.

    1983-03-15

    Multiple-quantum NMR has typically been observed in small groups of spins in isolated molecules. Due to the profusion of spin transitions in a solid, individual lines are unresolved. Excitation of high quantum transitions by normal schemes is thus difficult. To ensure that overlapping lines add constructively and to enhance sensitivity, time-reversal pulse sequences are used to generate all lines in phase. Up to 22-quantum /sup 1/H absorption in solid adamantane is observed.

  11. Multiple quantum coherence spectroscopy.

    PubMed

    Mathew, Nathan A; Yurs, Lena A; Block, Stephen B; Pakoulev, Andrei V; Kornau, Kathryn M; Wright, John C

    2009-08-20

    Multiple quantum coherences provide a powerful approach for studies of complex systems because increasing the number of quantum states in a quantum mechanical superposition state increases the selectivity of a spectroscopic measurement. We show that frequency domain multiple quantum coherence multidimensional spectroscopy can create these superposition states using different frequency excitation pulses. The superposition state is created using two excitation frequencies to excite the symmetric and asymmetric stretch modes in a rhodium dicarbonyl chelate and the dynamic Stark effect to climb the vibrational ladders involving different overtone and combination band states. A monochromator resolves the free induction decay of different coherences comprising the superposition state. The three spectral dimensions provide the selectivity required to observe 19 different spectral features associated with fully coherent nonlinear processes involving up to 11 interactions with the excitation fields. The different features act as spectroscopic probes of the diagonal and off-diagonal parts of the molecular potential energy hypersurface. This approach can be considered as a coherent pump-probe spectroscopy where the pump is a series of excitation pulses that prepares a multiple quantum coherence and the probe is another series of pulses that creates the output coherence. PMID:19507812

  12. Efficient dipolar double quantum filtering under magic angle spinning without a 1H decoupling field

    NASA Astrophysics Data System (ADS)

    Courtney, Joseph M.; Rienstra, Chad M.

    2016-08-01

    We present a systematic study of dipolar double quantum (DQ) filtering in 13C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n ⩾ 7, provided that the 13C nutation frequency is on the order of 100 kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between 13C and 1H fields. For 13C nutation frequencies greater than 75 kHz, optimal performance is observed without an applied 1H field. At spinning rates exceeding 20 kHz, symmetry conditions as low as n = 3 were found to perform adequately.

  13. Efficient dipolar double quantum filtering under magic angle spinning without a (1)H decoupling field.

    PubMed

    Courtney, Joseph M; Rienstra, Chad M

    2016-08-01

    We present a systematic study of dipolar double quantum (DQ) filtering in (13)C-labeled organic solids over a range of magic-angle spinning rates, using the SPC-n recoupling sequence element with a range of n symmetry values from 3 to 11. We find that efficient recoupling can be achieved for values n⩾7, provided that the (13)C nutation frequency is on the order of 100kHz or greater. The decoupling-field dependence was investigated and explicit heteronuclear decoupling interference conditions identified. The major determinant of DQ filtering efficiency is the decoupling interference between (13)C and (1)H fields. For (13)C nutation frequencies greater than 75kHz, optimal performance is observed without an applied (1)H field. At spinning rates exceeding 20kHz, symmetry conditions as low as n=3 were found to perform adequately. PMID:27314744

  14. Selective Detection of 1H NMR Resonances of CH n Groups Using a Heteronuclear Maximum-Quantum Filter and Pulsed Field Gradients

    NASA Astrophysics Data System (ADS)

    Liu, M.; Farrant, R. D.; Nicholson, J. K.; Lindon, J. C.

    A number of approaches are described for the provision of separate one-dimensional 1H NMR spectra of CH, CH 2, and CH 3 groups utilizing the natural-abundance 13C spins and based upon the selection of the maximum multiple-quantum coherences of the various groups, This sequence is termed edited maximum-quantum proton spectroscop y (MAXY) spectroscopy, The replacement of phase cycling with the application of z magnetic field gradient pulses is also demonstrated, The editing approach is demonstrated using the 1H NMR spectrum of dexamethasone in DMSO- d6 solution, Extension to a complex mixture biofluid is exemplified by the CH 3-only 1H NMR spectrum of human seminal plasma. This aid to the assignment of endogenous metabolite resonances is demonstrated to result in dramatic spectral simplification.

  15. Single-Quantum Coherence Filter for Strongly Coupled Spin Systems for Localized 1H NMR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Trabesinger, Andreas H.; Mueller, D. Christoph; Boesiger, Peter

    2000-08-01

    A pulse sequence for localized in vivo1H NMR spectroscopy is presented, which selectively filters single-quantum coherence built up by strongly coupled spin systems. Uncoupled and weakly coupled spin systems do not contribute to the signal output. Analytical calculations using a product operator description of the strongly coupled AB spin system as well as in vitro tests demonstrate that the proposed filter produces a signal output for a strongly coupled AB spin system, whereas the resonances of a weakly coupled AX spin system and of uncoupled spins are widely suppressed. As a potential application, the detection of the strongly coupled AA‧BB‧ spin system of taurine at 1.5 T is discussed.

  16. NMR profiling of biomolecules at natural abundance using 2D 1H-15N and 1H-13C multiplicity-separated (MS) HSQC spectra

    NASA Astrophysics Data System (ADS)

    Chen, Kang; Freedberg, Darón I.; Keire, David A.

    2015-02-01

    2D NMR 1H-X (X = 15N or 13C) HSQC spectra contain cross-peaks for all XHn moieties. Multiplicity-edited1H-13C HSQC pulse sequences generate opposite signs between peaks of CH2 and CH/CH3 at a cost of lower signal-to-noise due to the 13C T2 relaxation during an additional 1/1JCH period. Such CHn-editing experiments are useful in assignment of chemical shifts and have been successfully applied to small molecules and small proteins (e.g. ubiquitin) dissolved in deuterated solvents where, generally, peak overlap is minimal. By contrast, for larger biomolecules, peak overlap in 2D HSQC spectra is unavoidable and peaks with opposite phases cancel each other out in the edited spectra. However, there is an increasing need for using NMR to profile biomolecules at natural abundance dissolved in water (e.g., protein therapeutics) where NMR experiments beyond 2D are impractical. Therefore, the existing 2D multiplicity-edited HSQC methods must be improved to acquire data on nuclei other than 13C (i.e.15N), to resolve more peaks, to reduce T2 losses and to accommodate water suppression approaches. To meet these needs, a multiplicity-separated1H-X HSQC (MS-HSQC) experiment was developed and tested on 500 and 700 MHz NMR spectrometers equipped with room temperature probes using RNase A (14 kDa) and retroviral capsid (26 kDa) proteins dissolved in 95% H2O/5% D2O. In this pulse sequence, the 1/1JXH editing-period is incorporated into the semi-constant time (semi-CT) X resonance chemical shift evolution period, which increases sensitivity, and importantly, the sum and the difference of the interleaved 1JXH-active and the 1JXH-inactive HSQC experiments yield two separate spectra for XH2 and XH/XH3. Furthermore we demonstrate improved water suppression using triple xyz-gradients instead of the more widely used z-gradient only water-suppression approach.

  17. MULTIPLE-QUANTUM NMR IN SOLIDS

    SciTech Connect

    Yen, Y-S.

    1982-11-01

    Time domain multiple-quantum (MQ) nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for spectral simplification and for providing new information on molecular dynamics. In this thesis, applications of MQ NMR are presented and show distinctly the advantages of this method over the conventional single-quantum NMR. Chapter 1 introduces the spin Hamiltonians, the density matrix formalism and some basic concepts of MQ NMR spectroscopy. In chapter 2, {sup 14}N double-quantum coherence is observed with high sensitivity in isotropic solution, using only the magnetization of bound protons. Spin echoes are used to obtain the homogeneous double-quantum spectrum and to suppress a large H{sub 2}O solvent signal. Chapter 3 resolves the main difficulty in observing high MQ transitions in solids. Due to the profusion of spin transitions in a solid, individual lines are unresolved. Excitation and detection of high quantum transitions by normal schemes are thus difficult. To ensure that overlapping lines add constructively and thereby to enhance sensitivity, time-reversal pulse sequences are used to generate all lines in phase. Up to 22-quantum {sup 1}H absorption in solid adamantane is observed. A time dependence study shows an increase in spin correlations as the excitation time increased. In chapter 4, a statistical theory of MQ second moments is developed for coupled spins of spin I = 1/2. The model reveals that the ratio of the average dipolar coupling to the rms value largely determines the dependence of second moments on the number of quanta. The results of this model are checked against computer-calculated and experimental second moments, and show good agreement. A simple scheme is proposed in chapter 5 for sensitivity improvement in a MQ experiment. The scheme involves acquiring all of the signal energy available in the detection period by applying pulsed spinlocking and sampling between pulses. Using this technique on polycrystalline adamantane, a large

  18. Quantum internet using code division multiple access.

    PubMed

    Zhang, Jing; Liu, Yu-xi; Ozdemir, Sahin Kaya; Wu, Re-Bing; Gao, Feifei; Wang, Xiang-Bin; Yang, Lan; Nori, Franco

    2013-01-01

    A crucial open problem inS large-scale quantum networks is how to efficiently transmit quantum data among many pairs of users via a common data-transmission medium. We propose a solution by developing a quantum code division multiple access (q-CDMA) approach in which quantum information is chaotically encoded to spread its spectral content, and then decoded via chaos synchronization to separate different sender-receiver pairs. In comparison to other existing approaches, such as frequency division multiple access (FDMA), the proposed q-CDMA can greatly increase the information rates per channel used, especially for very noisy quantum channels. PMID:23860488

  19. Quantum internet using code division multiple access

    NASA Astrophysics Data System (ADS)

    Zhang, Jing; Liu, Yu-Xi; Özdemir, Şahin Kaya; Wu, Re-Bing; Gao, Feifei; Wang, Xiang-Bin; Yang, Lan; Nori, Franco

    2013-07-01

    A crucial open problem inS large-scale quantum networks is how to efficiently transmit quantum data among many pairs of users via a common data-transmission medium. We propose a solution by developing a quantum code division multiple access (q-CDMA) approach in which quantum information is chaotically encoded to spread its spectral content, and then decoded via chaos synchronization to separate different sender-receiver pairs. In comparison to other existing approaches, such as frequency division multiple access (FDMA), the proposed q-CDMA can greatly increase the information rates per channel used, especially for very noisy quantum channels.

  20. Multiple Multi-Qubit Quantum States Sharing

    NASA Astrophysics Data System (ADS)

    Qin, Hua-Wang; Dai, Yue-Wei

    2016-04-01

    A multiple multi-qubit quantum states sharing scheme is proposed, in which the dealer can share multiple multi-qubit quantum states among the participants through only one distribution and one recovery. The dealer encodes the secret quantum states into a special entangled state, and then distributes the particles of the entangled state to the participants. The participants perform the single-particle measurements on their particles, and can cooperate to recover the multiple multi-qubit quantum states. Compared to the existing schemes, our scheme is more efficient and more flexible in practice.

  1. Multiple-Access Quantum-Classical Networks

    NASA Astrophysics Data System (ADS)

    Razavi, Mohsen

    2011-10-01

    A multi-user network that supports both classical and quantum communication is proposed. By relying on optical code-division multiple access techniques, this system offers simultaneous key exchange between multiple pairs of network users. A lower bound on the secure key generation rate will be derived for decoy-state quantum key distribution protocols.

  2. (1)H NMR z-spectra of acetate methyl in stretched hydrogels: quantum-mechanical description and Markov chain Monte Carlo relaxation-parameter estimation.

    PubMed

    Shishmarev, Dmitry; Chapman, Bogdan E; Naumann, Christoph; Mamone, Salvatore; Kuchel, Philip W

    2015-01-01

    The (1)H NMR signal of the methyl group of sodium acetate is shown to be a triplet in the anisotropic environment of stretched gelatin gel. The multiplet structure of the signal is due to the intra-methyl residual dipolar couplings. The relaxation properties of the spin system were probed by recording steady-state irradiation envelopes ('z-spectra'). A quantum-mechanical model based on irreducible spherical tensors formed by the three magnetically equivalent spins of the methyl group was used to simulate and fit experimental z-spectra. The multiple parameter values of the relaxation model were estimated by using a Bayesian-based Markov chain Monte Carlo algorithm. PMID:25486634

  3. Electronic structure of (1e,1h) states of carbon nanotube quantum dots

    NASA Astrophysics Data System (ADS)

    Osika, E. N.; Szafran, B.

    2016-04-01

    We provide an atomistic tight-binding description of a few carriers confined in ambipolar (n -p ) double quantum dots defined in a semiconducting carbon nanotube. We focus our attention on the charge configuration in which Pauli blockade of the current flow is observed [F. Pei et al., Nat. Nanotechnol. 7, 630 (2012), 10.1038/nnano.2012.160; E. A. Laird et al., Nat. Nanotechnol. 8, 565 (2013), 10.1038/nnano.2013.140] with a single excess electron in the n dot and a single hole in the p dot. We use the configuration interaction approach to determine the spin-valley structure of the states near the neutrality point and discuss its consequences for the interdot exchange interaction, the degeneracy of the energy spectrum, and the symmetry of the confined states. We calculate the transition energies lifting the Pauli blockade and analyze their dependence on the magnetic field vector. Furthermore, we introduce bending of the nanotube and demonstrate its influence on the transition energy spectra. The best qualitative agreement with the experimental data is observed for nanotubes deflected in the gated areas in which the carrier confinement is induced.

  4. Time-domain multiple-quantum NMR

    SciTech Connect

    Weitekamp, D.P.

    1982-11-01

    The development of time-domain multiple-quantum nuclear magnetic resonance is reviewed through mid 1982 and some prospects for future development are indicated. Particular attention is given to the problem of obtaining resolved, interpretable, many-quantum spectra for anisotropic magnetically isolated systems of coupled spins. New results are presented on a number of topics including the optimization of multiple-quantum-line intensities, analysis of noise in two-dimensional spectroscopy, and the use of order-selective excitation for cross polarization between nuclear-spin species.

  5. Quantum hyperparallel algorithm for matrix multiplication

    NASA Astrophysics Data System (ADS)

    Zhang, Xin-Ding; Zhang, Xiao-Ming; Xue, Zheng-Yuan

    2016-04-01

    Hyperentangled states, entangled states with more than one degree of freedom, are considered as promising resource in quantum computation. Here we present a hyperparallel quantum algorithm for matrix multiplication with time complexity O(N2), which is better than the best known classical algorithm. In our scheme, an N dimensional vector is mapped to the state of a single source, which is separated to N paths. With the assistance of hyperentangled states, the inner product of two vectors can be calculated with a time complexity independent of dimension N. Our algorithm shows that hyperparallel quantum computation may provide a useful tool in quantum machine learning and “big data” analysis.

  6. Quantum hyperparallel algorithm for matrix multiplication.

    PubMed

    Zhang, Xin-Ding; Zhang, Xiao-Ming; Xue, Zheng-Yuan

    2016-01-01

    Hyperentangled states, entangled states with more than one degree of freedom, are considered as promising resource in quantum computation. Here we present a hyperparallel quantum algorithm for matrix multiplication with time complexity O(N(2)), which is better than the best known classical algorithm. In our scheme, an N dimensional vector is mapped to the state of a single source, which is separated to N paths. With the assistance of hyperentangled states, the inner product of two vectors can be calculated with a time complexity independent of dimension N. Our algorithm shows that hyperparallel quantum computation may provide a useful tool in quantum machine learning and "big data" analysis. PMID:27125586

  7. Quantification of diagnostic biomarkers to detect multiple sclerosis lesions employing (1)H-MRSI at 3T.

    PubMed

    Vafaeyan, H; Ebrahimzadeh, S A; Rahimian, N; Alavijeh, S Karimi; Madadi, A; Faeghi, F; Harirchian, M H; Rad, H Saligheh

    2015-12-01

    Proton magnetic resonance spectroscopic imaging ((1)H-MRSI) enables the quantification of metabolite concentration ratios in the brain. The major purpose of the current work is to characterize NAA/Cho, NAA/Cr and Myo/Cr in multiple sclerosis (MS) patients, and to estimate their reproducibility in healthy controls. Twelve MS patients and five healthy volunteers were imaged using (1)H-MRSI at 3T. Eddy current correction was performed using a single-voxel non-water suppressed acquisition on an external water phantom. Time-domain quantification was carried out using subtract-QUEST technique, and based on an optimal simulated metabolite database. Reproducibility was evaluated on the same quantified ratios in five normal subjects. An optimal database was created for the quantification of the MRSI data, consisting of choline (Cho), creatine (Cr), N-acetyl aspartate (NAA), lactate (Lac), lipids, myo-inositol (Myo) and glutamine + glutamate (Glx). Decreasing of NAA/Cr and NAA/Cho ratios, as well as an increase in Myo/Cr ratio were observed for MS patients in comparison with control group. Reproducibility of NAA/Cr, NAA/Cho and Myo/Cr in control group was 0.98, 0.87 and 0.64, respectively, expressed as the squared correlation coefficient R (2) between duplicate experiments. We showed that MRSI alongside the time-domain quantification of spectral ratios offers a sensitive and reproducible framework to differentiate MS patients from normals. PMID:26526449

  8. Quantitative Quantum Mechanical Spectral Analysis (qQMSA) of 1H NMR spectra of complex mixtures and biofluids

    NASA Astrophysics Data System (ADS)

    Tiainen, Mika; Soininen, Pasi; Laatikainen, Reino

    2014-05-01

    The quantitative interpretation of 1H NMR spectra of mixtures like the biofluids is a demanding task due to spectral complexity and overlap. Complications may arise also from water suppression, T2-editing, protein interactions, relaxation differences of the species, experimental artifacts and, furthermore, the spectra may contain unknown components and macromolecular background which cannot be easily separated from baseline. In this work, tools and strategies for quantitative Quantum Mechanical Spectral Analysis (qQMSA) of 1H NMR spectra from complex mixtures were developed and systematically assessed. In the present approach, the signals of well-defined, stoichiometric components are described by a QM model, while the background is described by a multiterm baseline function and the unknown signals using optimizable and adjustable lines, regular multiplets or any spectral structures which can be composed from spectral lines. Any prior knowledge available from the spectrum can also be added to the model. Fitting strategies for weak and strongly overlapping spectral systems were developed and assessed using two basic model systems, the metabolite mixtures without and with macromolecular (serum) background. The analyses show that if the spectra are measured in high-throughput manner, the consistent absolute quantification demands some calibration to compensate the different response factors of the protons and compounds. On the other hand, the results show that also the T2-edited spectra can be measured so that they obey well the QM rules. In general, qQMSA exploits and interprets the spectral information in maximal way taking full advantage from the QM properties of the spectra and, at the same time, offers chemical confidence which means that individual components can be identified with high confidence on the basis of their accurate spectral parameters.

  9. Quantum hyperparallel algorithm for matrix multiplication

    PubMed Central

    Zhang, Xin-Ding; Zhang, Xiao-Ming; Xue, Zheng-Yuan

    2016-01-01

    Hyperentangled states, entangled states with more than one degree of freedom, are considered as promising resource in quantum computation. Here we present a hyperparallel quantum algorithm for matrix multiplication with time complexity O(N2), which is better than the best known classical algorithm. In our scheme, an N dimensional vector is mapped to the state of a single source, which is separated to N paths. With the assistance of hyperentangled states, the inner product of two vectors can be calculated with a time complexity independent of dimension N. Our algorithm shows that hyperparallel quantum computation may provide a useful tool in quantum machine learning and “big data” analysis. PMID:27125586

  10. Selectivity in multiple quantum nuclear magnetic resonance

    SciTech Connect

    Warren, W.S.

    1980-11-01

    The observation of multiple-quantum nuclear magnetic resonance transitions in isotropic or anisotropic liquids is shown to give readily interpretable information on molecular configurations, rates of motional processes, and intramolecular interactions. However, the observed intensity of high multiple-quantum transitions falls off dramatically as the number of coupled spins increases. The theory of multiple-quantum NMR is developed through the density matrix formalism, and exact intensities are derived for several cases (isotropic first-order systems and anisotropic systems with high symmetry) to shown that this intensity decrease is expected if standard multiple-quantum pulse sequences are used. New pulse sequences are developed which excite coherences and produce population inversions only between selected states, even though other transitions are simultaneously resonant. One type of selective excitation presented only allows molecules to absorb and emit photons in groups of n. Coherent averaging theory is extended to describe these selective sequences, and to design sequences which are selective to arbitrarily high order in the Magnus expansion. This theory and computer calculations both show that extremely good selectivity and large signal enhancements are possible.

  11. Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Segnorile, Héctor H.; Zamar, Ricardo C.

    2011-12-01

    Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the system-environment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermal-contact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance (1H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by

  12. Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: application to 1H NMR of nematic liquid crystals.

    PubMed

    Segnorile, Héctor H; Zamar, Ricardo C

    2011-12-28

    Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the system-environment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermal-contact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance ((1)H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by

  13. Excitation of multiple quantum transitions under magic angle spinning conditions: Adamantane

    NASA Astrophysics Data System (ADS)

    Meier, B. H.; Earl, William L.

    1986-11-01

    A pulse sequence designed for the excitation of multiple quantum transitions in magic angle spinning solid state NMR spectroscopy is presented. It is shown that under the action of the standard time-reversal pulse sequence, the change in the sign of the dipole coupling (which is used to generate the multiple quantum coherences) upon rotation causes the multiple quantum intensity to vanish after each rotor period. This effect is demonstrated both in calculations and in experimental 1H spectra of adamantane. A modification of the time-reversal pulse sequence, which involves switching the phase of the rf pulses every half-rotor period causes the spin part of the Hamiltonian to switch sign in synchrony with the modulation of the spacial part. This allows the creation of multiple quantum coherences in solids with magic angle spinning. The effectiveness of this pulse sequence is demonstrated through calculations and experiments.

  14. Excitation of multiple quantum transitions under magic angle spinning conditions: Adamantane

    SciTech Connect

    Meier, B.H.; Earl, W.L.

    1986-11-01

    A pulse sequence designed for the excitation of multiple quantum transitions in magic angle spinning solid state NMR spectroscopy is presented. It is shown that under the action of the standard time-reversal pulse sequence, the change in the sign of the dipole coupling (which is used to generate the multiple quantum coherences) upon rotation causes the multiple quantum intensity to vanish after each rotor period. This effect is demonstrated both in calculations and in experimental /sup 1/H spectra of adamantane. A modification of the time-reversal pulse sequence, which involves switching the phase of the rf pulses every half-rotor period causes the spin part of the Hamiltonian to switch sign in synchrony with the modulation of the spacial part. This allows the creation of multiple quantum coherences in solids with magic angle spinning. The effectiveness of this pulse sequence is demonstrated through calculations and experiments.

  15. Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors

    PubMed Central

    Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Zhang, Xiao-Mei

    2016-01-01

    Summary For the first time, a catalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones was achieved with a chiral bifunctional amine-thiourea as a catalyst possessing multiple hydrogen-bond donors. With this developed method, a range of 3-hydroxy-3-nitromethyl-1H-pyrrol-2(3H)-ones bearing quaternary stereocenters were obtained in acceptable yield (up to 75%) and enantioselectivity (up to 73% ee). PMID:26977188

  16. Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors.

    PubMed

    Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng

    2016-01-01

    For the first time, a catalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones was achieved with a chiral bifunctional amine-thiourea as a catalyst possessing multiple hydrogen-bond donors. With this developed method, a range of 3-hydroxy-3-nitromethyl-1H-pyrrol-2(3H)-ones bearing quaternary stereocenters were obtained in acceptable yield (up to 75%) and enantioselectivity (up to 73% ee). PMID:26977188

  17. Spin-orbit interaction in multiple quantum wells

    SciTech Connect

    Hao, Ya-Fei

    2015-01-07

    In this paper, we investigate how the structure of multiple quantum wells affects spin-orbit interactions. To increase the interface-related Rashba spin splitting and the strength of the interface-related Rashba spin-orbit interaction, we designed three kinds of multiple quantum wells. We demonstrate that the structure of the multiple quantum wells strongly affected the interface-related Rashba spin-orbit interaction, increasing the interface-related Rashba spin splitting to up to 26% larger in multiple quantum wells than in a stepped quantum well. We also show that the cubic Dresselhaus spin-orbit interaction similarly influenced the spin relaxation time of multiple quantum wells and that of a stepped quantum well. The increase in the interface-related Rashba spin splitting originates from the relationship between interface-related Rashba spin splitting and electron probability density. Our results suggest that multiple quantum wells can be good candidates for spintronic devices.

  18. Time evolution of multiple quantum coherences in NMR

    NASA Astrophysics Data System (ADS)

    Sánchez, Claudia M.; Pastawski, Horacio M.; Levstein, Patricia R.

    2007-09-01

    In multiple quantum NMR, individual spins become correlated with one another over time through their dipolar couplings. In this way, the usual Zeeman selection rule can be overcome and forbidden transitions can be excited. Experimentally, these multiple quantum coherences (MQC) are formed by the application of appropriate sequences of radio frequency pulses that force the spins to act collectively. 1H spin coherences of even order up to 16 were excited in a polycrystalline sample of ferrocene (C 5H 5) 2Fe and up to 32 in adamantane (C 10H 16) and their evolutions studied in different conditions: (a) under the natural dipolar Hamiltonian, H ZZ (free evolution) and with H ZZ canceled out by (b) time reversion or (c) with the MREV8 sequence. The results show that when canceling H ZZ the coherences decay with characteristic times ( τc≈200 μs), which are more than one order of magnitude longer than those under free evolution ( τc≈10 μs). In addition, it is observed that with both MREV8 and time reversion sequences, the higher the order of the coherence (larger number of correlated spins) the faster the speed of degradation, as it happens during the evolution with H ZZ. In both systems, it is observed that the sequence of time reversion of the dipolar Hamiltonian preserves coherences for longer times than MREV8.

  19. Improving the resolution in proton-detected through-space heteronuclear multiple quantum correlation NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Shen, Ming; Trébosc, J.; Lafon, O.; Pourpoint, F.; Hu, Bingwen; Chen, Qun; Amoureux, J.-P.

    2014-08-01

    Connectivities and proximities between protons and low-gamma nuclei can be probed in solid-state NMR spectroscopy using two-dimensional (2D) proton-detected heteronuclear correlation, through Heteronuclear Multiple Quantum Correlation (HMQC) pulse sequence. The indirect detection via protons dramatically enhances the sensitivity. However, the spectra are often broadened along the indirect F1 dimension by the decay of heteronuclear multiple-quantum coherences under the strong 1H-1H dipolar couplings. This work presents a systematic comparison of the performances of various decoupling schemes during the indirect t1 evolution period of dipolar-mediated HMQC (D-HMQC) experiment. We demonstrate that 1H-1H dipolar decoupling sequences during t1, such as symmetry-based schemes, phase-modulated Lee-Goldburg (PMLG) and Decoupling Using Mind-Boggling Optimization (DUMBO), provide better resolution than continuous wave 1H irradiation. We also report that high resolution requires the preservation of 1H isotropic chemical shifts during the decoupling sequences. When observing indirectly broad spectra presenting numerous spinning sidebands, the D-HMQC sequence must be fully rotor-synchronized owing to the rotor-synchronized indirect sampling and dipolar recoupling sequence employed. In this case, we propose a solution to reduce artefact sidebands caused by the modulation of window delays before and after the decoupling application during the t1 period. Moreover, we show that 1H-1H dipolar decoupling sequence using Smooth Amplitude Modulation (SAM) minimizes the t1-noise. The performances of the various decoupling schemes are assessed via numerical simulations and compared to 2D 1H-{13C} D-HMQC experiments on [U-13C]-L-histidineṡHClṡH2O at various magnetic fields and Magic Angle spinning (MAS) frequencies. Great resolution and sensitivity enhancements resulting from decoupling during t1 period enable the detection of heteronuclear correlation between aliphatic protons and

  20. Selective Detection of 1H NMR Resonances of 13CH n Groups Using Two-Dimensional Maximum-Quantum Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, M.; Farrant, R. D.; Nicholson, J. K.; Lindon, J. C.

    Methods for editing spectra based upon maximum-quantum filtering in two-dimensional 1H NMR are presented (MAXY NMR). Separation of 1H resonances from 13CH, 13CH 2, and 13CH 3 groups is demonstrated, using the coherence of the attached natural-abundance 13C spin. Two-dimensional correlation pulse sequences based on J connectivity (MAXY-COSY), total J connectivity (MAXY-TOCSY), and NOE and exchange processes (MAXY-NOESY) are given and exemplified using dexamethasone as a model compound. In addition, an improved form of a 13CH 2 only COSY spectrum (gem-COSY) is shown, and the application of z magnetic-field gradients is demonstrated as an alternative to phase cycling. The approach should have utility in the assignment of complex 1H NMR spectra which arise from peptides or complex mixtures such as biofluids.

  1. Orally Bioavailable 6-Chloro-7-methoxy-4(1H)-quinolones Efficacious against Multiple Stages of Plasmodium

    PubMed Central

    2015-01-01

    The continued proliferation of malaria throughout temperate and tropical regions of the world has promoted a push for more efficacious treatments to combat the disease. Unfortunately, more recent remedies such as artemisinin combination therapies have been rendered less effective due to developing parasite resistance, and new drugs are required that target the parasite in the liver to support the disease elimination efforts. Research was initiated to revisit antimalarials developed in the 1940s and 1960s that were deemed unsuitable for use as therapeutic agents as a result of poor understanding of both physicochemical properties and parasitology. Structure–activity and structure–property relationship studies were conducted to generate a set of compounds with the general 6-chloro-7-methoxy-2-methyl-4(1H)-quinolone scaffold which were substituted at the 3-position with a variety of phenyl moieties possessing various properties. Extensive physicochemical evaluation of the quinolone series was carried out to downselect the most promising 4(1H)-quinolones, 7, 62, 66, and 67, which possessed low-nanomolar EC50 values against W2 and TM90-C2B as well as improved microsomal stability. Additionally, in vivo Thompson test results using Plasmodium berghei in mice showed that these 4(1H)-quinolones were efficacious for the reduction of parasitemia at >99% after 6 days. PMID:25148516

  2. Multiple network alignment on quantum computers

    NASA Astrophysics Data System (ADS)

    Daskin, Anmer; Grama, Ananth; Kais, Sabre

    2014-12-01

    Comparative analyses of graph-structured datasets underly diverse problems. Examples of these problems include identification of conserved functional components (biochemical interactions) across species, structural similarity of large biomolecules, and recurring patterns of interactions in social networks. A large class of such analyses methods quantify the topological similarity of nodes across networks. The resulting correspondence of nodes across networks, also called node alignment, can be used to identify invariant subgraphs across the input graphs. Given graphs as input, alignment algorithms use topological information to assign a similarity score to each -tuple of nodes, with elements (nodes) drawn from each of the input graphs. Nodes are considered similar if their neighbors are also similar. An alternate, equivalent view of these network alignment algorithms is to consider the Kronecker product of the input graphs and to identify high-ranked nodes in the Kronecker product graph. Conventional methods such as PageRank and HITS (Hypertext-Induced Topic Selection) can be used for this purpose. These methods typically require computation of the principal eigenvector of a suitably modified Kronecker product matrix of the input graphs. We adopt this alternate view of the problem to address the problem of multiple network alignment. Using the phase estimation algorithm, we show that the multiple network alignment problem can be efficiently solved on quantum computers. We characterize the accuracy and performance of our method and show that it can deliver exponential speedups over conventional (non-quantum) methods.

  3. Multiple network alignment on quantum computers

    NASA Astrophysics Data System (ADS)

    Daskin, Anmer; Grama, Ananth; Kais, Sabre

    2014-09-01

    Comparative analyses of graph structured datasets underly diverse problems. Examples of these problems include identification of conserved functional components (biochemical interactions) across species, structural similarity of large biomolecules, and recurring patterns of interactions in social networks. A large class of such analyses methods quantify the topological similarity of nodes across networks. The resulting correspondence of nodes across networks, also called node alignment, can be used to identify invariant subgraphs across the input graphs. Given $k$ graphs as input, alignment algorithms use topological information to assign a similarity score to each $k$-tuple of nodes, with elements (nodes) drawn from each of the input graphs. Nodes are considered similar if their neighbors are also similar. An alternate, equivalent view of these network alignment algorithms is to consider the Kronecker product of the input graphs, and to identify high-ranked nodes in the Kronecker product graph. Conventional methods such as PageRank and HITS (Hypertext Induced Topic Selection) can be used for this purpose. These methods typically require computation of the principal eigenvector of a suitably modified Kronecker product matrix of the input graphs. We adopt this alternate view of the problem to address the problem of multiple network alignment. Using the phase estimation algorithm, we show that the multiple network alignment problem can be efficiently solved on quantum computers. We characterize the accuracy and performance of our method, and show that it can deliver exponential speedups over conventional (non-quantum) methods.

  4. Order-selective multiple-quantum excitation in magic-angle spinning NMR: creating triple-quantum coherences with a trilinear Hamiltonian

    NASA Astrophysics Data System (ADS)

    Edén, Mattias

    2002-12-01

    Order-selective multiple-quantum excitation in magic-angle spinning nuclear magnetic resonance is explored using a class of symmetry-based pulse sequences, denoted S Mχ. Simple rules are presented that aid the design of S Mχ schemes with certain desirable effective Hamiltonians. They are applied to construct sequences generating trilinear effective dipolar Hamiltonians, suitable for efficient excitation of triple-quantum coherences in rotating solids. The new sequences are investigated numerically and demonstrated by 1H experiments on adamantane.

  5. Multiple-state quantum Otto engine, 1D box system

    SciTech Connect

    Latifah, E.; Purwanto, A.

    2014-03-24

    Quantum heat engines produce work using quantum matter as their working substance. We studied adiabatic and isochoric processes and defined the general force according to quantum system. The processes and general force are used to evaluate a quantum Otto engine based on multiple-state of one dimensional box system and calculate the efficiency. As a result, the efficiency depends on the ratio of initial and final width of system under adiabatic processes.

  6. Quantum cosmological perturbations of multiple fluids

    NASA Astrophysics Data System (ADS)

    Peter, Patrick; Pinto-Neto, N.; Vitenti, Sandro D. P.

    2016-01-01

    The formalism to treat quantization and evolution of cosmological perturbations of multiple fluids is described. We first construct the Lagrangian for both the gravitational and matter parts, providing the necessary relevant variables and momenta leading to the quadratic Hamiltonian describing linear perturbations. The final Hamiltonian is obtained without assuming any equations of motions for the background variables. This general formalism is applied to the special case of two fluids, having in mind the usual radiation and matter mix which made most of our current Universe history. Quantization is achieved using an adiabatic expansion of the basis functions. This allows for an unambiguous definition of a vacuum state up to the given adiabatic order. Using this basis, we show that particle creation is well defined for a suitable choice of vacuum and canonical variables, so that the time evolution of the corresponding quantum fields is unitary. This provides constraints for setting initial conditions for an arbitrary number of fluids and background time evolution. We also show that the common choice of variables for quantization can lead to an ill-defined vacuum definition. Our formalism is not restricted to the case where the coupling between fields is small, but is only required to vary adiabatically with respect to the ultraviolet modes, thus paving the way to consistent descriptions of general models not restricted to single-field (or fluid).

  7. Quantum broadcasting multiple blind signature with constant size

    NASA Astrophysics Data System (ADS)

    Xiao, Min; Li, Zhenli

    2016-06-01

    Using quantum homomorphic signature in quantum network, we propose a quantum broadcasting multiple blind signature scheme. Different from classical signature and current quantum signature schemes, the multi-signature proposed in our scheme is not generated by simply putting the individual signatures together, but by aggregating the individual signatures based on homomorphic property. Therefore, the size of the multi-signature is constant. Furthermore, based on a wide range of investigation for the security of existing quantum signature protocols, our protocol is designed to resist possible forgery attacks against signature and message from the various attack sources and disavowal attacks from participants.

  8. Multiple Quantum NMR Investigations of Structure- Property Relationships in Synthetic and Aged Silicone Elastomers

    SciTech Connect

    Maxwell, R; Gjersing, E; Chinn, S; Herberg, J; Eastwood, E; Bowen, D; Stephens, T

    2006-09-27

    Complex engineering elastomeric materials are often characterized by a complex network structure obtained by crosslinking network chains with multiple chain lengths. Further, these networks are commonly filled with thixotropic reinforcing agents such as SiO{sub 2} or carbon black. Degradation of such materials often occurs via mechanisms that alter the fundamental network structure. In order to understand the effects of modifications of network structure and filler-polymer interaction on component performance, a series of model compounds have been studied by {sup 1}H multiple quantum NMR analysis and traditional mechanical property assessments. The {sup 1}H NMR data provides insight into the distribution of segmental dynamics that reveals insight into the changes in mechanical properties.

  9. Secure Multiparty Quantum Computation for Summation and Multiplication

    PubMed Central

    Shi, Run-hua; Mu, Yi; Zhong, Hong; Cui, Jie; Zhang, Shun

    2016-01-01

    As a fundamental primitive, Secure Multiparty Summation and Multiplication can be used to build complex secure protocols for other multiparty computations, specially, numerical computations. However, there is still lack of systematical and efficient quantum methods to compute Secure Multiparty Summation and Multiplication. In this paper, we present a novel and efficient quantum approach to securely compute the summation and multiplication of multiparty private inputs, respectively. Compared to classical solutions, our proposed approach can ensure the unconditional security and the perfect privacy protection based on the physical principle of quantum mechanics. PMID:26792197

  10. Secure Multiparty Quantum Computation for Summation and Multiplication.

    PubMed

    Shi, Run-hua; Mu, Yi; Zhong, Hong; Cui, Jie; Zhang, Shun

    2016-01-01

    As a fundamental primitive, Secure Multiparty Summation and Multiplication can be used to build complex secure protocols for other multiparty computations, specially, numerical computations. However, there is still lack of systematical and efficient quantum methods to compute Secure Multiparty Summation and Multiplication. In this paper, we present a novel and efficient quantum approach to securely compute the summation and multiplication of multiparty private inputs, respectively. Compared to classical solutions, our proposed approach can ensure the unconditional security and the perfect privacy protection based on the physical principle of quantum mechanics. PMID:26792197

  11. Secure Multiparty Quantum Computation for Summation and Multiplication

    NASA Astrophysics Data System (ADS)

    Shi, Run-Hua; Mu, Yi; Zhong, Hong; Cui, Jie; Zhang, Shun

    2016-01-01

    As a fundamental primitive, Secure Multiparty Summation and Multiplication can be used to build complex secure protocols for other multiparty computations, specially, numerical computations. However, there is still lack of systematical and efficient quantum methods to compute Secure Multiparty Summation and Multiplication. In this paper, we present a novel and efficient quantum approach to securely compute the summation and multiplication of multiparty private inputs, respectively. Compared to classical solutions, our proposed approach can ensure the unconditional security and the perfect privacy protection based on the physical principle of quantum mechanics.

  12. Multiplicity-free Quantum 6 j-Symbols for

    NASA Astrophysics Data System (ADS)

    Nawata, Satoshi; Pichai, Ramadevi; Zodinmawia

    2013-12-01

    We conjecture a closed form expression for the simplest class of multiplicity-free quantum 6 j-symbols for . The expression is a natural generalization of the quantum 6 j-symbols for obtained by Kirillov and Reshetikhin. Our conjectured form enables computation of colored HOMFLY polynomials for various knots and links carrying arbitrary symmetric representations.

  13. Multiple-server Flexible Blind Quantum Computation in Networks

    NASA Astrophysics Data System (ADS)

    Kong, Xiaoqin; Li, Qin; Wu, Chunhui; Yu, Fang; He, Jinjun; Sun, Zhiyuan

    2016-06-01

    Blind quantum computation (BQC) can allow a client with limited quantum power to delegate his quantum computation to a powerful server and still keep his own data private. In this paper, we present a multiple-server flexible BQC protocol, where a client who only needs the ability of accessing qua ntum channels can delegate the computational task to a number of servers. Especially, the client's quantum computation also can be achieved even when one or more delegated quantum servers break down in networks. In other words, when connections to certain quantum servers are lost, clients can adjust flexibly and delegate their quantum computation to other servers. Obviously it is trivial that the computation will be unsuccessful if all servers are interrupted.

  14. Multiple-server Flexible Blind Quantum Computation in Networks

    NASA Astrophysics Data System (ADS)

    Kong, Xiaoqin; Li, Qin; Wu, Chunhui; Yu, Fang; He, Jinjun; Sun, Zhiyuan

    2016-02-01

    Blind quantum computation (BQC) can allow a client with limited quantum power to delegate his quantum computation to a powerful server and still keep his own data private. In this paper, we present a multiple-server flexible BQC protocol, where a client who only needs the ability of accessing qua ntum channels can delegate the computational task to a number of servers. Especially, the client's quantum computation also can be achieved even when one or more delegated quantum servers break down in networks. In other words, when connections to certain quantum servers are lost, clients can adjust flexibly and delegate their quantum computation to other servers. Obviously it is trivial that the computation will be unsuccessful if all servers are interrupted.

  15. Study of correlations in molecular motion by multiple quantum NMR

    SciTech Connect

    Tang, J.H.

    1981-11-01

    Nuclear magnetic resonance is a very useful tool for characterizing molecular configurations through the measurement of transition frequencies and dipolar couplings. The measurement of spectral lineshapes, spin-lattice relaxation times, and transverse relaxation times also provide us with valuable information about correlations in molecular motion. The new technique of multiple quantum nuclear magnetic resonance has numerous advantages over the conventional single quantum NMR techniques in obtaining information about static and dynamic interactions of coupled spin systems. In the first two chapters, the theoretical background of spin Hamiltonians and the density matrix formalism of multiple quantum NMR is discussed. The creation and detection of multiple quantum coherence by multiple pulse sequence are discussed. Prototype multiple quantum spectra of oriented benzene are presented. Redfield relaxation theory and the application of multiple quantum NMR to the study of correlations in fluctuations are presented. A specific example of an oriented methyl group relaxed by paramagnetic impurities is studied in detail. The study of possible correlated motion between two coupled methyl groups by multiple quantum NMR is presented. For a six spin system it is shown that the four-quantum spectrum is sensitive to two-body correlations, and serves a ready test of correlated motion. The study of the spin-lattice dynamics of orienting or tunneling methyl groups (CH/sub 3/ and CD/sub 3/) at low temperatures is presented. The anisotropic spin-lattice relaxation of deuterated hexamethylbenzene, caused by the sixfold reorientation of the molecules, is investigated, and the NMR spectrometers and other experimental details are discussed.

  16. Computer studies of multiple-quantum spin dynamics

    SciTech Connect

    Murdoch, J.B.

    1982-11-01

    The excitation and detection of multiple-quantum (MQ) transitions in Fourier transform NMR spectroscopy is an interesting problem in the quantum mechanical dynamics of spin systems as well as an important new technique for investigation of molecular structure. In particular, multiple-quantum spectroscopy can be used to simplify overly complex spectra or to separate the various interactions between a nucleus and its environment. The emphasis of this work is on computer simulation of spin-system evolution to better relate theory and experiment.

  17. On Quantum Algorithm for Multiple Alignment of Amino Acid Sequences

    NASA Astrophysics Data System (ADS)

    Iriyama, Satoshi; Ohya, Masanori

    2009-02-01

    The alignment of genome sequences or amino acid sequences is one of fundamental operations for the study of life. Usual computational complexity for the multiple alignment of N sequences with common length L by dynamic programming is O(LN). This alignment is considered as one of the NP problems, so that it is desirable to find a nice algorithm of the multiple alignment. Thus in this paper we propose the quantum algorithm for the multiple alignment based on the works12,1,2 in which the NP complete problem was shown to be the P problem by means of quantum algorithm and chaos information dynamics.

  18. High-resolution 1H NMR in solids with multiple-pulse sequences and magic-angle sample spinning at 270 MHz

    NASA Astrophysics Data System (ADS)

    Scheler, G.; Haubenreisser, U.; Rosenberger, H.

    A probe suitable for 270-MHz 1H NMR in solids is described, using the combination of the phase-error-compensated WAHUHA multiple-pulse cycle and magic-angle sample spinning (MAS). The experimental results obtained at this frequency are compared with measurements at 60 MHz. Because of the increase of frequency the spectral resolution is improved by a factor of about 5. For a variety of organic and inorganic substances the resolution varies from 0.3 ppm in polycrystalline adamantane to about 2 ppm, sufficient to resolve resonance signals of protons of different molecular groups, such as NH 3, NH 4, olefinic, aromatic, and aliphatic protons. Averaged chemical shifts of a series of selected hydrogen-bonded powder samples are discussed. The residual linewidths were found to be due predominantly to second-order residual dipolar broadening, the cross term between resonance offset and dipolar interaction, nonresolved chemical shifts, and interactions of protons with nuclei which have a strong quadrupolar moment. The resolution is expected to be increased by combining the high-field MAS experiments and more effective multiple-pulse sequences, e.g., the 24-pulse cycle developed recently by Burum and Rhim.

  19. Thermodynamic behavior of the binaries 1-butylpyridinium tetrafluoroborate with water and alkanols: their interpretation using 1H NMR spectroscopy and quantum-chemistry calculations.

    PubMed

    Vreekamp, Remko; Castellano, Desire; Palomar, José; Ortega, Juan; Espiau, Fernando; Fernández, Luís; Penco, Eduvigis

    2011-07-14

    Here we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate [bpy][BF(4)]. Solubility data (x(IL),T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, x(IL), with immiscibility. In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures. Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies H(m)(E) and volumes V(m)(E), can be determined. Hence, at 298.15 and 318.15 K these can only be found with the first four alkanols. All mixing properties are correlated with a suitable equation ξ (x(IL),T,Y(m)(E) = 0. An analysis on the influence of the temperature in the properties is shown, likewise a comparison between the results obtained here and those of analogous mixtures, discussing the position of the -CH(3) group in the pyridinic ring. The (1)H NMR spectra are determined to analyze the molecular interactions present, especially those due to hydrogen bonds. Additional information about the molecular interactions and their influence on the mixing properties is obtained by quantum chemistry calculations. PMID:21648473

  20. Multiple Exciton Generation in Quantum Dot Solar Cells

    NASA Astrophysics Data System (ADS)

    Semonin, O. E.

    Photovoltaics are limited in their power conversion efficiency (PCE) by very rapid relaxation of energetic carriers to the band edge. Therefore, photons from the visible and ultraviolet parts of the spectrum typically are not efficiently converted into electrical energy. One approach that can address this is multiple exciton generation (MEG), where a single photon of sufficient energy can generate multiple excited electron-hole pairs. This process has been shown to be more efficient in quantum dots than bulk semiconductors, but it has never been demonstrated in the photocurrent of a solar cell. In order to demonstrate that multiple exciton generation can address fundamental limits for conventional photovoltaics, I have developed prototype devices from colloidal PbS and PbSe quantum dot inks. I have characterized both the colloidal suspensions and films of quantum dots with the goal of understanding what properties determine the efficiency of the solar cell and of the MEG process. I have found surface chemistry effects on solar cells, photoluminescence, and MEG, and I have found some chemical treatments that lead to solar cells showing MEG. These devices show external quantum efficiency (EQE) greater than 100% for certain parts of the solar spectrum, and I extract internal quantum efficiency (IQE) consistent with previous measurements of colloidal suspensions of quantum dots. These findings are a small first step toward breaking the single junction Shockley-Queisser limit of present-day first and second generation solar cells, thus moving photovoltaic cells toward a new regime of efficiency.

  1. Capacity of multiple-input multiple-output quantum depolarizing channels

    NASA Astrophysics Data System (ADS)

    Xiao, Hailin; Ouyang, Shan

    2012-08-01

    Decoherence-free subspaces (DFS) are to utilize the symmetric properties of the interaction between the system and environment so that they can be tolerant against the effect of decoherence. In this paper, we propose multiple-input multiple-output (MIMO) scheme to drive a finite-dimensional quantum system into DFS. For quantum system, the scheme is not only immune to dephasing but also feasible with currently available technology. Motivated by Shannon mutual information, we derive the capacity of MIMO quantum depolarizing channels.

  2. Application of the double relaxation oscillation superconducting quantum interference device sensor to micro-tesla 1H nuclear magnetic resonance experiments

    NASA Astrophysics Data System (ADS)

    Kang, Chan Seok; Kim, Kiwoong; Lee, Seong-Joo; Hwang, Seong-min; Kim, Jin-Mok; Yu, Kwon Kyu; Kwon, Hyukchan; Lee, Sang Kil; Lee, Yong-Ho

    2011-09-01

    We developed an ultra-low field (ULF)-nuclear magnetic resonance (NMR) measurement system capable of working with a measurement field (Bm) of several micro-tesla and performed basic NMR studies with a double relaxation oscillation superconducting quantum interference device (DROS) instead of conventional dc-SQUIDs. DROS is a SQUID sensor utilizing a relaxation oscillation between a dc-SQUID and a relaxation circuit; the new unit consists of an inductor and a resistor, and is connected in parallel with the SQUID. DROS has a 10 times larger flux-to-voltage transfer coefficient (˜mV/ϕ0) than that of the dc-SQUID, and this large transfer coefficient enables the acquisition of the SQUID signal with a simple flux-locked-loop (FLL) circuit using room temperature pre-amplifiers. The DROS second-order gradiometer showed average field noise of 9.2 μϕ0/√Hz in a magnetically shielded room (MSR). In addition, a current limiter formed of a Josephson junction array was put in a flux-transformer of DROS to prevent excessive currents that can be generated from the high pre-polarization field (Bp). Using this system, we measured an 1H NMR signal in water under 2.8 μT Bm field and reconstructed a one-dimensional MR image from the 1H NMR signal under a gradient field BG of 4.09 nT/mm. In addition, we confirmed that the ULF-NMR system can measure the NMR signal in the presence of metal without any distortion by measuring the NMR signal of a sample wrapped with metal. Lastly, we have measured the scalar J-coupling of trimethylphosphate and were able to confirm a clear doublet NMR signal with the coupling strength J3[P,H] = 10.4 ± 0.8 Hz. Finally, because the existing ULF-NMR/MRI studies were almost all performed with dc-SQUID based systems, we constructed a dc-SQUID-based ULF-NMR system in addition to the DROS based system and compared the characteristics of the two different systems by operating the two systems under identical experimental conditions.

  3. Solid-state proton multiple-quantum NMR spectroscopy with fast magic angle spinning

    NASA Astrophysics Data System (ADS)

    Geen, Helen; Titman, Jeremy J.; Gottwald, Johannes; Spiess, Hans W.

    1994-09-01

    The feasibility of multiple-quantum NMR spectroscopy with high resolution for protons in solids is explored. A new multiple-quantum excitation sequence suitable for use with fast magic angle spinning is described, and its performance is compared to that of both static and slow-spinning multiple-quantum methods. Modified sequences with scale the rate of development of the multiple-quantum coherences are also demonstrated, and two-dimensional double-quantum spectra of adamantane and polycarbonate are presented.

  4. Quantum Dot Solar Cells with Multiple Exciton Generation

    SciTech Connect

    Hanna, M. C.; Beard, M. C.; Johnson, J. C.; Murphy, J.; Ellingson, R. J.; Nozik, A. J.

    2005-11-01

    We have measured the quantum yield of the multiple exciton generation (MEG) process in quantum dots (QDs) of the lead-salt semiconductor family (PbSe, PbTe, and PbS) using fs pump-probe transient absorption measurements. Very high quantum yields (up to 300%) for charge carrier generation from MEG have been measured in all of the Pb-VI QDs. We have calculated the potential maximum performance of various MEG QD solar cells in the detailed balance limit. We examined a two-cell tandem PV device with singlet fission (SF), QD, and normal dye (N) absorbers in the nine possible series-connected combinations to compare the tandem combinations and identify the combinations with the highest theoretical efficiency. We also calculated the maximum efficiency of an idealized single-gap MEG QD solar cell with M multiplications and its performance under solar concentration.

  5. Optimum testing of multiple hypotheses in quantum detection theory

    NASA Technical Reports Server (NTRS)

    Yuen, H. P.; Kennedy, R. S.; Lax, M.

    1975-01-01

    The problem of specifying the optimum quantum detector in multiple hypotheses testing is considered for application to optical communications. The quantum digital detection problem is formulated as a linear programming problem on an infinite-dimensional space. A necessary and sufficient condition is derived by the application of a general duality theorem specifying the optimum detector in terms of a set of linear operator equations and inequalities. Existence of the optimum quantum detector is also established. The optimality of commuting detection operators is discussed in some examples. The structure and performance of the optimal receiver are derived for the quantum detection of narrow-band coherent orthogonal and simplex signals. It is shown that modal photon counting is asymptotically optimum in the limit of a large signaling alphabet and that the capacity goes to infinity in the absence of a bandwidth limitation.

  6. Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib.

    PubMed

    Spencer, John; Chowdhry, Babur Z; Hamid, Samiyah; Mendham, Andrew P; Male, Louise; Coles, Simon J; Hursthouse, Michael B

    2010-02-01

    The solid-state structures of a series of seven substituted 3-methylidene-1H-indol-2(3H)-one derivatives have been determined by single-crystal X-ray diffraction and are compared in detail. Six of the structures {(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2(3H)-one, C(13)H(10)N(2)O, (2a); (3Z)-3-(2-thienylmethylidene)-1H-indol-2(3H)-one, C(13)H(9)NOS, (2b); (3E)-3-(2-furylmethylidene)-1H-indol-2(3H)-one monohydrate, C(13)H(9)NO(2).H(2)O, (3a); 3-(1-methylethylidene)-1H-indol-2(3H)-one, C(11)H(11)NO, (4a); 3-cyclohexylidene-1H-indol-2(3H)-one, C(14)H(15)NO, (4c); and spiro[1,3-dioxane-2,3'-indolin]-2'-one, C(11)H(11)NO(3), (5)} display, as expected, intermolecular hydrogen bonding (N-H...O=C) between the 1H-indol-2(3H)-one units. However, methyl 3-(1-methylethylidene)-2-oxo-2,3-dihydro-1H-indole-1-carboxylate, C(13)H(13)NO(3), (4b), a carbamate analogue of (4a) lacking an N-H bond, displays no intermolecular hydrogen bonding. The structure of (4a) contains three molecules in the asymmetric unit, while (4b) and (4c) both contain two independent molecules. PMID:20124685

  7. Detection of electromagnetic radiation using micromechanical multiple quantum wells structures

    DOEpatents

    Datskos, Panagiotis G [Knoxville, TN; Rajic, Slobodan [Knoxville, TN; Datskou, Irene [Knoxville, TN

    2007-07-17

    An apparatus and method for detecting electromagnetic radiation employs a deflectable micromechanical apparatus incorporating multiple quantum wells structures. When photons strike the quantum-well structure, physical stresses are created within the sensor, similar to a "bimetallic effect." The stresses cause the sensor to bend. The extent of deflection of the sensor can be measured through any of a variety of conventional means to provide a measurement of the photons striking the sensor. A large number of such sensors can be arranged in a two-dimensional array to provide imaging capability.

  8. Coherent coupling of multiple transverse modes in quantum cascade lasers.

    PubMed

    Yu, Nanfang; Diehl, Laurent; Cubukcu, Ertugrul; Bour, David; Corzine, Scott; Höfler, Gloria; Wojcik, Aleksander K; Crozier, Kenneth B; Belyanin, Alexey; Capasso, Federico

    2009-01-01

    Quantum cascade lasers are a unique laboratory for studying nonlinear laser dynamics because of their high intracavity intensity, strong intersubband optical nonlinearity, and an unusual combination of relaxation time scales. Here we investigate the nonlinear coupling between the transverse modes of quantum cascade lasers. We present evidence for stable phase coherence of multiple transverse modes over a large range of injection currents. We explain the phase coherence by a four-wave mixing interaction originating from the strong optical nonlinearity of the gain transition. The phase-locking conditions predicted by theory are supported by spectral data and both near- and far-field mode measurements. PMID:19257192

  9. Multiple-quantum dynamics in solid state NMR

    NASA Astrophysics Data System (ADS)

    Baum, J.; Munowitz, M.; Garroway, A. N.; Pines, A.

    1985-09-01

    Recently developed solid state multiple-quantum NMR methods are applied to extended coupling networks, where direct dipole-dipole interactions can be used to create coherences of very high order (˜100). The progressive development of multiple-quantum coherence over time depends upon the formation of multiple-spin correlations, a phenomenon which also accompanies the normal decay to equilibrium of the free induction signal in a solid. Both the time development and the observed distributions of coherence can be approached statistically, with the spin system described by a time-dependent density operator whose elements are completely uncorrelated at sufficiently long times. With this point of view, we treat the distribution of coherence in a multiple-quantum spectrum as Gaussian, and characterize a spectrum obtained for a given preparation time by its variance. The variance of the distribution is associated roughly with the number of coupled spins effectively interacting, and its steady growth with time reflects the continual expansion of the system under the action of the dipolar interactions. The increase in effective system ``size'' is accounted for by a random walk model for the time development of the density operator. Experimental results are presented for hexamethylbenzene, adamantane, and squaric acid. The formation of coherence in systems containing physically isolated clusters is also investigated, and a simple method for estimating the number of spins involved is demonstrated.

  10. Multiple-quantum dynamics in solid state NMR

    SciTech Connect

    Baum, J.; Munowitz, M.; Garroway, A.N.; Pines, A.

    1985-09-01

    Recently developed solid state multiple-quantum NMR methods are applied to extended coupling networks, where direct dipole--dipole interactions can be used to create coherences of very high order (approx. 100). The progressive development of multiple-quantum coherence over time depends upon the formation of multiple-spin correlations, a phenomenon which also accompanies the normal decay to equilibrium of the free induction signal in a solid. Both the time development and the observed distributions of coherence can be approached statistically, with the spin system described by a time-dependent density operator whose elements are completely uncorrelated at sufficiently long times. With this point of view, we treat the distribution of coherence in a multiple-quantum spectrum as Gaussian, and characterize a spectrum obtained for a given preparation time by its variance. The variance of the distribution is associated roughly with the number of coupled spins effectively interacting, and its steady growth with time reflects the continual expansion of the system under the action of the dipolar interactions. The increase in effective system ''size'' is accounted for by a random walk model for the time development of the density operator. Experimental results are presented for hexamethylbenzene, adamantane, and squaric acid. The formation of coherence in systems containing physically isolated clusters is also investigated, and a simple method for estimating the number of spins involved is demonstrated.

  11. Multiple-junction quantum cascade photodetectors for thermophotovoltaic energy conversion.

    PubMed

    Yin, Jian; Paiella, Roberto

    2010-01-18

    The use of intersubband transitions in quantum cascade structures for thermophotovoltaic energy conversion is investigated numerically. The intrinsic cascading scheme, spectral agility, and design flexibility of these structures make them ideally suited to the development of high efficiency multiple-junction thermophotovoltaic detectors. A specific implementation of this device concept is designed, based on bound-to-continuum intersubband transitions in large-conduction-band-offset In(0.7)Ga(0.3)As/AlAs(0.8)Sb(0.2) quantum wells. The device electrical characteristics in the presence of thermal radiation from a blackbody source at 1300 K are calculated, from which a maximum extracted power density of 1.4 W/cm(2) is determined. This value compares favorably with the present state-of-the-art in interband thermophotovoltaic energy conversion, indicating that quantum cascade photodetectors may provide a promising approach to improve energy extraction from thermal sources. PMID:20173989

  12. Controllable multiple-quantum transitions in a T-shaped small quantum dot-ring system

    NASA Astrophysics Data System (ADS)

    Chen, Xiongwen; Chen, Baoju; Song, Kehui; Zhou, Guanghui

    2016-05-01

    Based on the tight-binding model and the slave boson mean field approximation, we investigate the electron transport properties in a small quantum dot (QD)-ring system. Namely, a strongly correlated QD not only attaches directly to two normal metallic electrodes, but also forms a magnetic control Aharonov-Bohm quantum ring with a few noninteracting QDs. We show that the parity effect, the Kondo effect, and the multiple Fano effects coexist in our system. Moreover, the parities, defined by the odd- and even-numbered energy levels in this system, can be switched by adjusting magnetic flux phase ϕ located at the center of the quantum ring, which induces multiple controllable Fano-interference energy pathways. Therefore, the constructive and destructive multi-Fano interference transition, the Kondo and Fano resonance transition at the Fermi level, the Fano resonance and ani-resonance transition are realized in the even parity system. They can also be observed in the odd parity system when one adjusts the phase ϕ and the gate voltage Vg applied to the noninteracting QDs. The multi-quantum transitions determine some interesting transport properties such as the current switch and its multi-flatsteps, the differential conductance switch at zero bias voltage and its oscillation or quantization at the low bias voltage. These results may be useful for the observation of multiple quantum effect interplays experimentally and the design of controllable QD-based device.

  13. Improvement of a quantum broadcasting multiple blind signature scheme based on quantum teleportation

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Qiu, Daowen; Zou, Xiangfu

    2016-03-01

    Recently, a broadcasting multiple blind signature scheme based on quantum teleportation has been proposed for the first time. It is claimed to have unconditional security and properties of quantum multiple signature and quantum blind signature. In this paper, we analyze the security of the protocol and show that each signatory can learn the signed message by a single-particle measurement and the signed message can be modified at random by any attacker according to the scheme. Furthermore, there are some participant attacks and external attacks existing in the scheme. Finally, we present an improved scheme and show that it can resist all of the mentioned attacks. Additionally, the secret keys can be used again and again, making it more efficient and practical.

  14. Improvement of a quantum broadcasting multiple blind signature scheme based on quantum teleportation

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Qiu, Daowen; Zou, Xiangfu

    2016-06-01

    Recently, a broadcasting multiple blind signature scheme based on quantum teleportation has been proposed for the first time. It is claimed to have unconditional security and properties of quantum multiple signature and quantum blind signature. In this paper, we analyze the security of the protocol and show that each signatory can learn the signed message by a single-particle measurement and the signed message can be modified at random by any attacker according to the scheme. Furthermore, there are some participant attacks and external attacks existing in the scheme. Finally, we present an improved scheme and show that it can resist all of the mentioned attacks. Additionally, the secret keys can be used again and again, making it more efficient and practical.

  15. Multiple Exciton Generation in PbSe Quantum Dots and Quantum Dot Solar Cells

    SciTech Connect

    Beard, M. C.; Semonin, O. E.; Nozik, A. J.; Midgett, A. G.; Luther, J. M.

    2012-01-01

    Multiple exciton generation in quantum dots (QDs) has been intensively studied as a way to enhance solar energy conversion by channeling the excess photon energy (energy greater than the bandgap) to produce multiple electron-hole pairs. Among other useful properties, quantum confinement can both increase Coulomb interactions that drive the MEG process and decrease the electron-phonon coupling that cools hot-excitons in bulk semiconductors. We have demonstrated that MEG in PbSe QDs is about two times as efficient at producing multiple electron-hole pairs than bulk PbSe. I will discuss our recent results investigating MEG in PbSe, PbS and PbSxSe1-x, which exhibits an interesting size-dependence of the MEG efficiency. Thin films of electronically coupled PbSe QDs have shown promise in simple photon-to-electron conversion architectures with power conversion efficiencies above 5%. We recently reported an enhancement in the photocurrent resulting from MEG in PbSe QD-based solar cells. We find that the external quantum efficiency (spectrally resolved ratio of collected charge carriers to incident photons) peaked at 114% in the best devices measured, with an internal quantum efficiency of 130%. These results demonstrate that MEG charge carriers can be collected in suitably designed QD solar cells. We compare our results to transient absorption measurements and find reasonable agreement.

  16. Robust Multiple-Range Coherent Quantum State Transfer.

    PubMed

    Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

    2016-01-01

    We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise. PMID:27364891

  17. Thermodynamics of quantum systems with multiple conserved quantities

    NASA Astrophysics Data System (ADS)

    Guryanova, Yelena; Popescu, Sandu; Short, Anthony J.; Silva, Ralph; Skrzypczyk, Paul

    2016-07-01

    Recently, there has been much progress in understanding the thermodynamics of quantum systems, even for small individual systems. Most of this work has focused on the standard case where energy is the only conserved quantity. Here we consider a generalization of this work to deal with multiple conserved quantities. Each conserved quantity, which, importantly, need not commute with the rest, can be extracted and stored in its own battery. Unlike the standard case, in which the amount of extractable energy is constrained, here there is no limit on how much of any individual conserved quantity can be extracted. However, other conserved quantities must be supplied, and the second law constrains the combination of extractable quantities and the trade-offs between them. We present explicit protocols that allow us to perform arbitrarily good trade-offs and extract arbitrarily good combinations of conserved quantities from individual quantum systems.

  18. Robust Multiple-Range Coherent Quantum State Transfer

    PubMed Central

    Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

    2016-01-01

    We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise. PMID:27364891

  19. Thermodynamics of quantum systems with multiple conserved quantities.

    PubMed

    Guryanova, Yelena; Popescu, Sandu; Short, Anthony J; Silva, Ralph; Skrzypczyk, Paul

    2016-01-01

    Recently, there has been much progress in understanding the thermodynamics of quantum systems, even for small individual systems. Most of this work has focused on the standard case where energy is the only conserved quantity. Here we consider a generalization of this work to deal with multiple conserved quantities. Each conserved quantity, which, importantly, need not commute with the rest, can be extracted and stored in its own battery. Unlike the standard case, in which the amount of extractable energy is constrained, here there is no limit on how much of any individual conserved quantity can be extracted. However, other conserved quantities must be supplied, and the second law constrains the combination of extractable quantities and the trade-offs between them. We present explicit protocols that allow us to perform arbitrarily good trade-offs and extract arbitrarily good combinations of conserved quantities from individual quantum systems. PMID:27384384

  20. Robust Multiple-Range Coherent Quantum State Transfer

    NASA Astrophysics Data System (ADS)

    Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

    2016-07-01

    We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise.

  1. Thermodynamics of quantum systems with multiple conserved quantities

    PubMed Central

    Guryanova, Yelena; Popescu, Sandu; Short, Anthony J.; Silva, Ralph; Skrzypczyk, Paul

    2016-01-01

    Recently, there has been much progress in understanding the thermodynamics of quantum systems, even for small individual systems. Most of this work has focused on the standard case where energy is the only conserved quantity. Here we consider a generalization of this work to deal with multiple conserved quantities. Each conserved quantity, which, importantly, need not commute with the rest, can be extracted and stored in its own battery. Unlike the standard case, in which the amount of extractable energy is constrained, here there is no limit on how much of any individual conserved quantity can be extracted. However, other conserved quantities must be supplied, and the second law constrains the combination of extractable quantities and the trade-offs between them. We present explicit protocols that allow us to perform arbitrarily good trade-offs and extract arbitrarily good combinations of conserved quantities from individual quantum systems. PMID:27384384

  2. Multiple Energy Exciton Shelves in Quantum-Dot-DNA Nanobioelectronics.

    PubMed

    Goodman, Samuel M; Singh, Vivek; Ribot, Josep Casamada; Chatterjee, Anushree; Nagpal, Prashant

    2014-11-01

    Quantum dots (QDs) are semiconductor nanocrystallites with multiple size-dependent quantum-confined states that are being explored for utilizing broadband radiation. While DNA has been used for the self-assembly of nanocrystals, it has not been investigated for the formation of simultaneous conduction pathways for transporting multiple energy charges or excitons. These exciton shelves can be formed by coupling the conduction band, valence band, and hot-carrier states in QDs with different HOMO-LUMO levels of DNA nucleobases, resulting from varying degrees of conjugation in the nucleobases. Here we present studies on the electronic density of states in four naturally occurring nucleobases (guanine, thymine, cytosine, and adenine), which energetically couple to quantized states in semiconductor QDs. Using scanning tunneling spectroscopy of single nanoparticle-DNA constructs, we demonstrate composite DOS of chemically coupled DNA oligonucleotides and cadmium chalcogenide QDs (CdS, CdSe, CdTe). While perfectly aligned CdTe QD-DNA states lead to exciton shelves for multiple energy charge transport, mismatched energy levels in CdSe QD-DNA introduce intrabandgap states that can lead to charge trapping and recombination. Although further investigations are required to study the rates of charge transfer, recombination, and back-electron transfer, these results can have important implications for the development of a new class of nanobioelectronics and biological transducers. PMID:26278768

  3. Investigation of enzymatic C-P bond formation using multiple quantum HCP nuclear magnetic resonance spectroscopy.

    PubMed

    Hu, Kaifeng; Werner, Williard J; Allen, Kylie D; Wang, Susan C

    2015-04-01

    The biochemical mechanism for the formation of the C-P-C bond sequence found in l-phosphinothricin, a natural product with antibiotic and herbicidal activity, remains unclear. To obtain further insight into the catalytic mechanism of PhpK, the P-methyltransferase responsible for the formation of the second C-P bond in l-phosphinothricin, we utilized a combination of stable isotopes and two-dimensional nuclear magnetic resonance spectroscopy. Exploiting the newly emerged Bruker QCI probe (Bruker Corp.), we specifically designed and ran a (13) C-(31) P multiple quantum (1) H-(13) C-(31) P (HCP) experiment in (1) H-(31) P two-dimensional mode directly on a PhpK-catalyzed reaction mixture using (13) CH3 -labeled methylcobalamin as the methyl group donor. This method is particularly advantageous because minimal sample purification is needed to maximize product visualization. The observed 3:1:1:3 multiplet specifically and unequivocally illustrates direct bond formation between (13) CH3 and (31) P. Related nuclear magnetic resonance experiments based upon these principles may be designed for the study of enzymatic and/or synthetic chemical reaction mechanisms. PMID:25594737

  4. Investigation of enzymatic C–P bond formation using multiple quantum HCP nuclear magnetic resonance spectroscopy

    PubMed Central

    Hu, Kaifeng; Werner, Williard J.; Allen, Kylie D.; Wang, Susan C.

    2015-01-01

    The biochemical mechanism for the formation of the C–P–C bond sequence found in L-phosphinothricin, a natural product with antibiotic and herbicidal activity, remains unclear. To obtain further insight into the catalytic mechanism of PhpK, the P-methyltransferase responsible for the formation of the second C–P bond in L-phosphinothricin, we utilized a combination of stable isotopes and two-dimensional nuclear magnetic resonance spectroscopy. Exploiting the newly emerged Bruker QCI probe (Bruker Corp.), we specifically designed and ran a 13C-31P multiple quantum 1H-13C-31P (HCP) experiment in 1H-31P two-dimensional mode directly on a PhpK-catalyzed reaction mixture using 13CH3-labeled methylcobalamin as the methyl group donor. This method is particularly advantageous because minimal sample purification is needed to maximize product visualization. The observed 3:1:1:3 multiplet specifically and unequivocally illustrates direct bond formation between 13CH3 and 31P. Related nuclear magnetic resonance experiments based upon these principles may be designed for the study of enzymatic and/or synthetic chemical reaction mechanisms. PMID:25594737

  5. Multiple quantum well AlGaAs nanowires.

    PubMed

    Chen, Chen; Braidy, Nadi; Couteau, Christophe; Fradin, Cécile; Weihs, Gregor; LaPierre, Ray

    2008-02-01

    This letter reports on the growth, structure, and luminescent properties of individual multiple quantum well (MQW) AlGaAs nanowires (NWs). The composition modulations (MQWs) are obtained by alternating the elemental flux of Al and Ga during the molecular beam epitaxy growth of the AlGaAs wire on GaAs (111)B substrates. Transmission electron microscopy and energy dispersive X-ray spectroscopy performed on individual NWs are consistent with a configuration composed of conical segments stacked along the NW axis. Microphotoluminescence measurements and confocal microscopy showed enhanced light emission from the MQW NWs as compared to nonsegmented NWs due to carrier confinement and sidewall passivation. PMID:18184023

  6. Quantum canonical ensemble and correlation femtoscopy at fixed multiplicities

    NASA Astrophysics Data System (ADS)

    Akkelin, S. V.; Sinyukov, Yu. M.

    2016-07-01

    Identical particle correlations at fixed multiplicity are considered by means of quantum canonical ensemble of finite systems. We calculate one-particle momentum spectra and two-particle Bose-Einstein correlation functions in the ideal gas by using a recurrence relation for the partition function. Within such a model we investigate the validity of the thermal Wick's theorem and its applicability for decomposition of the two-particle distribution function. The dependence of the Bose-Einstein correlation parameters on the average momentum of the particle pair is also investigated. Specifically, we present the analytical formulas that allow one to estimate the effect of suppressing the correlation functions in a finite canonical system. The results can be used for the femtoscopy analysis of the A +A and p +p collisions with selected (fixed) multiplicity.

  7. Multiple quantum nuclear magnetic resonance of solids: A cautionary note for data analysis and interpretation

    NASA Astrophysics Data System (ADS)

    Lacelle, Serge; Hwang, Son-Jong; Gerstein, Bernard C.

    1993-12-01

    The conventional method of data analysis and interpretation of time-resolved multiple quantum (MQ) nuclear magnetic resonance (NMR) spectra of solids is closely examined. Intensity profiles of experimental 1H MQ NMR spectra of polycrystalline adamantane and hexamethylbenzene serve to test the Gaussian statistical model approach. Consequences of this model are explored with a least-squares fitting procedure, transformation of data to yield linear plots, and a scaling analysis. Non-Gaussian behavior of the MQ NMR spectral intensity profiles, as a function of order of coherences, is demonstrated with all these methods of analysis. A heuristic argument, based on the multiplicative properties of dipolar coupling constants in the equation of motion of the density operator, leads to the prediction of exponentially decaying MQ NMR spectral intensity profiles. Scaling analysis and semilog plots of experimental time-resolved MQ NMR spectra of adamantane and hexamethylbenzene support this deduction. Dynamical scale invariance in the growth process of multiple spin coherences is revealed with this new approach. The validity of spin counting in solids with MQ NMR is discussed in light of the present results.

  8. Multiple quantum nuclear magnetic resonance of solids: A cautionary note for data analysis and interpretation

    SciTech Connect

    Lacelle, S. ); Hwang, S. ); Gerstein, B.C. )

    1993-12-01

    The conventional method of data analysis and interpretation of time-resolved multiple quantum (MQ) nuclear magnetic resonance (NMR) spectra of solids is closely examined. Intensity profiles of experimental [sup 1]H MQ NMR spectra of polycrystalline adamantane and hexamethylbenzene serve to test the Gaussian statistical model approach. Consequences of this model are explored with a least-squares fitting procedure, transformation of data to yield linear plots, and a scaling analysis. Non-Gaussian behavior of the MQ NMR spectral intensity profiles, as a function of order of coherences, is demonstrated with all these methods of analysis. A heuristic argument, based on the multiplicative properties of dipolar coupling constants in the equation of motion of the density operator, leads to the prediction of exponentially decaying MQ NMR spectral intensity profiles. Scaling analysis and semilog plots of experimental time-resolved MQ NMR spectra of adamantane and hexamethylbenzene support this deduction. Dynamical scale invariance in the growth process of multiple spin coherences is revealed with this new approach. The validity of spin counting in solids with MQ NMR is discussed in light of the present results.

  9. Synthesis, structural, and spectroscopic (FT-IR, NMR, and UV) Characterization of 1-(Cyclohexylmethyl)-2-(pyridin-2-yl)-1 H-benzo[ d]imidazole by experimental techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Özdemir, Namık; Dayan, Osman; Demirmen, Selin

    2016-05-01

    The title compound ( II), 1-(cyclohexylmethyl)-2-(pyridin-2-yl)-1 H-benzo[ d]imidazole (C19H21N3), was synthesized via N-alkylation of 2-(pyridin-2-yl)-1 H-benzo[ d]imidazole ( I). Both compounds I and II were characterized by IR, NMR and UV-vis spectroscopy. Solid-state structure of compound II was determined by single-crystal X-ray diffraction technique. Furthermore, quantum chemical calculations employing density functional theory (DFT/B3LYP) method with the 6-311++ G( d, p) basis set were performed for the theoretical characterization of the molecular and spectroscopic features of the compounds. Using the TD-DFT method, electronic absorption spectra of the compounds have been predicted at same level. When the obtained results were compared with the experimental findings, it is seen that theoretical results support the experimental data and a good agreement exists between them.

  10. Quantum Dot Solar Cells: High Efficiency through Multiple Exciton Generation

    SciTech Connect

    Hanna, M. C.; Ellingson, R. J.; Beard, M.; Yu, P.; Micic, O. I.; Nozik, A. J.; c.

    2005-01-01

    Impact ionization is a process in which absorbed photons in semiconductors that are at least twice the bandgap can produce multiple electron-hole pairs. For single-bandgap photovoltaic devices, this effect produces greatly enhanced theoretical thermodynamic conversion efficiencies that range from 45-85%, depending upon solar concentration, the cell temperature, and the number of electron-hole pairs produced per photon. For quantum dots (QDs), electron-hole pairs exist as excitons. We have observed astoundingly efficient multiple exciton generation (MEG) in QDs of PbSe (bulk Eg = 0.28 eV), ranging in diameter from 3.9 to 5.7nm (Eg = 0.73, 0.82, and 0.91 eV, respectively). The effective masses of electron and holes are about equal in PbSe, and the onset for efficient MEG occurs at about three times the QD HOMO-LUMO transition (its ''bandgap''). The quantum yield rises quickly after the onset and reaches 300% at 4 x Eg (3.64 eV) for the smallest QD; this means that every QD in the sample produces three electron-hole pairs/photon.

  11. 1-Vinyl-5-amino-1 H-tetrazole: X-ray molecular and crystal structures and quantum-chemical DFT calculations

    NASA Astrophysics Data System (ADS)

    Lyakhov, Alexander S.; Matulis, Vadim E.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Oleg A.

    2008-03-01

    The crystal and molecular structures of 1-vinyl-5-amino-1 H-tetrazole (VAT) were determined by single crystal X-ray diffraction. The amino group lies in the plane of the tetrazole ring and valence angles around the N atom are close to 120°, the exocyclic C sbnd N amino bond being substantially shorter in comparison with "normal" C sbnd N bond. Natural bond orbital analysis was performed, using density functional theory B3LYP method, to explain the structural peculiarities of crystalline VAT. By using MO calculations, relative stability of all possible tautomeric forms of protonated VAT molecule was investigated.

  12. Quantum-chemical insight into structure-reactivity relationship in 4,5,6,7-tetrahalogeno-1H-benzimidazoles: a combined X-ray, DSC, DFT/QTAIM, Hirshfeld surface-based, and molecular docking approach.

    PubMed

    Latosińska, Jolanta Natalia; Latosińska, Magdalena; Maurin, Jan Krzysztof; Orzeszko, Andrzej; Kazimierczuk, Zygmunt

    2014-03-20

    The weak interaction patterns in 4,5,6,7-tetrahalogeno-1H-benzimidazoles, protein kinase CK2 inhibitors, in solid state are studied by the X-ray method and quantum chemistry calculations. The crystal structures of 4,5,6,7-tetrachloro- and 4,5,6,7-tetrabromo-1H-benzimidazole are determined by X-ray diffraction and refined to a final R-factor of 3.07 and 3.03%, respectively, at room temperature. The compound 4,5,6,7-tetrabromo-1H-benzimidazole, which crystallizes in the I41/a space group, is found to be isostructural with previously studied 4,5,6,7-tetraiodo-1H-benzimidazole in contrast to 4,5,6,7-tetrachloro-1H-benzimidazole, which crystallizes as triclinic P1̅ with 4 molecules in elementary unit. For 4,5,6,7-tetrachloro-1H-benzimidazole, differential scanning calorimetry (DSC) revealed a second order glassy phase transition at Tg = 95°/106° (heating/cooling), an indication of frozen disorder. The lack of 3D isostructurality found in all 4,5,6,7-tetrahalogeno-1H-benzimidazoles is elucidated on the basis of the intra- and intermolecular interactions (hydrogen bonding, van der Waals contacts, and C-H···π interactions). The topological Bader's Quantum Theory of Atoms in Molecules (QTAIM) and Spackman's Hirshfeld surface-based approaches reveal equilibration of electrostatic matching and dispersion van der Waals interactions between molecules consistent with the crystal site-symmetry. The weakening of van der Waals forces accompanied by increasing strength of the hydrogen bond (N-H···N) result in a decrease in the crystal site-symmetry and a change in molecular packing in the crystalline state. Crystal packing motifs were investigated with the aid of Hirshfeld surface fingerprint plots. The ordering 4,5,6,7-tetraiodo > 4,5,6,7-tetrabromo > 4,5,6,7-tetrachloro > 4,5,6,7-tetrafluoro reflects not only a decrease in crystal symmetry but also increase in chemical reactivity (electronic activation), which could explain some changes in biological activity of

  13. Primidone - An antiepileptic drug - characterisation by quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR and UV-Visible) investigations

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Santhanam, R.; Subramanian, S.; Mohan, S.

    2013-05-01

    The solid phase FTIR and FT-Raman spectra of primidone were recorded in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The vibrational spectra were analysed and the observed fundamentals were assigned and analysed. The experimental wavenumbers were compared with the theoretical scaled vibrational wavenumbers determined by DFT methods. The Raman intensities were also determined with B3LYP/6-31G(d,p) method. The total electron density and molecular electrostatic potential surface of the molecule were constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron + nuclei) distribution. The HOMO and LUMO energies were measured. Natural bond orbital analysis of primidone has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR spectra were recorded and the chemical shifts of the molecule were calculated.

  14. Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 5-nitro-2-phenylbenzoxazole

    NASA Astrophysics Data System (ADS)

    Bhagyasree, J. B.; Varghese, Hema Tresa; Panicker, C. Yohannan; Samuel, Jadu; Van Alsenoy, Christian; Ertan-Bolelli, Tugba; Yildiz, Ilkay

    2014-04-01

    The optimized molecular structure, vibrational wavenumbers, corresponding vibrational assignments of 5-nitro-2-phenylbenzoxazole have been investigated experimentally and theoretically. The energy and oscillator strength calculated by Time Dependent Density Functional Theory results almost compliments with experimental findings. Gauge-including atomic orbital 1H-NMR chemical shifts calculations were carried out and compared with experimental data. The HOMO and LUMO analysis is used to determine the charge transfer with in the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. molecular electrostatic potential was performed by the DFT method and the infrared intensities and Raman activities are also been reported. Fist hyperpolarizability is calculated in order to find its role in nonlinear optics. Antimicrobial properties indicated that the title compound possessed a broad spectrum activity against the tested Gram-positive, Gram-negative bacteria.

  15. Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with quinoline, isoquinoline, and 2,2'-biquinoline.

    PubMed

    Pazderski, Leszek; Tousek, Jaromír; Sitkowski, Jerzy; Kozerski, Lech; Szłyk, Edward

    2007-12-01

    1H, 13C, and 15N NMR studies of platinide(II) (M=Pd, Pt) chloride complexes with quinolines (L=quinoline-quin, or isoquinoline-isoquin; LL=2,2'-biquinoline-bquin), having the general formulae trans-/cis-[ML2Cl2] and [M(LL)Cl2], were performed and the respective chemical shifts (delta1H, delta13C, delta15N) reported. 1H coordination shifts of various signs and magnitudes (Delta1Hcoord=delta1Hcomplex-delta1Hligand) are discussed in relation to the changes of diamagnetic contribution to the relevant 1H shielding constants. The comparison to the literature data for similar complexes containing auxiliary ligands other than chlorides exhibited a large dependence of delta1H parameters on electron density variations and ring-current effects (inductive and anisotropic phenomena). The influence of deviations from planarity, concerning either MN2Cl2 chromophores or azine ring systems, revealed by the known X-ray structures of [Pd(bquin)Cl2] and [Pt(bquin)Cl2], is discussed in respect to 1H NMR spectra. 15N coordination shifts (Delta15Ncoord=delta15Ncomplex-delta15Nligand) of ca. 78-100 ppm (to lower frequency) are attributed mainly to the decrease of the absolute value of paramagnetic contribution in the relevant 15N shielding constants, this phenomenon being noticeably dependent on the type of a platinide metal and coordination sphere geometry. The absolute magnitude of Delta15Ncoord parameter increased by ca 15 ppm upon Pd(II)-->Pt(II) replacement but decreased by ca. 15 ppm following trans-->cis transition. Experimental 1H, 13C, 15N NMR chemical shifts are compared to those quantum-chemically calculated by B3LYP/LanL2DZ+6-31G**//B3LYP/LanL2DZ+6-31G*, both in vacuo and in CHCl3 or DMF solution. PMID:18044805

  16. Scalable generation of multiple quantum correlated beams from hot rubidium vapors

    NASA Astrophysics Data System (ADS)

    Jing, Jietai; Qin, Zhongzhong; Wang, Hailong; Kong, Jia; Cao, Leiming; Zhang, Weiping

    2013-05-01

    Quantum correlation and quantum entanglement shared among multiple quantum nodes are the fundamental ingredients for the future quantum internet. In order to make an efficient quantum interface between multi-mode quantum light sources and the atomic ensemble which has been proven to be a good candidate for quantum memory and quantum repeater, it is necessary to generate the multimode quantum light sources which match the atomic transition lines of the atomic ensemble. Here we present a scalable method for generating the multiple quantum correlated beams by using multiple four wave mixing processes in hot Rubidium vapor and we experimentally showed that the strong quantum correlation among the three bright beams. Their relative intensity difference is -5.6dB below the correspondent shot noise limit and the squeezing from only one vapor cell in such system is -3.5dB. This result agrees with our theoretical prediction that the quantum correlation in our scheme increases as the number of quantum modes increases. Our method also has the advantages of scalability and potential applications in producing multipartite quantum entangled images.

  17. Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines.

    PubMed

    Pazderski, Leszek; Tousek, Jaromír; Sitkowski, Jerzy; Malináková, Katerina; Kozerski, Lech; Szłyk, Edward

    2009-03-01

    (1)H, (13)C and (15)N NMR studies of gold(III), palladium(II) and platinum(II) chloride complexes with picolines, [Au(PIC)Cl(3)], trans-[Pd(PIC)(2)Cl(2)], trans/cis-[Pt(PIC)(2)Cl(2)] and [Pt(PIC)(4)]Cl(2), were performed. After complexation, the (1)H and (13)C signals were shifted to higher frequency, whereas the (15)N ones to lower (by ca 80-110 ppm), with respect to the free ligands. The (15)N shielding phenomenon was enhanced in the series [Au(PIC)Cl(3)] < trans-[Pd(PIC)(2)Cl(2)] < cis-[Pt(PIC)(2)Cl(2)] < trans-[Pt(PIC)(2)Cl(2)]; it increased following the Pd(II) --> Pt(II) replacement, but decreased upon the trans --> cis-transition. Experimental (1)H, (13)C and (15)N NMR chemical shifts were compared to those quantum-chemically calculated by B3LYP/LanL2DZ + 6-31G**//B3LYP/LanL2DZ + 6-31G*. PMID:19097135

  18. Coherent nanocavity structures for enhancement in internal quantum efficiency of III-nitride multiple quantum wells

    SciTech Connect

    Kim, T.; Liu, B.; Smith, R.; Athanasiou, M.; Gong, Y.; Wang, T.

    2014-04-21

    A “coherent” nanocavity structure has been designed on two-dimensional well-ordered InGaN/GaN nanodisk arrays with an emission wavelength in the green spectral region, leading to a massive enhancement in resonance mode in the green spectra region. By means of a cost-effective nanosphere lithography technique, we have fabricated such a structure on an InGaN/GaN multiple quantum well epiwafer and have observed the “coherent” nanocavity effect, which leads to an enhanced spontaneous emission (SE) rate. The enhanced SE rate has been confirmed by time resolved photoluminescence measurements. Due to the coherent nanocavity effect, we have achieved a massive improvement in internal quantum efficiency with a factor of 88, compared with the as-grown sample, which could be significant to bridge the “green gap” in solid-state lighting.

  19. Novel multiple quantum well modulators for optical interconnects

    NASA Astrophysics Data System (ADS)

    Krol, Mark F.; Boncek, Raymond K.; Hayduk, Michael J.; Ten, Sergey Y.; Ohtsuki, Tomoko; McGinnis, Brian P.; Khitrova, Galina; Gibbs, Hyatt M.; Peyghambarian, Nasser

    1995-02-01

    Novel multiple quantum well (MQW) optical modulators for use in time-division optical fiber interconnects are presented. A bit-error-rate analysis of a time-division receiver indicates high contrast ratio optical gates are required for high-speed interconnect applications. A high contrast MQW gate, consisting of a nonlinear asymmetric reflection modulator, suitable for use in optical time-division systems is presented which utilizes the GaAlInAs alloy lattice- matched to InP. This system is ideal for optical interconnect applications since MQW materials and devices are easily designed for operation in the optical fiber transmission windows of 1.3 and 1.5 micrometers . Utilizing asymmetric double quantum wells (ADQWs) as the nonlinear spacer for the asymmetric reflection modulator also is discussed. The recovery time of ADQWs can be tailored for interconnect applications by choosing the optimum width of the tunnel barrier. Electro-optic modulators which utilize real space transfer of electrons in ADQWs also are presented.

  20. Quantum teleportation scheme by selecting one of multiple output ports

    NASA Astrophysics Data System (ADS)

    Ishizaka, Satoshi; Hiroshima, Tohya

    2009-04-01

    The scheme of quantum teleportation, where Bob has multiple (N) output ports and obtains the teleported state by simply selecting one of the N ports, is thoroughly studied. We consider both the deterministic version and probabilistic version of the teleportation scheme aiming to teleport an unknown state of a qubit. Moreover, we consider two cases for each version: (i) the state employed for the teleportation is fixed to a maximally entangled state and (ii) the state is also optimized as well as Alice’s measurement. We analytically determine the optimal protocols for all the four cases and show the corresponding optimal fidelity or optimal success probability. All these protocols can achieve the perfect teleportation in the asymptotic limit of N→∞ . The entanglement properties of the teleportation scheme are also discussed.

  1. Spectral analysis, structural elucidation, and evaluation of both nonlinear optical properties and chemical reactivity of a newly synthesized ethyl-3,5-dimethyl-4-[(toluenesulfonyl)-hydrazonomethyl]-1H-pyrrole-2-carboxylate through experimental studies and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Singh, R. N.; Rawat, Poonam

    2013-12-01

    As part of study of hydrazide-hydrazones, we have synthesized ethyl-3,5-dimethyl-4-[(toluenesulfonyl)-hydrazonomethyl]-1H-pyrrole-2-carboxylate (EDTHMPC) and characterized by elemental analysis, FT-IR, UV-Vis, 1H, 13C NMR and Mass spectroscopy. The structure, spectral and thermodynamic parameters of EDTHMPC were quantum chemically calculated performing density functional level theory (DFT) with B3LYP functional and 6-31G (d,p) basis set. Electrophilic charge transfer (ECT) values of interacting molecules indicate that charge flows from p-toluene sulphonyl-hydrazide to ethyl-3,5-dimethyl-4-formyl-1H-pyrrole-2-carboxylate confirming the formation of product by nucleophilic attack. The calculated and experimental wavenumbers analysis confirms the formation of dimer. The calculated changes in thermodynamic quantities during dimer formation in gaseous phase have the negative values for ΔH, ΔG (kcal/mol) and ΔS (cal/mol-K) indicating that the dimer formation is exothermic and will proceed only at low temperature. The strength and nature of hydrogen bonding and weak interactions in dimer have been analyzed by 'Quantum theory of atoms in molecules' (QTAIM) and found to be five types of interactions in which three types are (C⋯N, CH⋯O and CH⋯HC) intramolecular and two types are (CO⋯HN and CH⋯OC) intermolecular. The calculated binding energy of dimer using DFT and QTAIM theory are 14.32 and 15.41 kcal/mol, respectively. The β0 value for monomer is calculated as 11.54 x 10-30 esu indicating microscopic nonlinear optical (NLO) behavior with non-zero values.

  2. Multiple particle production processes in the light'' of quantum optics

    SciTech Connect

    Friedlander, E.M.

    1990-09-01

    Ever since the observation that high-energy nuclear active'' cosmic-ray particles create bunches of penetrating particles upon hitting targets, a controversy has raged about whether these secondaries are created in a single act'' or whether many hadrons are just the result of an intra-nuclear cascade, yielding one meson in every step. I cannot escape the impression that: the latter kind of model appeals naturally as a consequence of an innate bio-morphism in our way of thinking and that in one guise or another it has tenaciously survived to this day, also for hadron-hadron collisions, via multi-peripheral models to the modern parton shower approach. Indeed, from the very beginning of theoretical consideration of multiparticle production, the possibility of many particles arising from a single hot'' system has been explored, with many fruitful results, not the least of which are the s{sup 1/4} dependence of the mean produced particle multiplicity and the thermal'' shape of the P{sub T} spectra. An important consequence of the thermodynamical-hydrodynamical models is that particle emission is treated in analogy to black-body radiation, implying for the secondaries a set of specific Quantum-Statistical properties, very similar to those observed in quantum optics. From here on I shall try to review a number of implications and applications of this QS analogy in the study of multiplicity distributions of the produced secondaries. I will touch only in passing another very important topic of this class, the Bose-Einstein two-particle correlations.

  3. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of O-desmethyltramadol hydrochloride an active metabolite in tramadol - An analgesic drug

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Santhanam, R.; Marchewka, M. K.; Mohan, S.

    2014-03-01

    O-desmethyltramadol is one of the main metabolites of tramadol widely used clinically and has analgesic activity. The FTIR and FT-Raman spectra of O-desmethyl tramadol hydrochloride are recorded in the solid phase in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The observed fundamentals are assigned to different normal modes of vibration. Theoretical studies have been performed as its hydrochloride salt. The structure of the compound has been optimised with B3LYP method using 6-31G** and cc-pVDZ basis sets. The optimised bond length and bond angles are correlated with the X-ray data. The experimental wavenumbers were compared with the scaled vibrational frequencies determined by DFT methods. The IR and Raman intensities are determined with B3LYP method using cc-pVDZ and 6-31G(d,p) basic sets. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/cc-pVDZ method to display electrostatic potential (electron + nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of O-desmethyltramadol hydrochloride has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR chemical shifts of the molecule have been anlysed.

  4. Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV) investigations of antiepileptic drug Ethosuximide

    NASA Astrophysics Data System (ADS)

    Vijaya Chamundeeswari, S. P.; James Jebaseelan Samuel, E.; Sundaraganesan, N.

    2011-12-01

    The Fourier Transform Infrared (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of antiepileptic drug Ethosuximide (ETX) have been recorded and analyzed. In addition, the IR spectra in CCl 4 at various concentrations of ETX are also recorded. The equilibrium geometry, bonding features and harmonic vibrational frequencies have been investigated with the help of Density Functional Theory (DFT) method. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge Including Atomic Orbital (GIAO) method. Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the σ * and π * antibonding orbitals and second order delocalization energies E(2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by Time-Dependent Density Functional Theory (TD-DFT) approach. Finally the calculation results were applied to simulate infrared and Raman spectra of the title compound which showed good agreement with observed spectra.

  5. FT-IR, Laser-Raman spectra and quantum chemical calculations of methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate-A DFT approach

    NASA Astrophysics Data System (ADS)

    Sert, Yusuf; Sreenivasa, S.; Doğan, H.; Manojkumar, K. E.; Suchetan, P. A.; Ucun, Fatih

    2014-06-01

    In this study the experimental and theoretical vibrational frequencies of a newly synthesized anti-tumor and anti-inflammatory agent namely, methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate have been investigated. The experimental FT-IR (4000-400 cm-1) and Laser-Raman spectra (4000-100 cm-1) of the molecule in solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths, bond angles and torsion angles) have been calculated using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr and DFT/M06-2X: highly parameterized, empirical exchange correlation function) with 6-311++G(d,p) basis set by Gaussian 03 software, for the first time. The assignments of the vibrational frequencies have been done by potential energy distribution (PED) analysis using VEDA 4 software. The theoretical optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data and results in the literature. In addition, the highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital (LUMO) energy and the other related molecular energy values of the compound have been investigated using the same theoretical calculations.

  6. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

    SciTech Connect

    Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.; Martinez, Todd J.

    2014-08-07

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  7. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

    NASA Astrophysics Data System (ADS)

    Makhov, Dmitry V.; Glover, William J.; Martinez, Todd J.; Shalashilin, Dmitrii V.

    2014-08-01

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as "cloning," in analogy to the "spawning" procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, "trains," as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  8. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.

    PubMed

    Makhov, Dmitry V; Glover, William J; Martinez, Todd J; Shalashilin, Dmitrii V

    2014-08-01

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as "cloning," in analogy to the "spawning" procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, "trains," as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions. PMID:25106573

  9. Experimental Generation of Multiple Quantum Correlated Beams from Hot Rubidium Vapor

    NASA Astrophysics Data System (ADS)

    Qin, Zhongzhong; Cao, Leiming; Wang, Hailong; Marino, A. M.; Zhang, Weiping; Jing, Jietai

    2014-07-01

    Quantum correlations and entanglement shared among multiple quantum modes are important for both fundamental science and the future development of quantum technologies. This development will also require an efficient quantum interface between multimode quantum light sources and atomic ensembles, which makes it necessary to implement multimode quantum light sources that match the atomic transitions. Here, we report on such a source that provides a method for generating quantum correlated beams that can be extended to a large number of modes by using multiple four-wave mixing (FWM) processes in hot rubidium vapor. Experimentally, we show that two cascaded FWM processes produce strong quantum correlations between three bright beams but not between any two of them. In addition, the intensity-difference squeezing is enhanced with the cascaded system to -7.0±0.1 dB from the -5.5±0.1/-4.5±0.1 dB squeezing obtained with only one FWM process. One of the main advantages of our system is that as the number of quantum modes increases, so does the total degree of quantum correlations. The proposed method is also immune to phase instabilities due to its phase insensitive nature, can easily be extended to multiple modes, and has potential applications in the production of multiple quantum correlated images.

  10. Comment on "Quantum Superimposing Multiple Anti-Cloning Machine"

    NASA Astrophysics Data System (ADS)

    Chang, Da-Wei

    2015-03-01

    Recently, Li et al. (Int. J. Theor. Phys. 46, 2599, 2007) has constructed the quantum superimposing multiple anti-cloning machine, moreover established the sufficient and necessary condition of this machine exists. In the proofs given by Li et al. (Int. J. Theor. Phys. 46, 2599, 2007), claimed that the following key fact to hold : Fact For an arbitrary unknown state | ψ> belongs to n-dimensional Hilbert space, there exists an antiunitary operator K such that K| ψ>=| ψ ⊥> here the state | ψ ⊥> is an orthogonal complement state of | ψ>, that is, it satisfies the following two conditions < ψ| K| ψ>=< ψ| ψ ⊥>=0 and < ψ| ψ>=< ψ ⊥| ψ ⊥>=1 In this Comment, we would like to point out that (a). In 1-dimensional Hilbert space, for an arbitrary unknown state | ψ>, the antiunitary operator K and the orthogonal complement state both do not exist in general. (b). In 3-dimensional Hilbert space, for an arbitrary unknown state | ψ>, the antiunitary operator K do not exist in general, there are uncountably many orthogonal complement states that can be constructed through the skew-symmetric operator, but is not unitary one. Which shows that above Fact given by Li et al. [1] is incorrect in general for both 1 and 3-dimensional Hilbert space

  11. U1h Superstructure

    SciTech Connect

    Glen Sykes

    2000-11-01

    The U1H Shaft Project is a design build subcontract to supply the U. S. Department of Energy (DOE) a 1,045 ft. deep, 20 ft. diameter, concrete lined shaft for unspecified purposes. The subcontract awarded to Atkinson Construction by Bechtel Nevada to design and construct the shaft for the DOE has been split into phases with portions of the work being released as dictated by available funding. The first portion released included the design for the shaft, permanent hoist, headframe, and collar arrangement. The second release consisted of constructing the shaft collar to a depth of 110 ft., the service entry, utility trenches, and installation of the temporary sinking plant. The temporary sinking plant included the installation of the sinking headframe, the sinking hoist, two deck winches, the shaft form, the sinking work deck, and temporary utilities required to sink the shaft. Both the design and collar construction were completed on schedule. The third release consisted of excavating and lining the shaft to the station depth of approximately 950 feet. Work is currently proceeding on this production sinking phase. At a depth of approximately 600 feet, Atkinson has surpassed production expectation and is more than 3 months ahead of schedule. Atkinson has employed the use of a Bobcat 331 excavator as the primary means of excavation. the shaft is being excavated entirely in an alluvial deposit with varying degrees of calcium carbonate cementation. Several more work packages are expected to be released in the near future. The remaining work packages include, construction of the shaft station a depth of 975 ft. and construction of the shaft sump to a depth of 1,045 ft., installation of the loading pocket and station steel and equipment, installation of the shaft steel and guides, installation of the shaft utilities, and installation of the permanent headframe, hoist, collar utilities, and facilities.

  12. A combined experimental and theoretical (DFT and AIM) studies on synthesis, molecular structure, spectroscopic properties and multiple interactions analysis in a novel ethyl-4-[2-(thiocarbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer.

    PubMed

    Singh, R N; Kumar, Amit; Tiwari, R K; Rawat, Poonam

    2013-08-01

    In the present work, ethyl-4-[2-(thiocarbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate (3) has been synthesized and characterized by (1)H NMR, UV-Vis, FT-IR and Mass spectroscopy. The formation of the compound and its properties have also been evaluated by quantum chemical calculations using DFT, B3LYP functional and 6-31G(d,p) as basis set. The calculated thermodynamic parameters show that the formation of 3 is an exothermic and spontaneous reaction at room temperature. (1)H NMR chemical shifts are calculated using gauge including atomic orbitals (GIAO) approach in DMSO-d6 as solvent. Time dependent density functional theory (TD-DFT) is used to calculate the energy (E), oscillator strength (f) and wavelength absorption maxima (λ(max)) of various electronic transitions and their nature within the molecule. NBO analysis is carried out to investigate the charge transfer or charge delocalization in various intra- and intermolecular interactions of molecular system. The vibrational analysis indicates the formation of dimer in the solid state by intermolecular heteronuclear hydrogen bonding (NH···O). Topological parameters at bond critical points (BCP) are calculated to analyze the strength and nature of various types of intra and intermolecular interactions in dimer by Bader's 'Atoms in molecules' AIM theory in detail. The binding energy of intermolecular multiple interactions is calculated to be 15.54 kcal/mol, using AIM calculation. The local reactivity descriptors such as Fukui functions (f(k)(+),f(k)(-)), local softnesses (s(k)(+),s(k)(-)) and electrophilicity indices (ω(k)(+),ω(k)(-)) analyses are performed to determine the reactive sites within molecule. PMID:23666353

  13. Single-photon quantum router with multiple output ports.

    PubMed

    Yan, Wei-Bin; Fan, Heng

    2014-01-01

    The routing capability is a requisite in quantum network. Although the quantum routing of signals has been investigated in various systems both in theory and experiment, the general form of quantum routing with many output terminals still needs to be explored. Here we propose a scheme to achieve the multi-channel quantum routing of the single photons in a waveguide-emitter system. The channels are composed by the waveguides and are connected by intermediate two-level emitters. By adjusting the intermediate emitters, the output channels of the input single photons can be controlled. This is demonstrated in the cases of one output channel, two output channels and the generic N output channels. The results show that the multi-channel quantum routing of single photons can be well achieved in the proposed system. This offers a scheme for the experimental realization of general quantum routing of single photons. PMID:24769619

  14. Optimized multiple quantum MAS lineshape simulations in solid state NMR

    NASA Astrophysics Data System (ADS)

    Brouwer, William J.; Davis, Michael C.; Mueller, Karl T.

    2009-10-01

    The majority of nuclei available for study in solid state Nuclear Magnetic Resonance have half-integer spin I>1/2, with corresponding electric quadrupole moment. As such, they may couple with a surrounding electric field gradient. This effect introduces anisotropic line broadening to spectra, arising from distinct chemical species within polycrystalline solids. In Multiple Quantum Magic Angle Spinning (MQMAS) experiments, a second frequency dimension is created, devoid of quadrupolar anisotropy. As a result, the center of gravity of peaks in the high resolution dimension is a function of isotropic second order quadrupole and chemical shift alone. However, for complex materials, these parameters take on a stochastic nature due in turn to structural and chemical disorder. Lineshapes may still overlap in the isotropic dimension, complicating the task of assignment and interpretation. A distributed computational approach is presented here which permits simulation of the two-dimensional MQMAS spectrum, generated by random variates from model distributions of isotropic chemical and quadrupole shifts. Owing to the non-convex nature of the residual sum of squares (RSS) function between experimental and simulated spectra, simulated annealing is used to optimize the simulation parameters. In this manner, local chemical environments for disordered materials may be characterized, and via a re-sampling approach, error estimates for parameters produced. Program summaryProgram title: mqmasOPT Catalogue identifier: AEEC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEC_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3650 No. of bytes in distributed program, including test data, etc.: 73 853 Distribution format: tar.gz Programming language: C, OCTAVE Computer: UNIX

  15. Multiple-event probability in general-relativistic quantum mechanics

    SciTech Connect

    Hellmann, Frank; Mondragon, Mauricio; Perez, Alejandro; Rovelli, Carlo

    2007-04-15

    We discuss the definition of quantum probability in the context of 'timeless' general-relativistic quantum mechanics. In particular, we study the probability of sequences of events, or multievent probability. In conventional quantum mechanics this can be obtained by means of the 'wave function collapse' algorithm. We first point out certain difficulties of some natural definitions of multievent probability, including the conditional probability widely considered in the literature. We then observe that multievent probability can be reduced to single-event probability, by taking into account the quantum nature of the measuring apparatus. In fact, by exploiting the von-Neumann freedom of moving the quantum/classical boundary, one can always trade a sequence of noncommuting quantum measurements at different times, with an ensemble of simultaneous commuting measurements on the joint system+apparatus system. This observation permits a formulation of quantum theory based only on single-event probability, where the results of the wave function collapse algorithm can nevertheless be recovered. The discussion also bears on the nature of the quantum collapse.

  16. Storage of multiple single-photon pulses emitted from a quantum dot in a solid-state quantum memory

    PubMed Central

    Tang, Jian-Shun; Zhou, Zong-Quan; Wang, Yi-Tao; Li, Yu-Long; Liu, Xiao; Hua, Yi-Lin; Zou, Yang; Wang, Shuang; He, De-Yong; Chen, Geng; Sun, Yong-Nan; Yu, Ying; Li, Mi-Feng; Zha, Guo-Wei; Ni, Hai-Qiao; Niu, Zhi-Chuan; Li, Chuan-Feng; Guo, Guang-Can

    2015-01-01

    Quantum repeaters are critical components for distributing entanglement over long distances in presence of unavoidable optical losses during transmission. Stimulated by the Duan–Lukin–Cirac–Zoller protocol, many improved quantum repeater protocols based on quantum memories have been proposed, which commonly focus on the entanglement-distribution rate. Among these protocols, the elimination of multiple photons (or multiple photon-pairs) and the use of multimode quantum memory are demonstrated to have the ability to greatly improve the entanglement-distribution rate. Here, we demonstrate the storage of deterministic single photons emitted from a quantum dot in a polarization-maintaining solid-state quantum memory; in addition, multi-temporal-mode memory with 1, 20 and 100 narrow single-photon pulses is also demonstrated. Multi-photons are eliminated, and only one photon at most is contained in each pulse. Moreover, the solid-state properties of both sub-systems make this configuration more stable and easier to be scalable. Our work will be helpful in the construction of efficient quantum repeaters based on all-solid-state devices. PMID:26468996

  17. Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Asiri, Abdullah M.; Kurt, Mustafa

    2014-01-01

    The spectroscopic properties of 3,5-difluorophenylboronic acid (3,5-DFPBA, C6H3F2B(OH)2) were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C NMR spectroscopic techniques. FT-IR (4000-400 cm-1) and FT-Raman spectra (3500-10 cm-1) in the solid phase and 1H and 13C NMR spectra in DMSO solution were recorded. The UV spectra that dissolved in ethanol and water were recorded in the range of 200-400 nm for each solution. The structural and spectroscopic data of the molecule have been obtained for possible three conformers from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Hydrogen-bonded dimer of title molecule, optimized by counterpoise correction, was also studied B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. The effects due to the substitutions of boric acid group and halogen were investigated. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), nonlinear optical properties (NLO) and thermodynamic features were performed.

  18. Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120.

    PubMed

    Davis, Nathaniel J L K; Böhm, Marcus L; Tabachnyk, Maxim; Wisnivesky-Rocca-Rivarola, Florencia; Jellicoe, Tom C; Ducati, Caterina; Ehrler, Bruno; Greenham, Neil C

    2015-01-01

    Multiple-exciton generation-a process in which multiple charge-carrier pairs are generated from a single optical excitation-is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley-Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation. PMID:26411283

  19. Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120%

    PubMed Central

    Davis, Nathaniel J. L. K.; Böhm, Marcus L.; Tabachnyk, Maxim; Wisnivesky-Rocca-Rivarola, Florencia; Jellicoe, Tom C.; Ducati, Caterina; Ehrler, Bruno; Greenham, Neil C.

    2015-01-01

    Multiple-exciton generation—a process in which multiple charge-carrier pairs are generated from a single optical excitation—is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley–Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation. PMID:26411283

  20. Multiple surface plasmons in an unbounded quantum plasma half-space

    NASA Astrophysics Data System (ADS)

    Palade, D. I.

    2016-07-01

    The propagation of surface plasmons on a quantum plasma half-space in the absence of any external confinement is investigated. By means of the Quantum Hydrodynamic Model in the electrostatic limit, it is found that the equilibrium density profile is a smooth continuous function which, in the linear regime, supports multiple non-normal surface modes. Defining a spectrum function and using a cutting condition, the dispersion relations of these modes and their relevance for realistic dynamics are computed. It is found that the multiple surface plasmons present a significant red-shift with respect to the case of fully bounded quantum plasmas.

  1. Time Dependent Study of Multiple Exciton Generation in Nanocrystal Quantum Dots

    NASA Astrophysics Data System (ADS)

    Damtie, Fikeraddis A.; Wacker, Andreas

    2016-03-01

    We study the exciton dynamics in an optically excited nanocrystal quantum dot. Multiple exciton formation is more efficient in nanocrystal quantum dots compared to bulk semiconductors due to enhanced Coulomb interactions and the absence of conservation of momentum. The formation of multiple excitons is dependent on different excitation parameters and the dissipation. We study this process within a Lindblad quantum rate equation using the full many-particle states. We optically excite the system by creating a single high energy exciton ESX in resonance to a double exciton EDX. With Coulomb electron-electron interaction, the population can be transferred from the single exciton to the double exciton state by impact ionisation (inverse Auger process). The ratio between the recombination processes and the absorbed photons provide the yield of the structure. We observe a quantum yield of comparable value to experiment assuming typical experimental conditions for a 4 nm PbS quantum dot.

  2. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods

    NASA Astrophysics Data System (ADS)

    Bhavani, K.; Renuga, S.; Muthu, S.; Sankara narayanan, K.

    2015-02-01

    In this work, colorless crystals of 2-acetoxybenzoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-500 cm-1 and 4000-100 cm-1 respectively. Molecular structure is optimized with the help of density functional theory method (B3LYP) with 6-31+G(d,p), 6-311++G(d,p) basis sets. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ∗ antibonding orbitals and E(2) energies confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. The results of the calculations were applied to simulated spectra of the title compound, which show excellent agreement with observed spectra. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO method. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

  3. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl

    NASA Astrophysics Data System (ADS)

    Sebastian, S.; Sundaraganesan, N.; Karthikeiyan, B.; Srinivasan, V.

    2011-02-01

    The Fourier transform infrared (FT-IR) and FT-Raman of 4-methyl-2-cyanobiphenyl (4M2CBP) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) method. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge including atomic orbital (GIAO) method. The first order hyperpolarizability ( β0) of this novel molecular system and related properties ( β, α0 and Δ α) of 4M2CBP are calculated using HF/6-311G(d,p) method on the finite-field approach. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the σ* and π* antibonding orbitals and second order delocalization energies ( E2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) approach. Finally the calculations results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra.

  4. Observation of 1H-13C and 1H-1H proximities in a paramagnetic solid by NMR at high magnetic field under ultra-fast MAS.

    PubMed

    Li, Shenhui; Trébosc, Julien; Lafon, Olivier; Zhou, Lei; Shen, Ming; Pourpoint, Frédérique; Amoureux, Jean-Paul; Deng, Feng

    2015-02-01

    The assignment of NMR signals in paramagnetic solids is often challenging since: (i) the large paramagnetic shifts often mask the diamagnetic shifts specific to the local chemical environment, and (ii) the hyperfine interactions with unpaired electrons broaden the NMR spectra and decrease the coherence lifetime, thus reducing the efficiency of usual homo- and hetero-nuclear NMR correlation experiments. Here we show that the assignment of (1)H and (13)C signals in isotopically unmodified paramagnetic compounds with moderate hyperfine interactions can be facilitated by the use of two two-dimensional (2D) experiments: (i) (1)H-(13)C correlations with (1)H detection and (ii) (1)H-(1)H double-quantum↔single-quantum correlations. These methods are experimentally demonstrated on isotopically unmodified copper (II) complex of l-alanine at high magnetic field (18.8 T) and ultra-fast Magic Angle Spinning (MAS) frequency of 62.5 kHz. Compared to (13)C detection, we show that (1)H detection leads to a 3-fold enhancement in sensitivity for (1)H-(13)C 2D correlation experiments. By combining (1)H-(13)C and (1)H-(1)H 2D correlation experiments with the analysis of (13)C longitudinal relaxation times, we have been able to assign the (1)H and (13)C signals of each l-alanine ligand. PMID:25557861

  5. Carrier multiplication detected through transient photocurrent in device-grade films of lead selenide quantum dots

    PubMed Central

    Gao, Jianbo; Fidler, Andrew F.; Klimov, Victor I.

    2015-01-01

    In carrier multiplication, the absorption of a single photon results in two or more electron–hole pairs. Quantum dots are promising materials for implementing carrier multiplication principles in real-life technologies. So far, however, most of research in this area has focused on optical studies of solution samples with yet to be proven relevance to practical devices. Here we report ultrafast electro-optical studies of device-grade films of electronically coupled quantum dots that allow us to observe multiplication directly in the photocurrent. Our studies help rationalize previous results from both optical spectroscopy and steady-state photocurrent measurements and also provide new insights into effects of electric field and ligand treatments on multiexciton yields. Importantly, we demonstrate that using appropriate chemical treatments of the films, extra charges produced by carrier multiplication can be extracted from the quantum dots before they are lost to Auger recombination and hence can contribute to photocurrent of practical devices. PMID:26345390

  6. Carrier multiplication detected through transient photocurrent in device-grade films of lead selenide quantum dots

    SciTech Connect

    Gao, Jianbo; Fidler, Andrew F.; Klimov, Victor I.

    2015-09-08

    In carrier multiplication, the absorption of a single photon results in two or more electron–hole pairs. Quantum dots are promising materials for implementing carrier multiplication principles in real-life technologies. So far, however, most of research in this area has focused on optical studies of solution samples with yet to be proven relevance to practical devices. We report ultra-fast electro-optical studies of device-grade films of electronically coupled quantum dots that allow us to observe multiplication directly in the photocurrent. Our studies help rationalize previous results from both optical spectroscopy and steady-state photocurrent measurements and also provide new insights into effects of electric field and ligand treatments on multiexciton yields. Importantly, we demonstrate that using appropriate chemical treatments of the films, extra charges produced by carrier multiplication can be extracted from the quantum dots before they are lost to Auger recombination and hence can contribute to photocurrent of practical devices.

  7. Studies on molecular weaker interactions, spectroscopic analysis and chemical reactivity of synthesized ethyl 3,5-dimethyl-4-[3-(2-nitro-phenyl)-acryloyl]-1H-pyrrole-2-carboxylate through experimental and quantum chemical approaches

    NASA Astrophysics Data System (ADS)

    Singh, R. N.; Baboo, Vikas; Rawat, Poonam; Gupta, V. P.

    2013-04-01

    Ethyl 3,5-dimethyl-4-[3-(2-nitro-phenyl)-acryloyl]-1H-pyrrole-2-carboxylate (EDNPAPC) has been synthesized and characterized by 1H NMR, UV-Vis, FT-IR and Mass spectroscopy. Geometrical, spectral, thermodynamic properties have been calculated and evaluated using DFT level of theory, B3LYP functional and 6-31G(d,p) basis set. The observed absorption peaks at 364, 308 and 256 nm are corresponds to the calculated electronic transitions at 352, 286 nm and 252 nm respectively. The experimental data shows red shift in comparison to the calculated. The detailed vibrational analysis has been carried out with the aid of potential energy distribution (PED) and the experimental FTIR peaks confirm red shifts in Nsbnd H and Cdbnd O stretching bond as result of dimer formation. The multiple interactions present in the molecule have been evaluated with the help of QTAIM theory. The ellipticity values confirm the presence of resonance assisted hydrogen bonding in dimer formation. The binding energy of dimer formation through DFT and AIM calculations has been found to be 13.94 and 15.22 kcal/mol respectively. The binding energy of dimer after basis set superposition error (BSSE) found to be as 10.54 kcal/mol. Theoretical result from reactivity descriptors show that C6, C13 and C15 are more reactive sites for nucleophilic attack within molecule favoring the formation of heterocyclic compounds such as pyrazoline and oxazoline. The calculated β0 values for monomer and dimer are found to be as 1.8 × 10-30, 7.8 × 10-30 esu, respectively, indicating that this pyrrole chalcone is an attractive material for nonlinear optical (NLO) applications.

  8. Exact non-Markovian master equations for multiple qubit systems: Quantum-trajectory approach

    NASA Astrophysics Data System (ADS)

    Chen, Yusui; You, J. Q.; Yu, Ting

    2014-11-01

    A wide class of exact master equations for a multiple qubit system can be explicitly constructed by using the corresponding exact non-Markovian quantum-state diffusion equations. These exact master equations arise naturally from the quantum decoherence dynamics of qubit system as a quantum memory coupled to a collective colored noisy source. The exact master equations are also important in optimal quantum control, quantum dissipation, and quantum thermodynamics. In this paper, we show that the exact non-Markovian master equation for a dissipative N -qubit system can be derived explicitly from the statistical average of the corresponding non-Markovian quantum trajectories. We illustrated our general formulation by an explicit construction of a three-qubit system coupled to a non-Markovian bosonic environment. This multiple qubit master equation offers an accurate time evolution of quantum systems in various domains, and paves the way to investigate the memory effect of an open system in a non-Markovian regime without any approximation.

  9. Radiation induced crosslinking in a silica-filled silicone elastomer as investigated by multiple quantum H NMR

    SciTech Connect

    Maxwell, R S; Chinn, S C; Solyom, D; Cohenour, R

    2005-05-24

    DC745 is a commercially available silicone elastomer consisting of dimethyl, methylphenyl, and vinyl-methyl siloxane monomers crosslinked with a peroxide vinyl specific curing agent. It is generally considered to age gracefully and to be resistant to chemical and thermally harsh environments. However, little data exists on the radiation resistance of this commonly used silicone elastomer. We report static {sup 1}H NMR studies of residual dipolar couplings in DC745 solid elastomers subject to exposure to ionizing gamma radiation. {sup 1}H spin-echo NMR data shows that with increasing dose, the segmental dynamics decrease is consistent with radiatively induced crosslinking. {sup 1}H multiple quantum NMR was used to assess changes in the network structure and observed the presence of a bimodal distribution of residual dipolar couplings, <{Omega}{sub d}>, that were dose dependent. The domain with the lower <{Omega}{sub d}> has been assigned to the polymer network while the domain with the higher <{Omega}{sub d}> has been assigned to polymer chains interacting with the inorganic filler surfaces. In samples exposed to radiation, the residual dipolar couplings in both reservoirs were observed to increase and the populations were observed to be dose dependent. The NMR results are compared to Differential Scanning Calorimetry (DSC) and a two-step solvent swelling technique. The solvent swelling data lend support to the interpretation of the NMR results and the DSC data show both a decrease in the melt temperature and the heat of fusion with cumulative dose, consistent with radiative crosslinking. In addition, DSC thermograms obtained following a 3 hr isothermal soak at -40 C showed the presence of a second melt feature at T{sub m} {approx} -70 C consistent with a network domain with significantly reduced segmental motion.

  10. Quantum teleportation of multiple degrees of freedom of a single photon.

    PubMed

    Wang, Xi-Lin; Cai, Xin-Dong; Su, Zu-En; Chen, Ming-Cheng; Wu, Dian; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

    2015-02-26

    Quantum teleportation provides a 'disembodied' way to transfer quantum states from one object to another at a distant location, assisted by previously shared entangled states and a classical communication channel. As well as being of fundamental interest, teleportation has been recognized as an important element in long-distance quantum communication, distributed quantum networks and measurement-based quantum computation. There have been numerous demonstrations of teleportation in different physical systems such as photons, atoms, ions, electrons and superconducting circuits. All the previous experiments were limited to the teleportation of one degree of freedom only. However, a single quantum particle can naturally possess various degrees of freedom--internal and external--and with coherent coupling among them. A fundamental open challenge is to teleport multiple degrees of freedom simultaneously, which is necessary to describe a quantum particle fully and, therefore, to teleport it intact. Here we demonstrate quantum teleportation of the composite quantum states of a single photon encoded in both spin and orbital angular momentum. We use photon pairs entangled in both degrees of freedom (that is, hyper-entangled) as the quantum channel for teleportation, and develop a method to project and discriminate hyper-entangled Bell states by exploiting probabilistic quantum non-demolition measurement, which can be extended to more degrees of freedom. We verify the teleportation for both spin-orbit product states and hybrid entangled states, and achieve a teleportation fidelity ranging from 0.57 to 0.68, above the classical limit. Our work is a step towards the teleportation of more complex quantum systems, and demonstrates an increase in our technical control of scalable quantum technologies. PMID:25719668

  11. Quantum teleportation of multiple degrees of freedom of a single photon

    NASA Astrophysics Data System (ADS)

    Wang, Xi-Lin; Cai, Xin-Dong; Su, Zu-En; Chen, Ming-Cheng; Wu, Dian; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

    2015-02-01

    Quantum teleportation provides a `disembodied' way to transfer quantum states from one object to another at a distant location, assisted by previously shared entangled states and a classical communication channel. As well as being of fundamental interest, teleportation has been recognized as an important element in long-distance quantum communication, distributed quantum networks and measurement-based quantum computation. There have been numerous demonstrations of teleportation in different physical systems such as photons, atoms, ions, electrons and superconducting circuits. All the previous experiments were limited to the teleportation of one degree of freedom only. However, a single quantum particle can naturally possess various degrees of freedom--internal and external--and with coherent coupling among them. A fundamental open challenge is to teleport multiple degrees of freedom simultaneously, which is necessary to describe a quantum particle fully and, therefore, to teleport it intact. Here we demonstrate quantum teleportation of the composite quantum states of a single photon encoded in both spin and orbital angular momentum. We use photon pairs entangled in both degrees of freedom (that is, hyper-entangled) as the quantum channel for teleportation, and develop a method to project and discriminate hyper-entangled Bell states by exploiting probabilistic quantum non-demolition measurement, which can be extended to more degrees of freedom. We verify the teleportation for both spin-orbit product states and hybrid entangled states, and achieve a teleportation fidelity ranging from 0.57 to 0.68, above the classical limit. Our work is a step towards the teleportation of more complex quantum systems, and demonstrates an increase in our technical control of scalable quantum technologies.

  12. Optimized In composition and quantum well thickness for yellow-emitting (Ga,In)N/GaN multiple quantum wells

    NASA Astrophysics Data System (ADS)

    Lekhal, Kaddour; Hussain, Sakhawat; De Mierry, Philippe; Vennéguès, Philippe; Nemoz, Maud; Chauveau, Jean-Michel; Damilano, Benjamin

    2016-01-01

    Yellow-emitting InxGa1-xN/GaN multiple quantum wells (MQWs) with different pairs of In composition and QW thickness have been grown by metal-organic chemical vapor deposition on sapphire substrates. We show that a trade-off between the MQW crystalline quality and the quantum confined Stark effect has to be found to maximize the room temperature photoluminescence efficiency. With our growth conditions, an optimum design of the MQW is obtained for x=0.21 and a QW thickness of 3.6 nm.

  13. Nonadditivity of quantum and classical capacities for entanglement breaking multiple-access channels and the butterfly network

    SciTech Connect

    Grudka, Andrzej; Horodecki, Pawel

    2010-06-15

    We analyze quantum network primitives which are entanglement breaking. We show superadditivity of quantum and classical capacity regions for quantum multiple-access channels and the quantum butterfly network. Since the effects are especially visible at high noise they suggest that quantum information effects may be particularly helpful in the case of the networks with occasional high noise rates. The present effects provide a qualitative borderline between superadditivities of bipartite and multipartite systems.

  14. Physically feasible three-level transitionless quantum driving with multiple Schrödinger dynamics

    NASA Astrophysics Data System (ADS)

    Song, Xue-Ke; Ai, Qing; Qiu, Jing; Deng, Fu-Guo

    2016-05-01

    Three-level quantum systems, which possess some unique characteristics beyond two-level ones, such as electromagnetically induced transparency, coherent trapping, and Raman scatting, play important roles in solid-state quantum information processing. Here, we introduce an approach to implement the physically feasible three-level transitionless quantum driving with multiple Schrödinger dynamics (MSDs). It can be used to control accurately population transfer and entanglement generation for three-level quantum systems in a nonadiabatic way. Moreover, we propose an experimentally realizable hybrid architecture, based on two nitrogen-vacancy-center ensembles coupled to a transmission line resonator, to realize our transitionless scheme which requires fewer physical resources and simple procedures, and it is more robust against environmental noises and control parameter variations than conventional adiabatic passage techniques. All these features inspire the further application of MSDs on robust quantum information processing in experiment.

  15. High charge-carrier mobility enables exploitation of carrier multiplication in quantum-dot films

    PubMed Central

    Sandeep, C. S. Suchand; Cate, Sybren ten; Schins, Juleon M.; Savenije, Tom J.; Liu, Yao; Law, Matt; Kinge, Sachin; Houtepen, Arjan J.; Siebbeles, Laurens D. A.

    2013-01-01

    Carrier multiplication, the generation of multiple electron–hole pairs by a single photon, is of great interest for solar cells as it may enhance their photocurrent. This process has been shown to occur efficiently in colloidal quantum dots, however, harvesting of the generated multiple charges has proved difficult. Here we show that by tuning the charge-carrier mobility in quantum-dot films, carrier multiplication can be optimized and may show an efficiency as high as in colloidal dispersion. Our results are explained quantitatively by the competition between dissociation of multiple electron–hole pairs and Auger recombination. Above a mobility of ~1 cm2 V−1 s−1, all charges escape Auger recombination and are quantitatively converted to free charges, offering the prospect of cheap quantum-dot solar cells with efficiencies in excess of the Shockley–Queisser limit. In addition, we show that the threshold energy for carrier multiplication is reduced to twice the band gap of the quantum dots. PMID:23974282

  16. MBE grown GaAsBi/GaAs multiple quantum well structures: Structural and optical characterization

    NASA Astrophysics Data System (ADS)

    Richards, Robert D.; Bastiman, Faebian; Roberts, John S.; Beanland, Richard; Walker, David; David, John P. R.

    2015-09-01

    A series of GaAsBi/GaAs multiple quantum well p-i-n diodes were grown by molecular beam epitaxy. Nomarski images showed evidence of sub-surface damage in each diode, with an increase in the cross-hatching associated with strain relaxation for the diodes containing more than 40 quantum wells. X-ray diffraction ω-2θ scans of the (004) reflections showed that multiple quantum well regions with clearly defined well periodicities were grown. The superlattice peaks of the diodes containing more than 40 wells were much broader than those of the other diodes. The photoluminescence spectra showed a redshift of 56 meV and an attenuation of nearly two orders of magnitude for the 54 and 63 well diodes. Calculations of the quantum confinement and strain induced band gap modifications suggest that the wells in all diodes are thinner than their intended widths and that both loss of quantum confinement and strain probably contributed to the observed redshift and attenuation in the 54 and 63 well diodes. Comparison of this data with that gathered for InGaAs/GaAs multiple quantum wells, suggests that the onset of relaxation occurs at a similar average strain-thickness product for both systems. Given the rapid band gap reduction of GaAsBi with Bi incorporation, this data suggests that GaAsBi is a promising photovoltaic material candidate.

  17. A one-dimensional quantum walk with multiple-rotation on the coin

    PubMed Central

    Xue, Peng; Zhang, Rong; Qin, Hao; Zhan, Xiang; Bian, Zhihao; Li, Jian

    2016-01-01

    We introduce and analyze a one-dimensional quantum walk with two time-independent rotations on the coin. We study the influence on the property of quantum walk due to the second rotation on the coin. Based on the asymptotic solution in the long time limit, a ballistic behaviour of this walk is observed. This quantum walk retains the quadratic growth of the variance if the combined operator of the coin rotations is unitary. That confirms no localization exhibits in this walk. This result can be extended to the walk with multiple time-independent rotations on the coin. PMID:26822563

  18. Quantum superadditivity in linear optics networks: Sending bits via multiple-access Gaussian channels

    SciTech Connect

    Czekaj, L.; Horodecki, P.; Korbicz, J. K.; Chhajlany, R. W.

    2010-08-15

    Superadditivity effects of communication capacities are known in the case of discrete variable quantum channels. We describe the continuous variable analog of one of these effects in the framework of Gaussian multiple access channels (MACs). Classically, superadditivity-type effects are strongly restricted: For example, adding resources to one sender is never advantageous to other senders in sending their respective information to the receiver. We show that this rule can be surpassed using quantum resources, giving rise to a type of truly quantum superadditivity. This is illustrated here for two examples of experimentally feasible Gaussian MACs.

  19. Optimization schemes for efficient multiple exciton generation and extraction in colloidal quantum dots

    NASA Astrophysics Data System (ADS)

    Damtie, Fikeraddis A.; Karki, Khadga J.; Pullerits, Tõnu; Wacker, Andreas

    2016-08-01

    Multiple exciton generation (MEG) is a process in which more than one electron hole pair is generated per absorbed photon. It allows us to increase the efficiency of solar energy harvesting. Experimental studies have shown the multiple exciton generation yield of 1.2 in isolated colloidal quantum dots. However real photoelectric devices require the extraction of electron hole pairs to electric contacts. We provide a systematic study of the corresponding quantum coherent processes including extraction and injection and show that a proper design of extraction and injection rates enhances the yield significantly up to values around 1.6.

  20. Controlled quantum perfect teleportation of multiple arbitrary multi-qubit states

    NASA Astrophysics Data System (ADS)

    Shi, Runhua; Huang, Liusheng; Yang, Wei; Zhong, Hong

    2011-12-01

    We present an efficient controlled quantum perfect teleportation scheme. In our scheme, multiple senders can teleport multiple arbitrary unknown multi-qubit states to a single receiver via a previously shared entanglement state with the help of one or more controllers. Furthermore, our scheme has a very good performance in the measurement and operation complexity, since it only needs to perform Bell state and single-particle measurements and to apply Controlled-Not gate and other single-particle unitary operations. In addition, compared with traditional schemes, our scheme needs less qubits as the quantum resources and exchanges less classical information, and thus obtains higher communication efficiency.

  1. Multiple quantum filtering and spin exchange in solid state nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Ba, Yong; Ripmeester, John A.

    1998-05-01

    Multiple quantum NMR of coupled spin-1/2 nuclei in a solid has been exploited as a filter to separate different magnetization components in a spatially heterogeneous system. After filtering, the spins labeled according to coherence orders were used to follow the track of spin exchange between different domains. In order to avoid time-consuming two-dimensional experiments, this exchange was detected in a one-dimensional experiment via selective detection of multiple quantum coherences. The technique was demonstrated for samples of solid adamantane in contact with its saturated solution in benzene-d6 and for a high-density polyoxymethylene.

  2. Surface Passivation by Quantum Exclusion Using Multiple Layers

    NASA Technical Reports Server (NTRS)

    Hoenk, Michael E. (Inventor)

    2013-01-01

    A semiconductor device has a multilayer doping to provide improved passivation by quantum exclusion. The multilayer doping includes a plurality M of doped layers, where M is an integer greater than 1. The dopant sheet densities in the M doped layers need not be the same, but in principle can be selected to be the same sheet densities or to be different sheet densities. M-1 interleaved layers provided between the M doped layers are not deliberately doped (also referred to as "undoped layers"). Structures with M=2, M=3 and M=4 have been demonstrated and exhibit improved passivation.

  3. Reliability assessment of multiple quantum well avalanche photodiodes

    NASA Technical Reports Server (NTRS)

    Yun, Ilgu; Menkara, Hicham M.; Wang, Yang; Oguzman, Isamil H.; Kolnik, Jan; Brennan, Kevin F.; May, Gray S.; Wagner, Brent K.; Summers, Christopher J.

    1995-01-01

    The reliability of doped-barrier AlGaAs/GsAs multi-quantum well avalanche photodiodes fabricated by molecular beam epitaxy is investigated via accelerated life tests. Dark current and breakdown voltage were the parameters monitored. The activation energy of the degradation mechanism and median device lifetime were determined. Device failure probability as a function of time was computed using the lognormal model. Analysis using the electron beam induced current method revealed the degradation to be caused by ionic impurities or contamination in the passivation layer.

  4. Entanglement distribution over quantum code-division multiple-access networks

    NASA Astrophysics Data System (ADS)

    Zhu, Chang-long; Yang, Nan; Liu, Yu-xi; Nori, Franco; Zhang, Jing

    2015-10-01

    We present a method for quantum entanglement distribution over a so-called code-division multiple-access network, in which two pairs of users share the same quantum channel to transmit information. The main idea of this method is to use different broadband chaotic phase shifts, generated by electro-optic modulators and chaotic Colpitts circuits, to encode the information-bearing quantum signals coming from different users and then recover the masked quantum signals at the receiver side by imposing opposite chaotic phase shifts. The chaotic phase shifts given to different pairs of users are almost uncorrelated due to the randomness of chaos and thus the quantum signals from different pair of users can be distinguished even when they are sent via the same quantum channel. It is shown that two maximally entangled states can be generated between two pairs of users by our method mediated by bright coherent lights, which can be more easily implemented in experiments compared with single-photon lights. Our method is robust under the channel noises if only the decay rates of the information-bearing fields induced by the channel noises are not quite high. Our study opens up new perspectives for addressing and transmitting quantum information in future quantum networks.

  5. Simultaneous nano-tracking of multiple motor proteins via spectral discrimination of quantum dots.

    PubMed

    Kakizuka, Taishi; Ikezaki, Keigo; Kaneshiro, Junichi; Fujita, Hideaki; Watanabe, Tomonobu M; Ichimura, Taro

    2016-07-01

    Simultaneous nanometric tracking of multiple motor proteins was achieved by combining multicolor fluorescent labeling of target proteins and imaging spectroscopy, revealing dynamic behaviors of multiple motor proteins at the sub-diffraction-limit scale. Using quantum dot probes of distinct colors, we experimentally verified the localization precision to be a few nanometers at temporal resolution of 30 ms or faster. One-dimensional processive movement of two heads of a single myosin molecule and multiple myosin molecules was successfully traced. Furthermore, the system was modified for two-dimensional measurement and applied to tracking of multiple myosin molecules. Our approach is useful for investigating cooperative movement of proteins in supramolecular nanomachinery. PMID:27446684

  6. Simultaneous nano-tracking of multiple motor proteins via spectral discrimination of quantum dots

    PubMed Central

    Kakizuka, Taishi; Ikezaki, Keigo; Kaneshiro, Junichi; Fujita, Hideaki; Watanabe, Tomonobu M.; Ichimura, Taro

    2016-01-01

    Simultaneous nanometric tracking of multiple motor proteins was achieved by combining multicolor fluorescent labeling of target proteins and imaging spectroscopy, revealing dynamic behaviors of multiple motor proteins at the sub-diffraction-limit scale. Using quantum dot probes of distinct colors, we experimentally verified the localization precision to be a few nanometers at temporal resolution of 30 ms or faster. One-dimensional processive movement of two heads of a single myosin molecule and multiple myosin molecules was successfully traced. Furthermore, the system was modified for two-dimensional measurement and applied to tracking of multiple myosin molecules. Our approach is useful for investigating cooperative movement of proteins in supramolecular nanomachinery. PMID:27446684

  7. Precision control of multiple quantum cascade lasers for calibration systems

    SciTech Connect

    Taubman, Matthew S. Myers, Tanya L.; Pratt, Richard M.; Stahl, Robert D.; Cannon, Bret D.

    2014-01-15

    We present a precision, 1-A, digitally interfaced current controller for quantum cascade lasers, with demonstrated temperature coefficients for continuous and 40-kHz full-depth square-wave modulated operation, of 1–2 ppm/ °C and 15 ppm/ °C, respectively. High precision digital to analog converters (DACs) together with an ultra-precision voltage reference produce highly stable, precision voltages, which are selected by a multiplexer (MUX) chip to set output currents via a linear current regulator. The controller is operated in conjunction with a power multiplexing unit, allowing one of three lasers to be driven by the controller, while ensuring protection of controller and all lasers during operation, standby, and switching. Simple ASCII commands sent over a USB connection to a microprocessor located in the current controller operate both the controller (via the DACs and MUX chip) and the power multiplexer.

  8. Precision Control of Multiple Quantum Cascade Lasers for Calibration Systems

    SciTech Connect

    Taubman, Matthew S.; Myers, Tanya L.; Pratt, Richard M.; Stahl, Robert D.; Cannon, Bret D.

    2014-01-15

    We present a precision, digitally interfaced current controller for quantum cascade lasers, with demonstrated DC and modulated temperature coefficients of 1- 2 ppm/ºC and 15 ppm/ºC respectively. High linearity digital to analog converters (DACs) together with an ultra-precision voltage reference, produce highly stable, precision voltages. These are in turn selected by a low charge-injection multiplexer (MUX) chip, which are then used to set output currents via a linear current regulator. The controller is operated in conjunction with a power multiplexing unit, allowing one of three lasers to be driven by the controller while ensuring protection of controller and all lasers during operation, standby and switching. Simple ASCII commands sent over a USB connection to a microprocessor located in the current controller operate both the controller (via the DACs and MUX chip) and the power multiplexer.

  9. Surface Passivation by Quantum Exclusion Using Multiple Layers

    NASA Technical Reports Server (NTRS)

    Hoenk, Michael E. (Inventor)

    2015-01-01

    A semiconductor device has a multilayer doping to provide improved passivation by quantum exclusion. The multilayer doping includes at least two doped layers fabricated using MBE methods. The dopant sheet densities in the doped layers need not be the same, but in principle can be selected to be the same sheet densities or to be different sheet densities. The electrically active dopant sheet densities are quite high, reaching more than 1.times.10.sup.14 cm.sup.-2, and locally exceeding 10.sup.22 per cubic centimeter. It has been found that silicon detector devices that have two or more such dopant layers exhibit improved resistance to degradation by UV radiation, at least at wavelengths of 193 nm, as compared to conventional silicon p-on-n devices.

  10. Ballistic effects and intersubband excitations in multiple quantum well structures

    NASA Astrophysics Data System (ADS)

    Schneider, H.; Schönbein, C.; Schwarz, K.; Walther, M.

    1998-07-01

    We have studied the transport properties of electrons in asymmetric quantum well structures upon far-infrared optical excitation of carriers from the lowest subband into the continuum. Here the photocurrent consists of a coherent component originating from ballistic transport upon excitation, and of an incoherent part associated with asymmetric diffusion and relaxation processes, which occur after the coherence has been lost. The signature of the coherent contribution is provided by a sign reversal of the photocurrent upon changing the excitation energy. This sign reversal arises from the energy-dependent interference between continuum states, which have a twofold degeneracy characterized by positive and negative momenta. The interference effect also allows us to estimate the coherent mean free path ( >20 nm at 77K). In specifically designed device structures, we use both the coherent and incoherent components in order to achieve a pronounced photovoltaic infrared response for detector applications.

  11. Equivalent Circuit of a Heterostructure with Multiple Quantum Wells

    NASA Astrophysics Data System (ADS)

    Davydov, V. N.; Novikov, D. A.

    2015-11-01

    Based on the consideration of physical processes in a heterostructure with quantum wells (QW), its equivalent circuit is constructed including a barrier capacitance and a differential resistance of the p-n junction, capacitance and resistance of charge relaxation in QW, and resistance of free charge carrier delivery to QW. Analytical expressions for the equivalent capacity and equivalent resistance of the heterostructure for a serial substitution circuit are derived, and behavior of the equivalent parameters attendant to changes of the test signal frequency is analyzed. Results of experimental investigation of the capacitive and resistive properties of the heterostructures with QW based on the InGaN/GaN barriers confirm the calculated dependences of their equivalent parameters and demonstrate their dependence on the special features of the kinetic properties of the heterostructures.

  12. Precision control of multiple quantum cascade lasers for calibration systems

    NASA Astrophysics Data System (ADS)

    Taubman, Matthew S.; Myers, Tanya L.; Pratt, Richard M.; Stahl, Robert D.; Cannon, Bret D.

    2014-01-01

    We present a precision, 1-A, digitally interfaced current controller for quantum cascade lasers, with demonstrated temperature coefficients for continuous and 40-kHz full-depth square-wave modulated operation, of 1-2 ppm/ °C and 15 ppm/ °C, respectively. High precision digital to analog converters (DACs) together with an ultra-precision voltage reference produce highly stable, precision voltages, which are selected by a multiplexer (MUX) chip to set output currents via a linear current regulator. The controller is operated in conjunction with a power multiplexing unit, allowing one of three lasers to be driven by the controller, while ensuring protection of controller and all lasers during operation, standby, and switching. Simple ASCII commands sent over a USB connection to a microprocessor located in the current controller operate both the controller (via the DACs and MUX chip) and the power multiplexer.

  13. Multi-bands photoconductive response in AlGaN/GaN multiple quantum wells

    SciTech Connect

    Chen, G.; Rong, X.; Xu, F. J.; Tang, N.; Wang, X. Q. Shen, B.; Fu, K.; Zhang, B. S.; Hashimoto, H.; Yoshikawa, A.; Ge, W. K.

    2014-04-28

    Based on the optical transitions among the quantum-confined electronic states in the conduction band, we have fabricated multi-bands AlGaN/GaN quantum well infrared photodetectors. Crack-free AlGaN/GaN multiple quantum wells (MQWs) with atomically sharp interfaces have been achieved by inserting an AlN interlayer, which releases most of the tensile strain in the MQWs grown on the GaN underlayer. With significant reduction of dark current by using thick AlGaN barriers, photoconductive responses are demonstrated due to intersubband transition in multiple regions with center wavelengths of 1.3, 2.3, and 4 μm, which shows potential applications on near infrared detection.

  14. The set of triple-resonance sequences with a multiple quantum coherence evolution period

    NASA Astrophysics Data System (ADS)

    Koźmiński, Wiktor; Zhukov, Igor

    2004-12-01

    The new pulse sequence building block that relies on evolution of heteronuclear multiple quantum coherences is proposed. The particular chemical shifts are obtained in multiple quadrature, using linear combinations of frequencies taken from spectra measured at different quantum levels. The pulse sequences designed in this way consist of small number of RF-pulses, are as short as possible, and could be applied for determination of coupling constants. The examples presented involve 2D correlations H NCO, H NCA, H N(CO) CA, and H(N) COCA via heteronuclear zero and double coherences, as well as 2D H NCOCA technique with simultaneous evolution of triple and three distinct single quantum coherences. Applications of the new sequences are presented for 13C, 15N-labeled ubiquitin.

  15. Quantum correlations of magnetic impurities by a multiple electron scattering in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Gamboa Angulo, Didier; Cordourier Maruri, Guillermo; de Coss Gómez, Romeo

    In this work we analyze the quantum correlations and polarizations states of magnetic impurities spins, when a multiple electron scattering was taken place. A sequence of non-correlated electrons interacts through scattering producing quantum correlation which will have an impact on the electronic transmission. We consider a short range Heisenberg interaction between ballistic electron and static impurities. We analyze the cases when the electron scattering is produce by one and two impurities, obtaining the electronic transmission rates. Concurrence and fidelity calculations are performed to obtain the level of quantum entanglement and polarization correlations. We also discuss the possible application of this model to metallic and semiconductor carbon nanotubes, which could have important implications on spintronics and quantum information devices.

  16. Intersubband Transition in GaN/InGaN Multiple Quantum Wells

    PubMed Central

    Chen, G.; Wang, X. Q.; Rong, X.; Wang, P.; Xu, F. J.; Tang, N.; Qin, Z. X.; Chen, Y. H.; Shen, B.

    2015-01-01

    Utilizing the growth temperature controlled epitaxy, high quality GaN/In0.15Ga0.85N multiple quantum wells designed for intersubband transition (ISBT) as novel candidates in III-nitride infrared device applications have been experimentally realized for the first time. Photo-absorption originated from the ISBT has been successfully observed at infrared regime covering the 3–5 μm atmosphere window, where the central absorption wavelength is modulated by adjusting the quantum well width. With increasing the quantum well thickness, the ISBT center wave length blue shifts at thickness less than 2.8 nm and then redshifts with further increase of the well thickness. The non-monotonic trend is most likely due to the polarization induced asymmetric shape of the quantum wells. PMID:26089133

  17. Ultrafast switching characteristics of a bistable surface-emitting multiple quantum well distributed Bragg reflector laser

    SciTech Connect

    Kojima, K.; Kyuma, K.; Noda, S.; Ohta, J.; Hamanaka, K.

    1988-03-21

    We describe an ultrafast switching operation of a bistable surface-emitting distributed Bragg reflector laser. The rise time was as small as 12 ps and the fall time was 90 ps. Both are much smaller than those of conventional bistable laser diodes. Ths was realized by the effect of the multiple quantum well structure and a strong detuning.

  18. Low-dimensional CdS/CdTe multiple-quantum well heterostructure for optical refrigeration

    NASA Astrophysics Data System (ADS)

    Tarín-Cordero, Julio C.; Villa-Angulo, Rafael; Villa-Angulo, José R.; Villa-Angulo, Carlos

    2015-01-01

    The major challenge for semiconductors to achieve temperatures below 10 K by luminescence upconversion, is that at these lattice temperatures the acoustic phonon component dominates and the scattering rate becomes comparable to the band-to-band radiative transition rate. This problem can be significantly alleviated by employing quantum-confined systems, where relaxation of wave-vector conservation in the confined direction reduces material conductivity by nearly three orders of magnitude. Although previous studies have reported theoretical and experimental analyses of cooling characteristics for bulk semiconductors, the electron band-to-band transition due to photon absorption or photon emission under cooling conditions in quantum-confined semiconductor systems which exhibit quantum effects at the dimensions of several nanometers have not been completely analyzed in conventional theoretical studies. We realized a numerical investigation of optical cooling conditions for a low-dimensional CdS/CdTe multiple-quantum well heterostructure where injected carriers in the active region are quantum mechanically confined in one dimension. Effects of such quantum mechanically confined carriers on photon absorption and photoluminescence (PL) were analyzed under cooling conditions. Most importantly, the CdS/CdTe heterostructure absorption and PL spectra for cooling conditions were defined in terms of the active layer width and number of quantum wells in the complete heterostructure.

  19. Collective cavity quantum electrodynamics with multiple atomic levels

    SciTech Connect

    Arnold, Kyle J.; Baden, Markus P.; Barrett, Murray D.

    2011-09-15

    We study the transmission spectra of ultracold rubidium atoms coupled to a high-finesse optical cavity. Under weak probing with {pi}-polarized light, the linear response of the system is that of a collective spin with multiple levels coupled to a single mode of the cavity. By varying the atom number, we change the collective coupling of the system. We observe the change in transmission spectra when going from a regime where the collective coupling is much smaller than the separation of the atomic levels to a regime where both are of comparable size. The observations are in good agreement with a reduced model we developed for our system.

  20. Measurements of 13C multiple-quantum coherences in amyloid fibrils under magic-angle spinning.

    PubMed

    Chou, Fang-Chieh; Tsai, Tim W T; Cheng, Hsin-Mei; Chan, Jerry C C

    2012-06-21

    The excitation and detection of high-order multiple quantum coherences among (13)C nuclear spins are demonstrated in the samples of [1-(13)C]-L-alanine and (13)C labeled amyloid fibrils at a spinning frequency of 20 kHz. The technique is based on the double-quantum average Hamiltonian prepared by the DRAMA-XY4 pulse sequence. Empirically, we find that multiple supercycles are required to suppress the higher-order effects for real applications. Measurements for the fibril samples formed by the polypeptides of PrP(113-127) provide the first solid-state NMR evidence for the stacking of multiple β-sheet layers at the structural core of amyloid fibrils. PMID:22632418

  1. Manipulation of nanoscale V-pits to optimize internal quantum efficiency of InGaN multiple quantum wells

    SciTech Connect

    Chang, Chiao-Yun; Li, Heng; Shih, Yang-Ta; Lu, Tien-Chang

    2015-03-02

    We systematically investigated the influence of nanoscale V-pits on the internal quantum efficiency (IQE) of InGaN multiple quantum wells (MQWs) by adjusting the underlying superlattices (SLS). The analysis indicated that high barrier energy of sidewall MQWs on V-pits and long diffusion distance between the threading dislocation (TD) center and V-pit boundary were crucial to effectively passivate the non-radiative centers of TDs. For a larger V-pit, the thicker sidewall MQW on V-pit would decrease the barrier energy. On the contrary, a shorter distance between the TD center and V-pit boundary would be observed in a smaller V-pit, which could increase the carrier capturing capability of TDs. An optimized V-pit size of approximately 200–250 nm in our experiment could be concluded for MQWs with 15 pairs SLS, which exhibited an IQE value of 70%.

  2. Ab Initio study of multiple exciton generation in layered structure quantum dots

    NASA Astrophysics Data System (ADS)

    Zhang, Zhiyong; Zimmerman, Paul; Cui, Yi; Musgrave, Charles

    2011-03-01

    Multiple Exciton Generation (MEG) can potentially increase the photovoltaic conversion efficiency significantly and has been reported in a large number of systems and has been extensively studies theoretically and experimentally. Here we report our study of the MEG process in inorganic layered structure quantum dots using high level Ab Initio methods that are capable of electronic states of multi-exciton in character. Our results show that multiple states that are of multi-exciton character exist in quantum dots and different mechanisms govern the MEG process in quantum dots: (1) MEG through an internal crossing mechanism from a optically active state to an optically dark multi-exciton state, as in the singlet fission process of pentacene; and (2) direct multi-exciton generation through an optically active excited state. We also discuss detailed structure evolution of quantum dots, from stable molecular like structures of various shapes and sizes, to larger quantum dots of bulk like bonding motifs with distinctive surface structures and illustrate the correlation between structure and the multi-exciton states.

  3. Excitonic transitions in Be-doped GaAs/AlAs multiple quantum well

    NASA Astrophysics Data System (ADS)

    Wei-Min, Zheng; Su-Mei, Li; Wei-Yan, Cong; Ai-Fang, Wang; Bin, Li; Hai-Bei, Huang

    2016-04-01

    A series of GaAs/AlAs multiple-quantum wells doped with Be is grown by molecular beam epitaxy. The photoluminescence spectra are measured at 4, 20, 40, 80, 120, and 200 K, respectively. The recombination transition emission of heavy-hole and light-hole free excitons is clearly observed and the transition energies are measured with different quantum well widths. In addition, a theoretical model of excitonic states in the quantum wells is used, in which the symmetry of the component of the exciton wave function representing the relative motion is allowed to vary between the two- and three-dimensional limits. Then, within the effective mass and envelope function approximation, the recombination transition energies of the heavy- and light-hole excitons in GaAs/AlAs multiple-quantum wells are calculated each as a function of quantum well width by the shooting method and variational principle with two variational parameters. The results show that the excitons are neither 2D nor 3D like, but are in between in character and that the theoretical calculation is in good agreement with the experimental results. Project supported by the National Natural Science Foundation of China (Grant No. 61178039) and the Natural Science Foundation of Shandong Province, China (Grant No. ZR2012FM028).

  4. Size dependence of the multiple exciton generation rate in CdSe quantum dots.

    PubMed

    Lin, Zhibin; Franceschetti, Alberto; Lusk, Mark T

    2011-04-26

    The multiplication rates of hot carriers in CdSe quantum dots are quantified using an atomistic pseudopotential approach and first-order perturbation theory. We consider both the case of an individual carrier (electron or hole) decaying into a trion and the case of an electron-hole pair decaying into a biexciton. The dependence on quantum dot volume of multiplication rate, density of final states, and effective Coulomb interaction are determined. We show that the multiplication rate of a photogenerated electron-hole pair decreases with dot size for a given absolute photon energy. However, if the photon energy is rescaled by the volume-dependent optical gap, then smaller dots exhibit an enhancement in carrier multiplication rate for a given relative photon energy. We find that holes have much higher multiplication rates than electrons of the same excess energy due to the larger density of final states (positive trions). When electron-hole pairs are generated by photon absorption, however, the net carrier multiplication rate is dominated by electrons because they have much higher excess energy on average. We also find, contrary to earlier studies, that the effective Coulomb coupling governing carrier multiplication is energy-dependent. PMID:21355556

  5. High performance red-emitting multiple layer InGaN/GaN quantum dot lasers

    NASA Astrophysics Data System (ADS)

    Frost, Thomas; Hazari, Arnab; Aiello, Anthony; Zunaid Baten, Md; Yan, Lifan; Mirecki-Millunchick, Joanna; Bhattacharya, Pallab

    2016-03-01

    InGaN/GaN self-organized quantum dots can provide useful advantages over quantum wells for the realization of long-wavelength visible light sources because the dots are formed by strain relaxation. A III-nitride based laser emitting in the red (λ ˜ 630 nm), which has not been demonstrated with quantum wells, would be useful for a host of applications. We have investigated the epitaxy and characteristics of self-organized InGaN/GaN multiple layer quantum dots grown by plasma-assisted molecular beam epitaxy and have optimized their properties by tuning the growth parameters. Red-emitting (λ ˜ 630 nm) quantum dots have radiative lifetime ˜2.5 ns and internal quantum efficiency greater than 50%. Edge-emitting red-lasers with multi-dot layers in the active region exhibit an extremely low threshold current density of 1.6 kA/cm2, a high temperature coefficient T0 = 240 K, and a large differential gain dg/dn = 9 × 10-17 cm2.

  6. Multiplicative logarithmic corrections to quantum criticality in three-dimensional dimerized antiferromagnets

    NASA Astrophysics Data System (ADS)

    Qin, Yanqi; Normand, Bruce; Sandvik, Anders; Meng, Zi Yang

    We investigate the quantum phase transition in an S=1/2 dimerized Heisenberg antiferromagnet in three spatial dimensions. By means of quantum Monte Carlo simulations and finite-size scaling analyses, we get high-precision results for the quantum critical properties at the transition from the magnetically disordered dimer-singlet phase to the ordered Neel phase. This transition breaks O(N) symmetry with N=3 in D=3+1 dimensions. This is the upper critical dimension, where multiplicative logarithmic corrections to the leading mean-field critical properties are expected; we extract these corrections, establishing their precise forms for both the zero-temperature staggered magnetization, ms, and the Neel temperature, TN. We present a scaling ansatz for TN, including logarithmic corrections, which agrees with our data and indicates exact linearity with ms, implying a complete decoupling of quantum and thermal fluctuation effects close to the quantum critical point. These logarithmic scaling forms have not previously identified or verified by unbiased numerical methods and we discuss their relevance to experimental studies of dimerized quantum antiferromagnets such as TlCuCl3. Ref.: arXiv:1506.06073

  7. Singlet fission in pentacene through multiple exciton quantum states

    NASA Astrophysics Data System (ADS)

    Zhang, Zhiyong; Zimmerman, Paul; Musgrave, Charles

    2010-03-01

    Multi-exciton generation (MEG) has been reported for several materials and may dramatically increase solar cell efficiency. Singlet fission is the molecular analogue of MEG and has been observed in various systems, including tetracene and pentacene, however, no fundamental mechanism for singlet fission has yet been described, although it may govern MEG processes in a variety of materials. Because photoexcited states have single-exciton character, singlet fission to produce a pair of triplet excitons must involve an intermediate state that: (1) exhibits multi-exciton (ME) character, (2) is accessible from S1 and satisfies the fission energy requirement, and (3) efficiently dissociates into multiple electron-hole pairs. Here, we use sophisticated ab initio calculations to show that singlet fission in pentacene proceeds through a dark state (D) of ME character that lies just below S1, satisfies the fission energy requirement (ED>2ET0), and splits into two triplets (2xT0). In tetracene, D lies just above S1, consistent with the observation that singlet fission is thermally activated in tetracene. Rational design of photovoltaic systems that exploit singlet fission will require ab initio analysis of ME states such as D.

  8. Carrier multiplication detected through transient photocurrent in device-grade films of lead selenide quantum dots

    DOE PAGESBeta

    Gao, Jianbo; Fidler, Andrew F.; Klimov, Victor I.

    2015-09-08

    In carrier multiplication, the absorption of a single photon results in two or more electron–hole pairs. Quantum dots are promising materials for implementing carrier multiplication principles in real-life technologies. So far, however, most of research in this area has focused on optical studies of solution samples with yet to be proven relevance to practical devices. We report ultra-fast electro-optical studies of device-grade films of electronically coupled quantum dots that allow us to observe multiplication directly in the photocurrent. Our studies help rationalize previous results from both optical spectroscopy and steady-state photocurrent measurements and also provide new insights into effects ofmore » electric field and ligand treatments on multiexciton yields. Importantly, we demonstrate that using appropriate chemical treatments of the films, extra charges produced by carrier multiplication can be extracted from the quantum dots before they are lost to Auger recombination and hence can contribute to photocurrent of practical devices.« less

  9. U1h shaft project

    SciTech Connect

    Brian Briggs; R. G. Musick

    2000-06-30

    The U1h shaft project is a design/build subcontract to construct one 20 foot (ft) finished diameter shaft to a depth of 1,045 ft at the Nevada Test Site. Atkinson Construction was subcontracted by Bechtel Nevada to construct the U1h Shaft for the Department of Energy. The project consists of furnishing and installing the sinking plant, construction of the 1,045 ft of concrete lined shaft, development of a shaft station at a depth of 976 ft, and construction of a loading pocket at the station. The outfitting of the shaft and installation of a new hoist may be incorporated into the project at a later date. This paper should be of interest to those involved with the construction of relatively deep shafts and underground excavations.

  10. Highly efficient multiple-layer CdS quantum dot sensitized III-V solar cells.

    PubMed

    Lin, Chien-Chung; Han, Hau-Vei; Chen, Hsin-Chu; Chen, Kuo-Ju; Tsai, Yu-Lin; Lin, Wein-Yi; Kuo, Hao-Chung; Yu, Peichen

    2014-02-01

    In this review, the concept of utilization of solar spectrum in order to increase the solar cell efficiency is discussed. Among the three mechanisms, down-shifting effect is investigated in detail. Organic dye, rare-earth minerals and quantum dots are three most popular down-shift materials. While the enhancement of solar cell efficiency was not clearly observed in the past, the advances in quantum dot fabrication have brought strong response out of the hybrid platform of a quantum dot solar cell. A multiple layer structure, including PDMS as the isolation layer, is proposed and demonstrated. With the help of pulse spray system, precise control can be achieved and the optimized concentration can be found. PMID:24749412

  11. Effective one-body dynamics in multiple-quantum NMR experiments

    NASA Astrophysics Data System (ADS)

    Rufeil-Fiori, E.; Sánchez, C. M.; Oliva, F. Y.; Pastawski, H. M.; Levstein, P. R.

    2009-03-01

    A suitable NMR experiment in a one-dimensional dipolar coupled spin system allows one to reduce the natural many-body dynamics into effective one-body dynamics. We verify this in a polycrystalline sample of hydroxyapatite (HAp) by monitoring the excitation of NMR many-body superposition states: the multiple-quantum coherences. The observed effective one-dimensionality of HAp relies on the quasi-one-dimensional structure of the dipolar coupled network that, as we show here, is dynamically enhanced by the quantum Zeno effect. Decoherence is also probed through a Loschmidt echo experiment, where the time reversal is implemented on the double-quantum Hamiltonian, HDQ∝Ii+Ij++Ii-Ij- . We contrast the decoherence of adamantane, a standard three-dimensional system, with that of HAp. While the first shows an abrupt Fermi-type decay, HAp presents a smooth exponential law.

  12. Green light emission by InGaN/GaN multiple-quantum-well microdisks

    SciTech Connect

    Hsu, Yu-Chi; Lo, Ikai Shih, Cheng-Hung; Pang, Wen-Yuan; Hu, Chia-Hsuan; Wang, Ying-Chieh; Tsai, Cheng-Da; Chou, Mitch M. C.; Hsu, Gary Z. L.

    2014-03-10

    The high-quality In{sub x}Ga{sub 1−x}N/GaN multiple quantum wells were grown on GaN microdisks with γ-LiAlO{sub 2} substrate by using low-temperature two-step technique of plasma-assisted molecular beam epitaxy. We demonstrated that the hexagonal GaN microdisk can be used as a strain-free substrate to grow the advanced In{sub x}Ga{sub 1−x}N/GaN quantum wells for the optoelectronic applications. We showed that the green light of 566-nm wavelength (2.192 eV) emitted from the In{sub x}Ga{sub 1−x}N/GaN quantum wells was tremendously enhanced in an order of amplitude higher than the UV light of 367-nm wavelength (3.383 eV) from GaN.

  13. Code-division multiple-access multiuser demodulator by using quantum fluctuations

    NASA Astrophysics Data System (ADS)

    Otsubo, Yosuke; Inoue, Jun-ichi; Nagata, Kenji; Okada, Masato

    2014-07-01

    We examine the average-case performance of a code-division multiple-access (CDMA) multiuser demodulator in which quantum fluctuations are utilized to demodulate the original message within the context of Bayesian inference. The quantum fluctuations are built into the system as a transverse field in the infinite-range Ising spin glass model. We evaluate the performance measurements by using statistical mechanics. We confirm that the CDMA multiuser modulator using quantum fluctuations achieve roughly the same performance as the conventional CDMA multiuser modulator through thermal fluctuations on average. We also find that the relationship between the quality of the original information retrieval and the amplitude of the transverse field is somehow a "universal feature" in typical probabilistic information processing, viz., in image restoration, error-correcting codes, and CDMA multiuser demodulation.

  14. Code-division multiple-access multiuser demodulator by using quantum fluctuations.

    PubMed

    Otsubo, Yosuke; Inoue, Jun-Ichi; Nagata, Kenji; Okada, Masato

    2014-07-01

    We examine the average-case performance of a code-division multiple-access (CDMA) multiuser demodulator in which quantum fluctuations are utilized to demodulate the original message within the context of Bayesian inference. The quantum fluctuations are built into the system as a transverse field in the infinite-range Ising spin glass model. We evaluate the performance measurements by using statistical mechanics. We confirm that the CDMA multiuser modulator using quantum fluctuations achieve roughly the same performance as the conventional CDMA multiuser modulator through thermal fluctuations on average. We also find that the relationship between the quality of the original information retrieval and the amplitude of the transverse field is somehow a "universal feature" in typical probabilistic information processing, viz., in image restoration, error-correcting codes, and CDMA multiuser demodulation. PMID:25122270

  15. High-resolution multiple quantum MAS NMR spectroscopy of half-integer quadrupolar nuclei

    NASA Astrophysics Data System (ADS)

    Wu, Gang; Rovnyank, David; Sun, Boqin; Griffin, Robert G.

    1996-02-01

    We demonstrate the utility of a two-pulse sequence in obtaining high-resolution solid state NMR spectra of half-integer quadrupolar nuclei with magic-angle-spinning (MAS). The experiment, which utilizes multiple/single-quantum correlation, was first described in a different form by Frydman and Harwood [J. Am. Chem. Soc. 117 (1995) 5367] and yields high-resolution isotropic NMR spectra where shifts are determined by the sum of resonance offset (chemical shift) and second-order quadrupolar effects. The two-pulse sequence described here is shown to provide a higher and more uniform excitation of multiple-quantum coherence than the three-pulse sequence used previously.

  16. Theoretical study of polarization insensitivity of carrier-induced refractive index change of multiple quantum well.

    PubMed

    Miao, Qingyuan; Zhou, Qunjie; Cui, Jun; He, Ping-An; Huang, Dexiu

    2014-12-29

    Characteristics of polarization insensitivity of carrier-induced refractive index change of 1.55 μm tensile-strained multiple quantum well (MQW) are theoretically investigated. A comprehensive MQW model is proposed to effectively extend the application range of previous models. The model considers the temperature variation as well as the nonuniform distribution of injected carrier in MQW. Tensile-strained MQW is expected to achieve polarization insensitivity of carrier-induced refractive index change over a wide wavelength range as temperature varies from 0°C to 40°C, while the magnitude of refractive index change keeps a large value (more than 3 × 10-3). And that the polarization insensitivity of refractive index change can maintain for a wide range of carrier concentration. Multiple quantum well with different material and structure parameters is anticipated to have the similar polarization insensitivity of refractive index change, which shows the design flexibility. PMID:25607157

  17. Entropic Uncertainty Relation and Information Exclusion Relation for multiple measurements in the presence of quantum memory.

    PubMed

    Zhang, Jun; Zhang, Yang; Yu, Chang-shui

    2015-01-01

    The Heisenberg uncertainty principle shows that no one can specify the values of the non-commuting canonically conjugated variables simultaneously. However, the uncertainty relation is usually applied to two incompatible measurements. We present tighter bounds on both entropic uncertainty relation and information exclusion relation for multiple measurements in the presence of quantum memory. As applications, three incompatible measurements on Werner state and Horodecki's bound entangled state are investigated in details. PMID:26118488

  18. Entropic Uncertainty Relation and Information Exclusion Relation for multiple measurements in the presence of quantum memory

    PubMed Central

    Zhang, Jun; Zhang, Yang; Yu, Chang-shui

    2015-01-01

    The Heisenberg uncertainty principle shows that no one can specify the values of the non-commuting canonically conjugated variables simultaneously. However, the uncertainty relation is usually applied to two incompatible measurements. We present tighter bounds on both entropic uncertainty relation and information exclusion relation for multiple measurements in the presence of quantum memory. As applications, three incompatible measurements on Werner state and Horodecki’s bound entangled state are investigated in details. PMID:26118488

  19. Entropic Uncertainty Relation and Information Exclusion Relation for multiple measurements in the presence of quantum memory

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Zhang, Yang; Yu, Chang-Shui

    2015-06-01

    The Heisenberg uncertainty principle shows that no one can specify the values of the non-commuting canonically conjugated variables simultaneously. However, the uncertainty relation is usually applied to two incompatible measurements. We present tighter bounds on both entropic uncertainty relation and information exclusion relation for multiple measurements in the presence of quantum memory. As applications, three incompatible measurements on Werner state and Horodecki’s bound entangled state are investigated in details.

  20. Quantum Simulation of Multiple-Exciton Generation in a Nanocrystal by a Single Photon

    SciTech Connect

    Witzel, Wayne M.; Shabaev, Andrew; Hellberg, C. Stephen; Jacobs, Verne L.; Efros, Alexander L.

    2010-09-22

    We have shown theoretically that efficient multiple-exciton generation (MEG) by a single photon can be observed in small nanocrystals. Our quantum simulations that include hundreds of thousands of exciton and multiexciton states demonstrate that the complex time-dependent dynamics of these states in a closed electronic system yields a saturated MEG effect on a picosecond time scale. Including phonon relaxation confirms that efficient MEG requires the exciton-biexciton coupling time to be faster than exciton relaxation time.

  1. Tailoring the spin polarization in Ge/SiGe multiple quantum wells

    SciTech Connect

    Giorgioni, Anna; Pezzoli, Fabio; Gatti, Eleonora; Grilli, Emanuele; Guzzi, Mario; Bottegoni, Federico; Cecchi, Stefano; Ciccacci, Franco; Isella, Giovanni; Trivedi, Dhara; Song, Yang; Li, Pengki; Dery, Hanan

    2013-12-04

    We performed spin-resolved photoluminescence measurements on Ge/SiGe multiple quantum wells with different well thickness and using different exciting power densities. The polarization of the direct emission strongly depends on the relative weight of electrons photoexcited from the light and the heavy hole subbands. The study of the polarization as a function of the exciting power highlights the role of the carrier-carrier interactions in determining spin depolarization.

  2. Multiple-quantum NMR studies of spin clusters in liquid crystals and zeolites

    SciTech Connect

    Pearson, J. . Dept. of Chemistry Lawrence Berkeley Lab., CA )

    1991-07-01

    This work will describe the use of MQ NMR to study spin clusters in anisotropic materials. A technique known as multiple-quantum spin counting was used to determine average spin cluster sizes liquid crystalline materials and in faujacitic zeolites containing aromatic hydrocarbons. The first half of the thesis will describe MQ NMR and the MQ spin counting technique, and the second half of the thesis will describe the actual experiments and their results.

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

    PubMed

    Krasnoshchekov, Sergey V; Stepanov, Nikolay F

    2013-11-14

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra. PMID:24320248

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

    SciTech Connect

    Krasnoshchekov, Sergey V.; Stepanov, Nikolay F.

    2013-11-14

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

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

    NASA Astrophysics Data System (ADS)

    Krasnoshchekov, Sergey V.; Stepanov, Nikolay F.

    2013-11-01

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

  6. Heteronuclear correlations by multiple-quantum evolution. II. Proton-proton "decoupling" and multiplicity labeling in a constant-time experiment using carbon detection

    NASA Astrophysics Data System (ADS)

    Batta, Gyula; Kövér, Katalin E.

    Modified Müller-Bolton type heteronuclear multiple-quantum correlation experiments are analyzed theoretically and experimentally. It is shown that the constant-time version offers homonuclear decoupling, multiplicity labeling, and a very efficient suppression of strong coupling artifacts. Such sequences may have advantages for studying macromolecules.

  7. Very simple combination of TROSY, CRINEPT and multiple quantum coherence for signal enhancement in an HN(CO)CA experiment for large proteins

    NASA Astrophysics Data System (ADS)

    Bayrhuber, Monika; Riek, Roland

    2011-04-01

    Sensitivity enhancement in liquid state nuclear magnetic resonance (NMR) triple resonance experiments for the sequential assignment of proteins is important for the investigation of large proteins or protein complexes. We present here the 3D TROSY-MQ/CRINEPT-HN(CO)CA which makes use of a 15N- 1H-TROSY element and a 13C'- 13CA CRINEPT step combined with a multiple quantum coherence during the 13CA evolution period. Because of the introduction of these relaxation-optimized elements and 10 less pulses required, when compared with the conventional TROSY-HN(CO)CA experiment an average signal enhancement of a factor of 1.8 was observed for the membrane protein-detergent complex KcsA with a rotational correlation time τ c of around 60 ns.

  8. Semiconductor Quantum Dots and Quantum Dot Arrays and Applications of Multiple Exciton Generation to Third-Generation Photovoltaic Solar Cells

    SciTech Connect

    Nozik, Arthur J.; Beard, Matthew C.; Luther, Joseph M.; Law, Matt; Ellingson, Randy J.; Johnson, Justin C.

    2010-10-14

    Here, we will first briefly summarize the general principles of QD synthesis using our previous work on InP as an example. Then we will focus on QDs of the IV-VI Pb chalcogenides (PbSe, PbS, and PbTe) and Si QDs because these were among the first QDs that were reported to produce multiple excitons upon absorbing single photons of appropriate energy (a process we call multiple exciton generation (MEG)). We note that in addition to Si and the Pb-VI QDs, two other semiconductor systems (III-V InP QDs(56) and II-VI core-shell CdTe/CdSe QDs(57)) were very recently reported to also produce MEG. Then we will discuss photogenerated carrier dynamics in QDs, including the issues and controversies related to the cooling of hot carriers and the magnitude and significance of MEG in QDs. Finally, we will discuss applications of QDs and QD arrays in novel quantum dot PV cells, where multiple exciton generation from single photons could yield significantly higher PV conversion efficiencies.

  9. Single-shot single-voxel lactate measurements using FOCI-LASER and a multiple-quantum filter.

    PubMed

    Payne, Geoffrey S; deSouza, Nandita M; Messiou, Christina; Leach, Martin O

    2015-04-01

    Measurement of tissue lactate using (1) H MRS is often confounded by overlap with intense lipid signals at 1.3 ppm. Single-voxel localization using PRESS is also compromised by the large chemical shift displacement between voxels for the 4.1 ppm (-CH) resonance and the 1.3 ppm -CH3 resonance, leading to subvoxels with signals of opposite phase and hence partial signal cancellation. To reduce the chemical shift displacement to negligible proportions, a modified semi-LASER sequence was written ("FOCI-LASER", abbreviated as fLASER) using FOCI pulses to permit high RF bandwidth even with the limited RF amplitude characteristic of clinical MRI scanners. A further modification, MQF-fLASER, includes a selective multiple-quantum filter to detect lactate and reject lipid signals. The sequences were implemented on a Philips 3 T Achieva TX system. In a solution of brain metabolites fLASER lactate signals were 2.7 times those of PRESS. MQF-fLASER lactate was 47% of fLASER (the theoretical maximum is 50%) but still larger than PRESS lactate. In oil, the main 1.3 ppm lipid peak was suppressed to less than 1%. Enhanced suppression was possible using increased gradient durations. The minimum detectable lactate concentration was approximately 0.5 mM. Coherence selection gradients needed to be at the magic angle to avoid large water signals derived from intermolecular multiple-quantum coherences. In pilot patient measurements, lactate peaks were often observed in brain tumours, but not in cervix tumours; lipids were effectively suppressed. In summary, compared with PRESS, the fLASER sequence yields greatly superior sensitivity for direct detection of lactate (and equivalent sensitivity for other metabolites), while the single-voxel single-shot MQF-fLASER sequence surpasses PRESS for lactate detection while eliminating substantial signals from lipids. This sequence will increase the potential for in vivo lactate measurement as a biomarker in targeted anti-cancer treatments as well as

  10. Transmission coefficients for chemical reactions with multiple states: role of quantum decoherence.

    PubMed

    de la Lande, Aurélien; Řezáč, Jan; Lévy, Bernard; Sanders, Barry C; Salahub, Dennis R

    2011-03-23

    Transition-state theory (TST) is a widely accepted paradigm for rationalizing the kinetics of chemical reactions involving one potential energy surface (PES). Multiple PES reaction rate constants can also be estimated within semiclassical approaches provided the hopping probability between the quantum states is taken into account when determining the transmission coefficient. In the Marcus theory of electron transfer, this hopping probability was historically calculated with models such as Landau-Zener theory. Although the hopping probability is intimately related to the question of the transition from the fully quantum to the semiclassical description, this issue is not adequately handled in physicochemical models commonly in use. In particular, quantum nuclear effects such as decoherence or dephasing are not present in the rate constant expressions. Retaining the convenient semiclassical picture, we include these effects through the introduction of a phenomenological quantum decoherence function. A simple modification to the usual TST rate constant expression is proposed: in addition to the electronic coupling, a characteristic decoherence time τ(dec) now also appears as a key parameter of the rate constant. This new parameter captures the idea that molecular systems, although intrinsically obeying quantum mechanical laws, behave semiclassically after a finite but nonzero amount of time (τ(dec)). This new degree of freedom allows a fresh look at the underlying physics of chemical reactions involving more than one quantum state. The ability of the proposed formula to describe the main physical lines of the phenomenon is confirmed by comparison with results obtained from density functional theory molecular dynamics simulations for a triplet to singlet transition within a copper dioxygen adduct relevant to the question of dioxygen activation by copper monooxygenases. PMID:21344903

  11. Third generation photovoltaics based on multiple exciton generation in quantum confined semiconductors.

    PubMed

    Beard, Matthew C; Luther, Joseph M; Semonin, Octavi E; Nozik, Arthur J

    2013-06-18

    Improving the primary photoconversion process in a photovoltaiccell by utilizing the excess energy that is otherwise lost as heat can lead to an increase in the overall power conversion efficiency (PCE). Semiconductor nanocrystals (NCs) with at least one dimension small enough to produce quantum confinement effects provide new ways of controlling energy flow not achievable in thin film or bulk semiconductors. Researchers have developed various strategies to incorporate these novel structures into suitable solar conversion systems. Some of these methods could increase the PCE past the Shockley-Queisser (SQ) limit of ∼33%, making them viable "third generation photovoltaic" (TGPV) cell architectures. Surpassing the SQ limit for single junction solar cells presents both a scientific and a technological challenge, and the use of semiconductor NCs to enhance the primary photoconversion process offers a promising potential solution. The NCs are synthesized via solution phase chemical reactions producing stable colloidal solutions, where the reaction conditions can be modified to produce a variety of shapes, compositions, and structures. The confinement of the semiconductor NC in one dimension produces quantum films, wells, or discs. Two-dimensional confinement leads to quantum wires or rods (QRs), and quantum dots (QDs) are three-dimensionally confined NCs. The process of multiple exciton generation (MEG) converts a high-energy photon into multiple electron-hole pairs. Although many studies have demonstrated that MEG is enhanced in QDs compared with bulk semiconductors, these studies have either used ultrafast spectroscopy to measure the photon-to-exciton quantum yields (QYs) or theoretical calculations. Implementing MEG in a working solar cell has been an ongoing challenge. In this Account, we discuss the status of MEG research and strategies towards implementing MEG in working solar cells. Recently we showed an external quantum efficiency for photocurrent of greater

  12. Electric field dependent Electroreflectance of GaAs/AlGaAs multiple quantum well Bragg structure at second quantum state

    NASA Astrophysics Data System (ADS)

    Nakarmi, Mim; Shakya, Naresh; Chaldyshev, Vladimir

    Electroreflectance Spectroscopy was employed to study the effect of electric field on the excitonic transitions in a GaAs/AlGaAs multiple quantum well (MQW) Bragg structure. The sample used in this experiment consists of 60 periods of quantum well structures with GaAs well layer (~13 nm) and AlGaAs barrier layer (~94 nm), grown by molecular beam expitaxy on a semi-insulating GaAs substrate. The sample structure was designed to coincide the Bragg resonance peak with the x(e2-hh2) exciton transitions. We observed a significant enhancement of excitonic feature around the x(e2-hh2) exciton transition due to the double resonance along with the sharp features of x(e1-hh1) and x(e1-lh1) ground state exciton transitions by tuning the angle of incidence of the light. We will present the results on electric field dependent electroreflectance measurements of this structure and discuss the effect of electric field on the first and second energy states.

  13. Internal quantum efficiency improvement of InGaN/GaN multiple quantum well green light-emitting diodes

    NASA Astrophysics Data System (ADS)

    Znajdek, K.; SibińSki, M.; StrąKowska, A.; Lisik, Z.

    2016-01-01

    In recent years, GaN-based light-emitting diode (LED) has been widely used in various applications, such as RGB lighting system, full-colour display and visible-light communication. However, the internal quantum efficiency (IQE) of green LEDs is significantly lower than that of other visible spectrum LED. This phenomenon is called "green gap". This paper briefly describes the physical mechanism of the low IQE for InGaN/GaN multiple quantum well (MQW) green LED at first. The IQE of green LED is limited by the defects and the internal electric field in MQW. Subsequently, we discuss the recent progress in improving the IQE of green LED in detail. These strategies can be divided into two categories. Some of these methods were proposed to enhance crystal quality of InGaN/GaN MQW with high In composition and low density of defects by modifying the growth conditions. Other methods focused on increasing electron-hole wave function overlap by eliminating the polarization effect.

  14. Enhancement of spectral editing efficacy of multiple quantum filters in in vivo proton magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Kim, Hyeonjin; Thompson, Richard B.; Allen, Peter S.

    2012-10-01

    The performance of multiple quantum filters (MQFs) can be disappointing when the background signal also arises from coupled spins. Moreover, at 3.0 T and even higher fields the majority of the spin systems of key brain metabolites fall into the strong-coupling regime. In this manuscript we address comprehensively, the importance of the phase of the multiple quantum coherence-generating pulse (MQ-pulse) in the design of MQFs, using both product operator and numerical analysis, in both zero and double quantum filter designs. The theoretical analyses were experimentally validated with the examples of myo-inositol editing and the separation of glutamate from glutamine. The results demonstrate that the phase of the MQ-pulse per se provides an additional spectral discrimination mechanism based on the degree of coupling beyond the conventional level-of-coherence approach of MQFs. To obtain the best spectral discrimination of strongly-coupled spin systems, therefore, the phase of the MQ-pulse must be included in the portfolio of the sequence parameters to be optimized.

  15. Polarizabilities of Impurity Doped Quantum Dots Under Pulsed Field: Role of Multiplicative White Noise

    NASA Astrophysics Data System (ADS)

    Saha, Surajit; Ghosh, Manas

    2016-02-01

    We perform a rigorous analysis of the profiles of a few diagonal and off-diagonal components of linear ( α xx , α yy , α xy , and α yx ), first nonlinear ( β xxx , β yyy , β xyy , and β yxx ), and second nonlinear ( γ xxxx , γ yyyy , γ xxyy , and γ yyxx ) polarizabilities of quantum dots exposed to an external pulsed field. Simultaneous presence of multiplicative white noise has also been taken into account. The quantum dot contains a dopant represented by a Gaussian potential. The number of pulse and the dopant location have been found to fabricate the said profiles through their interplay. Moreover, a variation in the noise strength also contributes evidently in designing the profiles of above polarizability components. In general, the off-diagonal components have been found to be somewhat more responsive to a variation of noise strength. However, we have found some exception to the above fact for the off-diagonal β yxx component. The study projects some pathways of achieving stable, enhanced, and often maximized output of linear and nonlinear polarizabilities of doped quantum dots driven by multiplicative noise.

  16. Multiple quantum phase transitions and superconductivity in Ce-based heavy fermions.

    PubMed

    Weng, Z F; Smidman, M; Jiao, L; Lu, Xin; Yuan, H Q

    2016-09-01

    Heavy fermions have served as prototype examples of strongly-correlated electron systems. The occurrence of unconventional superconductivity in close proximity to the electronic instabilities associated with various degrees of freedom points to an intricate relationship between superconductivity and other electronic states, which is unique but also shares some common features with high temperature superconductivity. The magnetic order in heavy fermion compounds can be continuously suppressed by tuning external parameters to a quantum critical point, and the role of quantum criticality in determining the properties of heavy fermion systems is an important unresolved issue. Here we review the recent progress of studies on Ce based heavy fermion superconductors, with an emphasis on the superconductivity emerging on the edge of magnetic and charge instabilities as well as the quantum phase transitions which occur by tuning different parameters, such as pressure, magnetic field and doping. We discuss systems where multiple quantum critical points occur and whether they can be classified in a unified manner, in particular in terms of the evolution of the Fermi surface topology. PMID:27533524

  17. Multiple quantum phase transitions and superconductivity in Ce-based heavy fermions

    NASA Astrophysics Data System (ADS)

    Weng, Z. F.; Smidman, M.; Jiao, L.; Lu, Xin; Yuan, H. Q.

    2016-09-01

    Heavy fermions have served as prototype examples of strongly-correlated electron systems. The occurrence of unconventional superconductivity in close proximity to the electronic instabilities associated with various degrees of freedom points to an intricate relationship between superconductivity and other electronic states, which is unique but also shares some common features with high temperature superconductivity. The magnetic order in heavy fermion compounds can be continuously suppressed by tuning external parameters to a quantum critical point, and the role of quantum criticality in determining the properties of heavy fermion systems is an important unresolved issue. Here we review the recent progress of studies on Ce based heavy fermion superconductors, with an emphasis on the superconductivity emerging on the edge of magnetic and charge instabilities as well as the quantum phase transitions which occur by tuning different parameters, such as pressure, magnetic field and doping. We discuss systems where multiple quantum critical points occur and whether they can be classified in a unified manner, in particular in terms of the evolution of the Fermi surface topology.

  18. Multiple exciton generation in films of electronically coupled PbSe quantum dots.

    PubMed

    Luther, Joseph M; Beard, Matthew C; Song, Qing; Law, Matt; Ellingson, Randy J; Nozik, Arthur J

    2007-06-01

    We study multiple exciton generation (MEG) in electronically coupled films of PbSe quantum dots (QDs) employing ultrafast time-resolved transient absorption spectroscopy. We demonstrate that the MEG efficiency in PbSe does not decrease when the QDs are treated with hydrazine, which has been shown to greatly enhance carrier transport in PbSe QD films by decreasing the interdot distance. The quantum yield is measured and compared to previously reported values for electronically isolated QDs suspended in organic solvents at approximately 4 and 4.5 times the effective band gap. A slightly modified analysis is applied to extract the MEG efficiency and the absorption cross section of each sample at the pump wavelength. We compare the absorption cross sections of our samples to that of bulk PbSe. We find that both the biexciton lifetime and the absorption cross section increase in films relative to isolated QDs in solution. PMID:17530913

  19. The role of the fano resonance in multiple exciton generation in quantum dots

    NASA Astrophysics Data System (ADS)

    Oksengendler, B. L.; Marasulov, M. B.; Nikiforov, V. N.

    2016-02-01

    The phenomenon of interference between two pathways of electron transfer from the valence to the conduction band at a quantum dot is considered. The first way is the conventional "valence band-conduction band" transition, while the second is the transition via a virtual two-electron state on the Tamm level in a quantum dot (QD) followed by the Auger effect, which ejects one electron from the Tamm level to the conduction band. In the case of a coherent addition of these ionization pathways, the Fano resonance can take place, this leading to an increase in the coefficient of photon absorption. This results in increasing internal efficiency of light conversion and can provide a basis for increasing the efficiency of solar cells due to the phenomenon of multiple exciton generation.

  20. Fermionic approach to junctions of multiple quantum wires attached to Tomonaga-Luttinger liquid leads

    NASA Astrophysics Data System (ADS)

    Shi, Zheng; Affleck, Ian

    2016-07-01

    Junctions of multiple one-dimensional quantum wires of interacting electrons have received considerable theoretical attention as a basic constituent of quantum circuits. While results have been obtained on these models using bosonization and density-matrix renormalization-group (DMRG) methods, another powerful technique is based on direct perturbation theory in the bulk interactions combined with the renormalization group. This technique has so far only been applied to the case in which finite-length interacting wires are attached to noninteracting Fermi liquid leads. We extend this method to cover the case of infinite-length interacting leads, obtaining results on two- and three-lead junctions in good agreement with previous bosonization and DMRG results.

  1. Tunable Symmetries of Integer and Fractional Quantum Hall Phases in Heterostructures with Multiple Dirac Bands

    NASA Astrophysics Data System (ADS)

    Stepanov, Petr; Barlas, Yafis; Espiritu, Tim; Che, Shi; Watanabe, Kenji; Taniguchi, Takashi; Smirnov, Dmitry; Lau, Chun Ning

    2016-08-01

    The copresence of multiple Dirac bands in few-layer graphene leads to a rich phase diagram in the quantum Hall regime. Using transport measurements, we map the phase diagram of BN-encapsulated A B A -stacked trilayer graphene as a function charge density n , magnetic field B , and interlayer displacement field D , and observe transitions among states with different spin, valley, orbital, and parity polarizations. Such a rich pattern arises from crossings between Landau levels from different subbands, which reflect the evolving symmetries that are tunable in situ. At D =0 , we observe fractional quantum Hall (FQH) states at filling factors 2 /3 and -11 /3 . Unlike those in bilayer graphene, these FQH states are destabilized by a small interlayer potential that hybridizes the different Dirac bands.

  2. Tunable Symmetries of Integer and Fractional Quantum Hall Phases in Heterostructures with Multiple Dirac Bands.

    PubMed

    Stepanov, Petr; Barlas, Yafis; Espiritu, Tim; Che, Shi; Watanabe, Kenji; Taniguchi, Takashi; Smirnov, Dmitry; Lau, Chun Ning

    2016-08-12

    The copresence of multiple Dirac bands in few-layer graphene leads to a rich phase diagram in the quantum Hall regime. Using transport measurements, we map the phase diagram of BN-encapsulated ABA-stacked trilayer graphene as a function charge density n, magnetic field B, and interlayer displacement field D, and observe transitions among states with different spin, valley, orbital, and parity polarizations. Such a rich pattern arises from crossings between Landau levels from different subbands, which reflect the evolving symmetries that are tunable in situ. At D=0, we observe fractional quantum Hall (FQH) states at filling factors 2/3 and -11/3. Unlike those in bilayer graphene, these FQH states are destabilized by a small interlayer potential that hybridizes the different Dirac bands. PMID:27563989

  3. Scale-estimation of quantum coherent energy transport in multiple-minima systems

    PubMed Central

    Farrow, Tristan; Vedral, Vlatko

    2014-01-01

    A generic and intuitive model for coherent energy transport in multiple minima systems coupled to a quantum mechanical bath is shown. Using a simple spin-boson system, we illustrate how a generic donor-acceptor system can be brought into resonance using a narrow band of vibrational modes, such that the transfer efficiency of an electron-hole pair (exciton) is made arbitrarily high. Coherent transport phenomena in nature are of renewed interest since the discovery that a photon captured by the light-harvesting complex (LHC) in photosynthetic organisms can be conveyed to a chemical reaction centre with near-perfect efficiency. Classical explanations of the transfer use stochastic diffusion to model the hopping motion of a photo-excited exciton. This accounts inadequately for the speed and efficiency of the energy transfer measured in a series of recent landmark experiments. Taking a quantum mechanical perspective can help capture the salient features of the efficient part of that transfer. To show the versatility of the model, we extend it to a multiple minima system comprising seven-sites, reminiscent of the widely studied Fenna-Matthews-Olson (FMO) light-harvesting complex. We show that an idealised transport model for multiple minima coupled to a narrow-band phonon can transport energy with arbitrarily high efficiency. PMID:24980547

  4. Z and E rotamers of N-formyl-1-bromo-4-hydroxy-3-methoxymorphinan-6-one and their interconversion as studied by 1H/13C NMR spectroscopy and quantum chemical calculations

    PubMed Central

    Sulima, Agnieszka; Cheng, Kejun; Jacobson, Arthur E.; Rice, Kenner C.; Gawrisch, Klaus; Lee, Yong-Sok

    2012-01-01

    N-Formyl-1-bromo-4-hydroxy-3-methoxymorphinan-6-one (2), an important intermediate in the NIH Opiate Total Synthesis, presumably exists as a mixture of two rotamers (Z and E) in both CHCl3 and DMSO at room temperature due to the hindered rotation of its N-C18 bond in the amide moiety. By comparing the experimental 1H and 13C chemical shifts of a single rotamer and the mixture of 2 in CDCl3 with the calculated chemical shifts of the geometry optimized Z and E rotamers utilizing density functional theory, the crystalline rotamer of 2 was characterized as having the E configuration. The energy barrier between the two rotamers was also determined with the temperature dependence of 1H and 13C NMR coalescence experiments, and then compared with that from the reaction path for the interconversion of the two rotamers calculated at the level of B3LYP/6-31G*. Detailed geometry of the ground state and the transition states of both rotamers are given and discussed. PMID:23233124

  5. Polariton Resonances for Ultrastrong Coupling Cavity Optomechanics in GaAs/AlAs Multiple Quantum Wells.

    PubMed

    Jusserand, B; Poddubny, A N; Poshakinskiy, A V; Fainstein, A; Lemaitre, A

    2015-12-31

    Polariton-mediated light-sound interaction is investigated through resonant Brillouin scattering experiments in GaAs/AlAs multiple-quantum wells. Photoelastic coupling enhancement at exciton-polariton resonance reaches 10(5) at 30 K as compared to a typical bulk solid room temperature transparency value. When applied to GaAs based cavity optomechanical nanodevices, this result opens the path to huge displacement sensitivities and to ultrastrong coupling regimes in cavity optomechanics with couplings g(0) in the range of 100 GHz. PMID:26765028

  6. Approaches to Future Generation Photovoltaics and Solar Fuels: Multiple Exciton Generation in Quantum Dots, Quantum Dot Arrays, Molecular Singlet Fission, and Quantum Dot Solar Cells

    SciTech Connect

    Nozik, A. J.; Beard, M. C.; Johnson, J. C.; Hanna, M. C.; Luther, J. M.; Midgett, A.; Semonin, O.; Michel, J.

    2012-01-01

    One potential, long-term approach to more efficient future generation solar cells is to utilize the unique properties of quantum dots (QDs) and unique molecular chromophores to control the relaxation pathways of excited states to produce enhanced conversion efficiency through efficient multiple electron-hole pair generation from single photons . We have observed efficient multiple exciton generation (MEG) in PbSe, PbS, PbTe, and Si QDs and efficient singlet fission (SF) in molecules that satisfy specific requirements for their excited state energy level structure to achieve carrier multiplication. We have studied MEG in close-packed QD arrays where the QDs are electronically coupled in the films and thus exhibit good transport while still maintaining quantization and MEG. We have developed simple, all-inorganic QD solar cells that produce large short-circuit photocurrents and power conversion efficiencies in the 3-5% range via both nanocrystalline Schottky junctions and nanocrystalline p-n junctions. These solar cells also show QYs for photocurrent that exceed 100% in the photon energy regions where MEG is possible; the photocurrent MEG QYs as a function of photon energy match those determined via time-resolved spectroscopy. We have also observed very efficient SF in thin films of molecular crystals of 1,3 diphenylisobenzofuran with quantum yields of 200% at the optimum SF threshold of 2Eg (HOMO-LUMO for S{sub 0}-S{sub 1}), reflecting the creation of two excited triplet states from the first excited singlet state. Various possible configurations for novel solar cells based on MEG in QDs and SF in molecules that could produce high conversion efficiencies will be presented, along with progress in developing such new types of solar cells. Recent analyses of the effect of MEG or SF combined with solar concentration on the conversion efficiency of solar cells will be discussed.

  7. Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of 2-(5-(4-Chlorophenyl)-3-(pyridin-2-yl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole by DFT method

    NASA Astrophysics Data System (ADS)

    Diwaker

    2014-07-01

    The electronic, NMR, vibrational, structural properties of a new pyrazoline derivative: 2-(5-(4-Chlorophenyl)-3-(pyridine-2-yl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole has been studied using Gaussian 09 software package. Using VEDA 4 program we have reported the PED potential energy distribution of normal mode of vibrations of the title compound. We have also reported the 1H and 13C NMR chemical shifts of the title compound using B3LYP level of theory with 6-311++G(2d,2p) basis set. Using time dependent (TD-DFT) approach electronic properties such as HOMO and LUMO energies, electronic spectrum of the title compound has been studied and reported. NBO analysis and MEP surface mapping has also been calculated and reported using ab initio methods.

  8. Gain properties of doped GaAs/AlGaAs multiple quantum well avalanche photodiode structures

    NASA Technical Reports Server (NTRS)

    Menkara, H. M.; Wagner, B. K.; Summers, C. J.

    1995-01-01

    A comprehensive characterization has been made of the static and dynamical response of conventional and multiple quantum well (MQW) avalanche photodiodes (APDs). Comparison of the gain characteristics at low voltages between the MQW and conventional APDs show a direct experimental confirmation of a structure-induced carrier multiplication due to interband impact ionization. Similar studies of the bias dependence of the excess noise characteristics show that the low-voltage gain is primarily due to electron ionization in the MQW-APDS, and to both electron and hole ionization in the conventional APDS. For the doped MQW APDS, the average gain per stage was calculated by comparing gain data with carrier profile measurements, and was found to vary from 1.03 at low bias to 1.09 near avalanche breakdown.

  9. Dynamic light-matter coupling across multiple spatial dimensions in a quantum dots-in-a-well heterostructure

    SciTech Connect

    Prasankumar, Rohit P; Taylor, Antoinette J; Chow, W W; Attaluri, R S; Shenoi, R

    2009-01-01

    Semiconductor heterostructures incorporating multiple degrees of spatial confinement have recently attracted substantial interest for photonic applications. One example is the quantum dots-in-a-well (DWELL) heterostructure, consisting of zero-dimensional quantum dots embedded in a two-dimensional quantum well and surrounded by three-dimensional bulk material. This structure offers several advantages over conventional photonic devices while providing a model system for the study of light-matter interactions across multiple spatial dimensions. Here, we use ultrafast differential transmission spectroscopy2 to temporally and spectrally resolve density-dependent carrier dynamics in a DWELL heterostructure. We observe excitation-dependent shifts of the quantum dot energy levels at low densities, while at high densities we observe an anomalous induced absorption at the quantum dot excited state that is correlated to quantum well population dynamics. These studies of density-dependent light-matter interactions across multiple coupled spatial dimensions provide clues to the underlying physics governing quantum dot properties, with important implications for DWELL-based photonic devices.

  10. Quantum confinement in semiconductor nanofilms: Optical spectra and multiple exciton generation

    NASA Astrophysics Data System (ADS)

    Khmelinskii, Igor; Makarov, Vladimir I.

    2016-04-01

    We report optical absorption and photoluminescence (PL) spectra of Si and SnO2 nanocrystalline films in the UV-vis-NIR range, featuring discrete bands resulting from transverse quantum confinement, observed in the optical spectra of nanofilms for the first time ever. The film thickness ranged from 3.9 to 12.2 nm, depending on the material. The results are interpreted within the particle-in-a-box model, with infinite walls. The calculated values of the effective electron mass are independent on the film thickness and equal to 0.17mo (Si) and 0.21mo (SnO2), with mo the mass of the free electron. The second calculated model parameter, the quantum number n of the HOMO (valence band), was also thickness-independent: 8.00 (Si) and 7.00 (SnO2). The transitions observed in absorption all start at the level n and correspond to Δn = 1, 2, 3, …. The photoluminescence bands exhibit large Stokes shifts, shifting to higher energies with increased excitation energy. In effect, nanolayers of Si, an indirect-gap semiconductor, behave as a direct-gap semiconductor, as regards the transverse-quantized level system. A prototype Si-SnO2 nanofilm photovoltaic cell demonstrated photoelectron quantum yields achieving 2.5, showing clear evidence of multiple exciton generation, for the first time ever in a working nanofilm device.

  11. Optical Study of Exciton Localization Phenomena in Semimagnetic Semiconductors and Their Multiple Quantum Wells.

    NASA Astrophysics Data System (ADS)

    Zhang, Xi-Cheng

    1986-12-01

    The results of picosecond photomodulation and photoluminescence spectroscopies in novel II-VI semimagnetic semiconductors Cd(,1-x)Mn(,x)Te (x < 0.50) bulk and multiple quantum well (MQW) samples are presented. By studying excitonic emission near the bandgap of semiconductors, it is found that excitons can be confined or localized by alloy potential fluctuations, quantum well confinements, local strain of heterointerfaces and energy self-trapping. Steady-state photoluminescence in undoped CdTe/Cd(,1 -x)Mn(,x)Te MQW samples at low temperature shows intense excitonic emission where their radiative quantum efficiencies are two or three orders of magnitude larger than that of the high quality CdTe bulk samples. Time-resolved photoluminescence shows that the excitons have relatively short lifetime (500 picosecond). High quantum efficiency and short exciton lifetime suggest that the radiative recombination is a dominating factor in the excitonic-decay processes in the MQW samples. In general, excitonic emission energies in CdMnTe MQW samples are lower than the free exciton energies (typically 20-40 meV lower as noted from the reflectance spectra). The behavior of these emissions under an external magnetic field (up to 36 tesla) shows that excitons prefer to be localized at the heterointerfaces rather than at the center of the wells in MQW samples. The kinetics of the free and the heterointerface localized excitons in the Cd(,1-x)Mn(,x)Te/Cd(,1-y)Mn(,y)Te MQW samples have been studied by using a transient photoluminescence technique. Exciton lifetimes have been measured in several samples with various quantum well widths. The trapping time of the free exciton localized at the interface has been observed in the wide quantum well samples. The average energy loss rate of localized excitons has been calculated. The resonance excitation spectra of steady-state and transient luminescence show that the exciton spectra are spatially inhomogeneously broadened. An external magnetic

  12. Upper bounds on the error probabilities and asymptotic error exponents in quantum multiple state discrimination

    SciTech Connect

    Audenaert, Koenraad M. R.; Mosonyi, Milán

    2014-10-01

    We consider the multiple hypothesis testing problem for symmetric quantum state discrimination between r given states σ₁, …, σ{sub r}. By splitting up the overall test into multiple binary tests in various ways we obtain a number of upper bounds on the optimal error probability in terms of the binary error probabilities. These upper bounds allow us to deduce various bounds on the asymptotic error rate, for which it has been hypothesized that it is given by the multi-hypothesis quantum Chernoff bound (or Chernoff divergence) C(σ₁, …, σ{sub r}), as recently introduced by Nussbaum and Szkoła in analogy with Salikhov's classical multi-hypothesis Chernoff bound. This quantity is defined as the minimum of the pairwise binary Chernoff divergences min{sub jquantum Chernoff bound is always achieved.

  13. Addressable single-spin control in multiple quantum dots coupled in series

    NASA Astrophysics Data System (ADS)

    Nakajima, Takashi

    2015-03-01

    Electron spin in semiconductor quantum dots (QDs) is promising building block of quantum computers for its controllability and potential scalability. Recent experiments on GaAs QDs have demonstrated necessary ingredients of universal quantum gate operations: single-spin rotations by electron spin resonance (ESR) which is virtually free from the effect of nuclear spin fluctuation, and pulsed control of two-spin entanglement. The scalability of this architecture, however, has remained to be demonstrated in the real world. In this talk, we will present our recent results on implementing single-spin-based qubits in triple, quadruple, and quintuple QDs based on a series coupled architecture defined by gate electrodes. Deterministic initialization of individual spin states and spin-state readout were performed by the pulse operation of detuning between two neighboring QDs. The spin state was coherently manipulated by ESR, where each spin in different QDs is addressed by the shift of the resonance frequency due to the inhomogeneous magnetic field induced by the micro magnet deposited on top of the QDs. Control of two-spin entanglement was also demonstrated. We will discuss key issues for implementing quantum algorithms based on three or more qubits, including the effect of a nuclear spin bath, single-shot readout fidelity, and tuning of multiple qubit devices. Our approaches to these issues will be also presented. This research is supported by Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST) from JSPS, IARPA project ``Multi-Qubit Coherent Operations'' through Copenhagen University, and Grant-in-Aid for Scientific Research from JSPS.

  14. Theory of multiple quantum dot formation in strained-layer heteroepitaxy

    NASA Astrophysics Data System (ADS)

    Du, Lin; Maroudas, Dimitrios

    2016-07-01

    We develop a theory for the experimentally observed formation of multiple quantum dots (QDs) in strained-layer heteroepitaxy based on surface morphological stability analysis of a coherently strained epitaxial thin film on a crystalline substrate. Using a fully nonlinear model of surface morphological evolution that accounts for a wetting potential contribution to the epitaxial film's free energy as well as surface diffusional anisotropy, we demonstrate the formation of multiple QD patterns in self-consistent dynamical simulations of the evolution of the epitaxial film surface perturbed from its planar state. The simulation predictions are supported by weakly nonlinear analysis of the epitaxial film surface morphological stability. We find that, in addition to the Stranski-Krastanow instability, long-wavelength perturbations from the planar film surface morphology can trigger a nonlinear instability, resulting in the splitting of a single QD into multiple QDs of smaller sizes, and predict the critical wavelength of the film surface perturbation for the onset of the nonlinear tip-splitting instability. The theory provides a fundamental interpretation for the observations of "QD pairs" or "double QDs" and other multiple QDs reported in experimental studies of epitaxial growth of semiconductor strained layers and sets the stage for precise engineering of tunable-size nanoscale surface features in strained-layer heteroepitaxy by exploiting film surface nonlinear, pattern forming phenomena.

  15. Cross Polarization for 1H NMR Image Contrast in Solids

    NASA Astrophysics Data System (ADS)

    Nakai, Toshihito; Fukunaga, Yasuhiro; Nonaka, Masayuki; Matsui, Shigeru; Inouye, Tamon

    1998-09-01

    A novel1H imaging method for solids, yielding images reflecting1H-13C dipolar interactions through cross relaxation timeTIS, is presented. Phase-alternating multiple-contact cross polarization (PAMC CP) was incorporated into the magic-echo frequency-encoding imaging scheme; the PAMC CP sequence may partly but efficiently destroy the initial1H magnetization depending on theTISvalues. A theory describing the effects of the PAMC CP sequence was developed, which was used for the assessment of the sequence as well as the analysis for the experimental results. It was demonstrated that theTIS-weighted1H image and theTISmapping for a phantom, constituted of adamantane and ferrocene, can distinguish these compounds clearly.

  16. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Anitha, R.; Devi, L.; Mohan, S.; Yang, Haifeng

    2015-01-01

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm-1 and 4000-100 cm-1, respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G** and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron + nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The 1H and 13C NMR chemical shifts of the molecules have been analysed.

  17. Molecular structures and conformations of 1-benzenesulphonyl-2-oxo-5-alkoxypyrrolidines with anti-amnesic activity. X-ray, 1H-NMR and quantum mechanical (PM3) studies

    NASA Astrophysics Data System (ADS)

    Amato, Maria E.; Bandoli, Giuliano; Dolmella, Alessandro; Grassi, Antonio; Pappalardo, Giuseppe C.; Toja, Emilio

    1991-04-01

    The crystal and molecular structures of the nootropic agents RU-47001 ((±) 1-(4-nitrobenzenesulphonyl)-2-oxo-5-ethoxypyrrolidine) and RU-47064 ((±) 1-(4-nitrobenzenesulphonyl)-2-oxo-5-isopropyloxypyrrolidine) have been determined by X-ray analysis and their solution conformation has been investigated using 1H NMR spectroscopy. The conformations of these molecules together with those of their analogues RU-35929 ((±) 1-benzenesulphonyl-2-oxo-5-ethoxypyrrolidine), RU-47010 ((±) 1-(3-pyridinylsulphonyl)-2-oxo-5-ethoxypyrrolidine) and RU-35965 ((±) 1-benzenesulphonyl-2-oxo-5-isopropyloxypyrrolidine) have been deduced from semi-quantitative PM3 type theoretical calculations. The main feature of all compounds consists of a common envelope conformation with C (4) at the flap of the pyrrolidinone ring in the solid, that in solution changes into the analogous, but opposite, possible puckered conformational isomer. The 5-alkoxy groups were found rather flexible in solution. Theoretical preferred conformations about NS and SC bonds were in acceptable agreement with those of the solid state. The calculated torsional energetics suggested that 1- 5 do not undergo conformational interconversion.

  18. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR) investigations of O-desmethyltramadol hydrochloride an active metabolite in tramadol--an analgesic drug.

    PubMed

    Arjunan, V; Santhanam, R; Marchewka, M K; Mohan, S

    2014-03-25

    O-desmethyltramadol is one of the main metabolites of tramadol widely used clinically and has analgesic activity. The FTIR and FT-Raman spectra of O-desmethyl tramadol hydrochloride are recorded in the solid phase in the regions 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The observed fundamentals are assigned to different normal modes of vibration. Theoretical studies have been performed as its hydrochloride salt. The structure of the compound has been optimised with B3LYP method using 6-31G(**) and cc-pVDZ basis sets. The optimised bond length and bond angles are correlated with the X-ray data. The experimental wavenumbers were compared with the scaled vibrational frequencies determined by DFT methods. The IR and Raman intensities are determined with B3LYP method using cc-pVDZ and 6-31G(d,p) basic sets. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/cc-pVDZ method to display electrostatic potential (electron+nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of O-desmethyltramadol hydrochloride has been performed to indicate the presence of intramolecular charge transfer. The (1)H and (13)C NMR chemical shifts of the molecule have been anlysed. PMID:24316546

  19. Comprehensive quantum chemical and spectroscopic (FTIR, FT-Raman, (1)H, (13)C NMR) investigations of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane.

    PubMed

    Arjunan, V; Anitha, R; Devi, L; Mohan, S; Yang, Haifeng

    2015-01-25

    Aromatic epoxides are causative factors for mutagenic and carcinogenic activity of polycyclic arenes. The 1,2- or 2,3-epoxy compounds are widely used to a considerable extent in the textile, plastics, pharmaceutical, cosmetics, detergent and photochemical industries. The FTIR and FT-Raman spectra of (1,2-epoxyethyl)benzene and (1,2-epoxy-2-phenyl)propane are recorded in the regions 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The observed fundamentals are assigned to different normal modes of vibration. The structure of the compound has been optimised with B3LYP method using 6-311++G(**) and cc-pVTZ basis sets. The IR and Raman intensities are determined. The total electron density and molecular electrostatic potential surfaces of the molecule are constructed by using B3LYP/6-311++G(d,p) method to display electrostatic potential (electron+nuclei) distribution. The electronic properties HOMO and LUMO energies were measured. Natural bond orbital analysis of the compounds has been performed to indicate the presence of intramolecular charge transfer. The (1)H and (13)C NMR chemical shifts of the molecules have been analysed. PMID:25062058

  20. Intramolecular excited proton transfer of 1-(1-phenyl-1H-phenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol - A combined experimental and quantum chemical studies

    NASA Astrophysics Data System (ADS)

    Jayabharathi, J.; Thanikachalam, V.; Ramanathan, P.; Arunpandiyan, A.

    2014-03-01

    Synthesis of the 1-(1-phenyl-1H-phenanthro[9,10-d]imidazol-2-yl)naphthalen-2-ol [PPIN] is reported, spectral and fluorescent properties of the title compound are investigated. The feasibility of excited state intramolecular proton transfer (ESIPT) has been argued from the changeover of relative stability of the enol and the keto forms on photoexcitation from the S0-PES to the S1-PES. Critical evaluation on the modulations of geometrical parameters other than the proton transfer reaction coordinate has also been undertaken. The intramolecular hydrogen bonding (IMHB) interaction in PPIN has been explored by calculation of the hyperconjugative charge transfer interaction from the lone electron pair of ring nitrogen atom to the σ∗ orbital of O-H bond, under the provision of Natural Bond Orbital (NBO) analysis. However, DFT calculations together with the experimental results reveal that the excited species with the intramolecular N⋯HO hydrogen bond type undergoes rapid radiationless deactivation. This leads to a conclusion that the low-intensity dual-band fluorescence of the title compound in solution originates from the traces of the conformation with the -OH bond to azomethine nitrogen atom (ESIPT).

  1. Investigation of Photoluminescence and Photocurrent in InGaAsP/InP Strained Multiple Quantum Well Heterostructures

    NASA Technical Reports Server (NTRS)

    Raisky, O. Y.; Wang, W. B.; Alfano, R. R.; Reynolds, C. L., Jr.; Swaminathan, V.

    1997-01-01

    Multiple quantum well InGaAsP/InP p-i-n laser heterostructures with different barrier thicknesses have been investigated using photoluminescence (PL) and photocurrent (PC) measurements. The observed PL spectrum and peak positions are in good agreement with those obtained from transfer matrix calculations. Comparing the measured quantum well PC with calculated carrier escape rates, the photocurrent changes are found to be governed by the temperature dependence of the electron escape time.

  2. Multiple functional UV devices based on III-Nitride quantum wells for biological warfare agent detection

    NASA Astrophysics Data System (ADS)

    Wang, Qin; Savage, Susan; Persson, Sirpa; Noharet, Bertrand; Junique, Stéphane; Andersson, Jan Y.; Liuolia, Vytautas; Marcinkevicius, Saulius

    2009-02-01

    We have demonstrated surface normal detecting/filtering/emitting multiple functional ultraviolet (UV) optoelectronic devices based on InGaN/GaN, InGaN/AlGaN and AlxGa1-xN/AlyGa1-yN multiple quantum well (MQW) structures with operation wavelengths ranging from 270 nm to 450 nm. Utilizing MQW structure as device active layer offers a flexibility to tune its long cut-off wavelength in a wide UV range from solar-blind to visible by adjusting the well width, well composition and barrier height. Similarly, its short cut-off wavelength can be adjusted by using a GaN or AlGaN block layer on a sapphire substrate when the device is illuminated from its backside, which further provides an optical filtering effect. When a current injects into the device under forward bias the device acts as an UV light emitter, whereas the device performs as a typical photodetector under reverse biases. With applying an alternating external bias the device might be used as electroabsorption modulator due to quantum confined Stark effect. In present work fabricated devices have been characterized by transmission/absorption spectra, photoresponsivity, electroluminescence, and photoluminescence measurements under various forward and reverse biases. The piezoelectric effect, alloy broadening and Stokes shift between the emission and absorption spectra in different InGaN- and AlGaN-based QW structures have been investigated and compared. Possibilities of monolithic or hybrid integration using such multiple functional devices for biological warfare agents sensing application have also be discussed.

  3. Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with methyl and phenyl derivatives of 2,2'-bipyridine and 1,10-phenanthroline.

    PubMed

    Pazderski, Leszek; Tousek, Jaromír; Sitkowski, Jerzy; Kozerski, Lech; Szłyk, Edward

    2007-12-01

    1H, 13C and 15N NMR studies of platinide(II) (M=Pd, Pt) chloride complexes with methyl and phenyl derivatives of 2,2'-bipyridine and 1,10-phenanthroline [LL=4,4'-dimethyl-2,2'-bipyridine (dmbpy); 4,4'-diphenyl-2,2'-bipyridine (dpbpy); 4,7-dimethyl-1,10-phenanthroline (dmphen); 4,7-diphenyl-1,10-phenanthroline (dpphen)] having a general [M(LL)Cl2] formula were performed and the respective chemical shifts (delta1H, delta13C, delta15N) reported. 1H high-frequency coordination shifts (Delta1Hcoord=delta1Hcomplex-delta1Hligand) were discussed in relation to the changes of diamagnetic contribution in the relevant 1H shielding constants. The comparison to literature data for similar [M(LL)(XX)], [M(LL)X2] and [M(LL)XY] coordination or organometallic compounds containing various auxiliary ligands revealed a large dependence of delta1H parameters on inductive and anisotropic effects. 15N low-frequency coordination shifts (Delta15Ncoord=delta 15Ncomplex-delta15Nligand) of ca 88-96 ppm for M=Pd and ca 103-111 ppm for M=Pt were attributed to both the decrease of the absolute value of paramagnetic contribution and the increase of the diamagnetic term in the expression for 15N shielding constants. The absolute magnitude of Delta15Ncoord parameter increased by ca 15 ppm upon Pd(II)-->Pt(II) transition and by ca 6-7 ppm following dmbpy-->dmphen or dpbpy-->dpphen ligand replacement; variations between analogous complexes containing methyl and phenyl ligands (dmbpy vs dpbpy; dmphen vs dpphen) did not exceed+/-1.5 ppm. Experimental 1H, 13C, 15N NMR chemical shifts were compared to those quantum-chemically calculated by B3LYP/LanL2DZ+6-31G**//B3LYP/LanL2DZ+6-31G*, both in vacuo and in DMSO or DMF solution. PMID:18044804

  4. Optically induced excitonic electroabsorption in a periodically delta-doped InGaAs/GaAs multiple quantum well structure

    NASA Technical Reports Server (NTRS)

    Larsson, A.; Maserjian, J.

    1991-01-01

    Large optically induced Stark shifts have been observed in a periodically delta-doped InGaAs/GaAs multiple quantum well structure. With an excitation intensity of 10 mW/sq cm, an absolute quantum well absorption change of 7000/cm was measured with a corresponding differential absorption change as high as 80 percent. The associated maximum change in the quantum well refractive index is 0.04. This material is promising for device development for all-optical computing and signal processing.

  5. The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

    NASA Astrophysics Data System (ADS)

    Chen, Xin

    2014-04-01

    Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems.

  6. The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

    SciTech Connect

    Chen, Xin

    2014-04-21

    Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems.

  7. Trace level detection of compounds related to the chemical weapons convention by 1H-detected 13C NMR spectroscopy executed with a sensitivity-enhanced, cryogenic probehead.

    PubMed

    Cullinan, David B; Hondrogiannis, George; Henderson, Terry J

    2008-04-15

    Two-dimensional 1H-13C HSQC (heteronuclear single quantum correlation) and fast-HMQC (heteronuclear multiple quantum correlation) pulse sequences were implemented using a sensitivity-enhanced, cryogenic probehead for detecting compounds relevant to the Chemical Weapons Convention present in complex mixtures. The resulting methods demonstrated exceptional sensitivity for detecting the analytes at trace level concentrations. 1H-13C correlations of target analytes at < or = 25 microg/mL were easily detected in a sample where the 1H solvent signal was approximately 58,000-fold more intense than the analyte 1H signals. The problem of overlapping signals typically observed in conventional 1H spectroscopy was essentially eliminated, while 1H and 13C chemical shift information could be derived quickly and simultaneously from the resulting spectra. The fast-HMQC pulse sequences generated magnitude mode spectra suitable for detailed analysis in approximately 4.5 h and can be used in experiments to efficiently screen a large number of samples. The HSQC pulse sequences, on the other hand, required roughly twice the data acquisition time to produce suitable spectra. These spectra, however, were phase-sensitive, contained considerably more resolution in both dimensions, and proved to be superior for detecting analyte 1H-13C correlations. Furthermore, a HSQC spectrum collected with a multiplicity-edited pulse sequence provided additional structural information valuable for identifying target analytes. The HSQC pulse sequences are ideal for collecting high-quality data sets with overnight acquisitions and logically follow the use of fast-HMQC pulse sequences to rapidly screen samples for potential target analytes. Use of the pulse sequences considerably improves the performance of NMR spectroscopy as a complimentary technique for the screening, identification, and validation of chemical warfare agents and other small-molecule analytes present in complex mixtures and environmental

  8. Quantization of Relativistic action in multiples of Planck's (constant) Quantum of action

    NASA Astrophysics Data System (ADS)

    Estakhr, Ahmad Reza

    2013-04-01

    Quantization of Relativistic action in multiples of Planck's (constant) Quantum of action. a new Postulate for special relativity theory. The third Postulate of special relativity: Relativistic action is limited to Planck's Quantum of action. S=^tftiLdt=n.h n Z. where the L=-moc^2^amp;-1, is the Lagrangian. action for a point particle in a curved spacetime. S =-Mc ds = -Mc ξ0^ξ1√gμν(x)dx^μ(ξ)dξ dx^ν(ξ)dξ dξ=nh Quantization of Nambu-Goto action: S = -12πα' d^2 σ√X ^2 - X'^2 = nh n Z. point: The action S= - E0 δτ of a relativistic particle is minus the rest energy E0=m0c^2 times the change δτ=τf-τi in proper time. Single relativistic particle When relativistic effects are significant, the action of a point particle of mass ``m'' travelling a world line ``C'' parametrized by the proper time τ is :S = - moc^2 C,τ. If instead, the particle is parametrized by the coordinate time ''t'' of the particle and the coordinate time ranges from t1 to t2, then the action becomes :t1^t2L ,t where the Lagrangian is :L = - moc^2 √1 - v^2c^2.

  9. Enhanced carrier multiplication in engineered quasi-type-II quantum dots

    PubMed Central

    Cirloganu, Claudiu M.; Padilha, Lazaro A.; Lin, Qianglu; Makarov, Nikolay S.; Velizhanin, Kirill A.; Luo, Hongmei; Robel, Istvan; Pietryga, Jeffrey M.; Klimov, Victor I.

    2014-01-01

    One process limiting the performance of solar cells is rapid cooling (thermalization) of hot carriers generated by higher-energy solar photons. In principle, the thermalization losses can be reduced by converting the kinetic energy of energetic carriers into additional electron-hole pairs via carrier multiplication (CM). While being inefficient in bulk semiconductors this process is enhanced in quantum dots, although not sufficiently high to considerably boost the power output of practical devices. Here we demonstrate that thick-shell PbSe/CdSe nanostructures can show almost a fourfold increase in the CM yield over conventional PbSe quantum dots, accompanied by a considerable reduction of the CM threshold. These structures enhance a valence-band CM channel due to effective capture of energetic holes into long-lived shell-localized states. The attainment of the regime of slowed cooling responsible for CM enhancement is indicated by the development of shell-related emission in the visible observed simultaneously with infrared emission from the core. PMID:24938462

  10. Enhanced carrier multiplication in engineered quasi-type-II quantum dots.

    PubMed

    Cirloganu, Claudiu M; Padilha, Lazaro A; Lin, Qianglu; Makarov, Nikolay S; Velizhanin, Kirill A; Luo, Hongmei; Robel, Istvan; Pietryga, Jeffrey M; Klimov, Victor I

    2014-01-01

    One process limiting the performance of solar cells is rapid cooling (thermalization) of hot carriers generated by higher-energy solar photons. In principle, the thermalization losses can be reduced by converting the kinetic energy of energetic carriers into additional electron-hole pairs via carrier multiplication (CM). While being inefficient in bulk semiconductors this process is enhanced in quantum dots, although not sufficiently high to considerably boost the power output of practical devices. Here we demonstrate that thick-shell PbSe/CdSe nanostructures can show almost a fourfold increase in the CM yield over conventional PbSe quantum dots, accompanied by a considerable reduction of the CM threshold. These structures enhance a valence-band CM channel due to effective capture of energetic holes into long-lived shell-localized states. The attainment of the regime of slowed cooling responsible for CM enhancement is indicated by the development of shell-related emission in the visible observed simultaneously with infrared emission from the core. PMID:24938462

  11. Multiple exciton generation and ultrafast exciton dynamics in HgTe colloidal quantum dots.

    PubMed

    Al-Otaify, Ali; Kershaw, Stephen V; Gupta, Shuchi; Rogach, Andrey L; Allan, Guy; Delerue, Christophe; Binks, David J

    2013-10-21

    The investigation of sub-nanosecond exciton dynamics in HgTe colloidal quantum dots using ultrafast transient absorption spectroscopy is reported. The transmittance change spectrum acquired immediately after pumping is dominated by a bleach blue-shifted by ~200-300 nm from the photoluminescent emission band. Comparison with a tight-binding model of the electronic structure allows this feature to be attributed to the filling of band edge states. The form of the pump-induced transmittance transients is dependent on the excitation rate and the rate of sample stirring. For moderate pumping of stirred samples, the transmittance transients are well-described by a mono-exponential decay associated with biexciton recombination, with a lifetime of 49 ± 2 ps. For samples that are strongly-pumped or unstirred, the decay becomes bi-exponential in form, indicating that trap-related recombination has become significant. We also present a new analysis that enables fractional transmittance changes to be related to band edge occupation for samples with arbitrary optical density at the pump wavelength. This allows us to identify the occurrence of multiple exciton generation, which results in a quantum yield of 1.36 ± 0.04 for a photon energy equivalent to 3.1 times the band gap, in good agreement with the results of the model. PMID:23999734

  12. Bound states for multiple Dirac-δ wells in space-fractional quantum mechanics

    SciTech Connect

    Tare, Jeffrey D. Esguerra, Jose Perico H.

    2014-01-15

    Using the momentum-space approach, we obtain bound states for multiple Dirac-δ wells in the framework of space-fractional quantum mechanics. Introducing first an attractive Dirac-comb potential, i.e., Dirac comb with strength −g (g > 0), in the space-fractional Schrödinger equation we show that the problem of obtaining eigenenergies of a system with N Dirac-δ wells can be reduced to a problem of obtaining the eigenvalues of an N × N matrix. As an illustration we use the present matrix formulation to derive expressions satisfied by the bound-state energies of N = 1, 2, 3 delta wells. We also obtain the corresponding wave functions and express them in terms of Fox's H-function.

  13. Interface properties of Ga(As,P)/(In,Ga)As strained multiple quantum well structures

    NASA Astrophysics Data System (ADS)

    Samberg, Joshua P.; Alipour, Hamideh M.; Bradshaw, Geoffrey K.; Zachary Carlin, C.; Colter, Peter C.; LeBeau, James M.; El-Masry, N. A.; Bedair, Salah M.

    2013-08-01

    (In,Ga)As/Ga(As,P) multiple quantum wells (MQWs) with GaAs interface layers have been characterized with photoluminescence (PL) and high resolution scanning transmission electron microscopy (STEM). By growing (In,Ga)As/Ga(As,P) MQWs with asymmetric GaAs interfacial layers, we found that phosphorus carry-over had a profound effect on the absorption edge of the (In,Ga)As wells. Evidence for this phosphorus was initially determined via PL and then definitively proven through STEM and energy dispersive x-ray spectroscopy. We show that the phosphorus carry-over can be prevented with sufficiently thick GaAs transition layers. Preliminary results for GaAs p-i-n solar cells utilizing the improved MQWs are presented.

  14. Deep-Etched Photonic Crystal Laser Structure of InP-Based Asymmetric Multiple Quantum Wells

    NASA Astrophysics Data System (ADS)

    Bai, Jiun-Cheng; Chen, Chun-Yang; Chiu, Chien-Liang; Hsin, Jin-Yuan; Lin, Eu-Ying; Lay, Tsong-Sheng

    2009-06-01

    A photonic crystal (PhC) laser structure was fabricated on an InP substrate. The wafer consists of a p-i-n laser epitaxial structure using asymmetric InGaAs/InGaAlAs multiple quantum wells as the active layer. The epistructure has a broadband electroluminescence spectrum centered at an optical wavelength (λ) = 1538 nm with a 3 dB bandwidth = 115 nm. The deep-etched PhC laser structure was achieved by inductively coupled plasma dry etching using a Cl2 + SiCl4 + CH4 mixture. The room-temperature optical spectrum of the PhC laser structure shows three sharp emission peaks at λ= 1505, 1535, and 1551 nm, which correspond to the resonant modes of the PhC.

  15. Phase separation in InGaN/GaN multiple quantum wells

    SciTech Connect

    McCluskey, M.D.; Romano, L.T.; Krusor, B.S.; Bour, D.P.; Johnson, N.M.; Brennan, S.

    1998-04-01

    Evidence is presented for phase separation in In{sub 0.27}Ga{sub 0.73}N/GaN multiple quantum wells. After annealing for 40 h at a temperature of 950{degree}C, the absorption threshold at 2.95 eV is replaced by a broad peak at 2.65 eV. This peak is attributed to the formation of In-rich InGaN phases in the active region. X-ray diffraction measurements show a shift in the diffraction peaks toward GaN, consistent with the formation of an In-poor phase. A diffraction peak corresponding to an In-rich phase is also present in the annealed material. Nanoscale In-rich InGaN precipitates are observed by transmission electron microscopy and energy dispersive x-ray chemical analysis. {copyright} {ital 1998 American Institute of Physics.}

  16. Exciton effects in the index of refraction of multiple quantum wells and superlattices

    NASA Technical Reports Server (NTRS)

    Kahen, K. B.; Leburton, J. P.

    1986-01-01

    Theoretical calculations of the index of refraction of multiple quantum wells and superlattices are presented. The model incorporates both the bound and continuum exciton contributions for the gamma region transitions. In addition, the electronic band structure model has both superlattice and bulk alloy properties. The results indicate that large light-hole masses, i.e., of about 0.23, produced by band mixing effects, are required to account for the experimental data. Furthermore, it is shown that superlattice effects rapidly decrease for energies greater than the confining potential barriers. Overall, the theoretical results are in very good agreement with the experimental data and show the importance of including exciton effects in the index of refraction.

  17. Development and use of a quantum dot probe to track multiple yeast strains in mixed culture

    PubMed Central

    Gustafsson, Frida S.; Whiteside, Matthew D.; Jiranek, Vladimir; Durall, Daniel M.

    2014-01-01

    Saccharomyces cerevisiae strains vary in their ability to develop and enhance sensory attributes of alcoholic beverages and are often found growing in mixed strain fermentations; however, quantifying individual strains is challenging due to quantification inaccuracies, low marker longevity, and compromised kinetics. We developed a fluorescent probe, consisting of glutathione molecules conjugated to a quantum dot (QD). Two S. cerevisiae strains were incubated with different coloured probes (QD attached to glutathione molecules, QD-GSH), fermented at multiple ratios, and quantified using confocal microscopy. The QD method was compared with a culture method using microsatellite DNA analysis (MS method). Probes were taken up by an ADP1 encoded transporter, transferred from mother cell to daughter cell, detectable in strains throughout fermentation, and were non-toxic. This resulted in a new quantification method that was more accurate and efficient than the MS method. PMID:25382600

  18. Germanium-tin multiple quantum well on silicon avalanche photodiode for photodetection at two micron wavelength

    NASA Astrophysics Data System (ADS)

    Dong, Yuan; Wang, Wei; Lee, Shuh Ying; Lei, Dian; Gong, Xiao; Khai Loke, Wan; Yoon, Soon-Fatt; Liang, Gengchiau; Yeo, Yee-Chia

    2016-09-01

    We report the demonstration of a germanium-tin multiple quantum well (Ge0.9Sn0.1 MQW)-on-Si avalanche photodiode (APD) for light detection near the 2 μm wavelength range. The measured spectral response covers wavelengths from 1510 to 2003 nm. An optical responsivity of 0.33 A W‑1 is achieved at 2003 nm due to the internal avalanche gain. In addition, a thermal coefficient of breakdown voltage is extracted to be 0.053% K‑1 based on the temperature-dependent dark current measurement. As compared to the traditional 2 μm wavelength APDs, the Si-based APD is promising for its small excess noise factor, less stringent demand on temperature stability, and its compatibility with silicon technology.

  19. Analytical modeling of the resolution of photorefractive multiple quantum well spatial light modulators

    NASA Astrophysics Data System (ADS)

    Abeeluck, A. K.; Garmire, E.; Canoglu, E.

    2000-11-01

    An analytical model that includes lateral drift of photocarriers is developed to explain the experimental resolution of photorefractive multiple quantum well (MQW) devices. The model is in excellent agreement with a phenomenological fit proposed earlier and it follows a small intensity modulation model closely. Charge distributions with and without lateral drift of carriers at the MQW interfaces are assumed in order to calculate the peak diffraction efficiency as a function of grating period. An effective mobility-lifetime product is used to account for the effect of lateral drift in the MQW region. It is shown that good agreement with experiment is obtained when lateral drift is taken into account. Moreover, the model is applied to the study of design tradeoff between resolution, sensitivity, and diffraction efficiency which are all of crucial importance in the performance of practical devices.

  20. Order dependence of the profile of the intensities of multiple-quantum coherences

    SciTech Connect

    Lundin, A. A.; Zobov, V. E.

    2015-05-15

    A modification of the widespread phenomenological model theory of multiple-quantum (MQ) nuclear magnetic resonance spectra of a single cluster of correlated spins has been developed. In contrast to the mentioned theory, the size distribution of such clusters has been consistently taken into account. To obtain the distribution, solutions for the amplitudes of the expansion in the complete set of orthogonal operators are used. Expressions specifying the dependence of the profile of the intensities of MQ coherences on their number n (order) have been obtained. The total form of the dependence has been evaluated by means of the numerical implementation of the resulting expressions. The asymptotic expressions for large n values (wings of the spectrum) have been obtained analytically by the saddle-point method. It has been shown that the dependence under study has a Gaussian central part and exponential wings. The results obtained are in agreement with the previous calculations for some model systems and existing experimental data.

  1. Passively mode-locked picosecond erbium-doped fiber lasers using multiple quantum well saturable absorbers

    NASA Astrophysics Data System (ADS)

    Hayduk, Michael J.; Krol, Mark F.; Pollock, Clifford R.; Teegarden, Kenneth J.; Wicks, Gary W.; Kaechele, Walter

    1998-07-01

    An experimental study of the mode-locking process in erbium- doped fiber lasers (EDFLs) operating at 1.55 micrometer using multiple quantum well saturable absorbers is described. The self-starting passively mode-locked laser was constructed in a Fabry-Perot configuration using the saturable absorber as the back reflector of the cavity. Picosecond pulses that ranged from 3.1 to 38.8 ps were generated using a series of saturable absorbers. The pulse widths were dependent upon the optical properties of the saturable absorber used as the mode- locking element as well as the dispersive elements contained within the cavity. The output power of the EDFL varied from 0.2 to 6.7 mW and was also dependent upon the saturable absorber used in the cavity.

  2. Characterization of strained-layer and asymmetrically coupled multiple-quantum-well electro-optic modulators

    NASA Astrophysics Data System (ADS)

    Hayduk, Michael J.; Boncek, Raymond K.; Johns, Steven T.; Norton, Douglas A.; Krol, Mark F.; McGinnis, Brian P.; Ten, Sergey Y.; Gibbs, Hyatt M.; Khitrova, Galina; Peyghambarian, Nasser; Sun, Docai C.; Towe, Elias; Leavitt, Richard P.; Pham, John T.

    1994-06-01

    Multiple quantum well (MQW) electro-optic modulators grown on both GaAs and InP substrates have been designed and characterized. Strained-layer (In,Ga)As/GaAs p-i-n diodes grown on (100) GaAs substrates were found to have a differential absorption coefficient of 3.7 X 103 cm-1 for an applied electric field of 6.6 X 104 V/cm. These devices were also grown on (110) GaAs substrates and exhibited polarization sensitive electroabsorption. In addition, InGaAs/InAlAs asymmetric coupled MQWs were designed and fabricated. Real charge transfer kinetics between the coupled MQWs were exhibited by these devices.

  3. Dynamics of quantum Fisher information in a two-level system coupled to multiple bosonic reservoirs

    NASA Astrophysics Data System (ADS)

    Wang, Guo-You; Guo, You-Neng; Zeng, Ke

    2015-11-01

    We consider the optimal parameter estimation for a two-level system coupled to multiple bosonic reservoirs. By using quantum Fisher information (QFI), we investigate the effect of the Markovian reservoirs’ number N on QFI in both weak and strong coupling regimes for a two-level system surrounded by N zero-temperature reservoirs of field modes initially in the vacua. The results show that the dynamics of QFI non-monotonically decays to zero with revival oscillations at some time in the weak coupling regime depending on the reservoirs’ parameters. Furthermore, we also present the relations between the QFI flow, the flows of energy and information, and the sign of the decay rate to gain insight into the physical processes characterizing the dynamics. Project supported by the Hunan Provincial Innovation Foundation for Postgraduate, China (Grant No. CX2014B194) and the Scientific Research Foundation of Hunan Provincial Education Department, China (Grant No. 13C039).

  4. Strain-balanced InGaN/GaN multiple quantum wells

    SciTech Connect

    Van Den Broeck, D. M.; Hosalli, A. M.; Bedair, S. M.; Bharrat, D.; El-Masry, N. A.

    2014-07-21

    InGaN/GaN multiple quantum well (MQW) structures suffer from a high amount of compressive strain in the InGaN wells and the accompanied piezoelectric field resulting in both a blue shift in emission and a reduction of emission intensity. We report the growth of In{sub x}Ga{sub 1−x}N/GaN “strain-balanced” multiple quantum wells (SBMQWs) grown on thick In{sub y}Ga{sub 1−y}N templates for x > y by metal organic chemical vapor deposition. SBMQWs consist of alternating layers of In{sub x}Ga{sub 1−x}N wells and GaN barriers under compressive and tensile stress, respectively, which have been lattice matched to a thick In{sub y}Ga{sub 1−y}N template. Growth of the In{sub y}Ga{sub 1−y}N template is also detailed in order to achieve thick, relaxed In{sub y}Ga{sub 1−y}N grown on GaN without the presence of V-grooves. When compared to conventional In{sub x}Ga{sub 1−x}N/GaN MQWs grown on GaN, the SBMQW structures exhibit longer wavelength emission and higher emission intensity for the same InN mole fraction due to a reduction in the well strain and piezoelectric field. By matching the average lattice constant of the MQW active region to the lattice constant of the In{sub y}Ga{sub 1−y}N template, essentially an infinite number of periods can be grown using the SBMQW growth method without relaxation-related effects. SBMQWs can be utilized to achieve longer wavelength emission in light emitting diodes without the use of excess indium and can be advantageous in addressing the “green gap.”.

  5. Roles of V-shaped pits on the improvement of quantum efficiency in InGaN/GaN multiple quantum well light-emitting diodes

    SciTech Connect

    Quan, Zhijue Wang, Li Zheng, Changda; Liu, Junlin; Jiang, Fengyi

    2014-11-14

    The roles of V-shaped pits on the improvement of quantum efficiency in InGaN/GaN multiple quantum well (MQW) light-emitting diodes are investigated by numerical simulation. The simulation results show that V-shaped pits cannot only screen dislocations, but also play an important role on promoting hole injection into the MQWs. It is revealed that the injection of holes into the MQW via the sidewalls of the V-shaped pits is easier than via the flat region, due to the lower polarization charge densities in the sidewall structure with lower In concentration and (10–11)-oriented semi-polar facets.

  6. Improved characteristics of ultraviolet AlGaN multiple-quantum-well laser diodes with step-graded quantum barriers close to waveguide layers

    NASA Astrophysics Data System (ADS)

    Cai, Xuefen; Li, Shuping; Kang, Junyong

    2016-09-01

    Ultraviolet AlGaN multiple-quantum-well laser diodes (LDs) with step-graded quantum barriers (QBs) instead of conventional first and last QBs close to waveguide layers are proposed. The characteristics of this type of laser diodes are numerically investigated by using the software PICS3D and it is found that the performances of these LDs are greatly improved. The results indicates that the structure with step-graded QBs exhibits higher output light power, slope efficiency and emission intensity, as well as lower series resistance and threshold current density under the identical condition, compared with conventional LD structure.

  7. Iii-V Compound Multiple Quantum Well Based Modulator and Switching Devices.

    NASA Astrophysics Data System (ADS)

    Hong, Songcheol

    A general formalism to study the absorption and photocurrent in multiple quantum well is provided with detailed consideration of quantum confined Stark shift, exciton binding energy, line broadening, tunneling, polarization, and strain effects. Results on variation of exciton size, binding energies and transition energies as a function electric field and well size have been presented. Inhomogeneous line broadening of exciton lines due to interface roughness, alloy disorder and well to well size fluctuation is calculated. The potential of material tailoring by introducing strain for specific optical response is discussed. Theoretical and experimental results on excitonic and band-to-band absorption spectra in strained multi-quantum well structures are shown. I also report on polarization dependent optical absorption for excitonic and interband transitions in lattice matched and strained multiquantum well structures in presence of transverse electric field. Photocurrent in a p-i(MQW)-n diode with monochromatic light is examined with respect to different temperatures and intensities. The negative resistance of I-V characteristic of the p-i-n diode is based on the quantum confined Stark effect of the heavy hole excitonic transition in a multiquantum well. This exciton based photocurrent characteristic allows efficient switching. A general purpose low power optical logic device using the controller-modulator concept bas been proposed and realized. The controller is a heterojunction phototransistor with multiquantum wells in the base-collector depletion region. This allows an amplified photocurrent controlled voltage feedback with low light intensity levels. Detailed analysis of the sensitivity of this device in various modes of operation is studied. Studies are also presented on the cascadability of the device as well as its integrating -thresholding properties. A multiquantum well heterojunction bipolar transistor (MHBT), which has N^+ -p^+-i(MQW)-N structure has been

  8. Optical Properties of GaN Nanorods Containing a Single or Multiple InGaN Quantum Wells

    NASA Astrophysics Data System (ADS)

    Zhuang, Yi D.; Lis, Szymon; Bruckbauer, Jochen; O'Kane, Simon E. J.; Shields, Philip A.; Edwards, Paul R.; Sarma, Jayanta; Martin, Robert W.; Allsopp, Duncan W. E.

    2013-08-01

    Measurements of light emission from GaN nanorods of diameter between 80 and 350 nm, containing either a three-well multiple InGaN quantum well or a single quantum well, have been performed by photoluminescence (PL) and cathodoluminescence (CL) hyperspectral imaging. The PL underwent a Stark shift to the blue as the nanorod diameter was reduced, indicating substantial relaxation of the compressive strain in the quantum wells. The intensity of the nanorod emission per unit area can exceed that of the planar starting material. The CL measurements revealed that the wavelength of the quantum well emission varied with radial position in the nanorod. Simulations by a modal expansion method revealed that the light extraction efficiency varies with radial position and the variation is dependent on nanorod diameter. Finite difference time domain simulations showed that Bloch mode formation in the buffer layer below the nanorods impacts on the light extraction.

  9. Use of external cavity quantum cascade laser compliance voltage in real-time trace gas sensing of multiple chemicals

    SciTech Connect

    Phillips, Mark C.; Taubman, Matthew S.; Kriesel, Jason M.

    2015-02-08

    We describe a prototype trace gas sensor designed for real-time detection of multiple chemicals. The sensor uses an external cavity quantum cascade laser (ECQCL) swept over its tuning range of 940-1075 cm-1 (9.30-10.7 µm) at a 10 Hz repetition rate.

  10. Probing Structure Property Relationships in Complex Engineering Silicones by 1H NMR

    SciTech Connect

    Chinn, S C; Gjersing, E L; Maxwell, R S; Eastwood, E; Bowen, D; Stephens, T

    2006-07-14

    It is generally accepted that the properties of polymeric materials are controlled by the network structure and the reactions by which they have been constructed. These properties include the bulk moduli at creation, but also the properties as a function of age during use. In order to interpret mechanical properties and predict the time dependent changes in these properties, detailed knowledge of the effect of structural changes must be obtained. The degree and type of crosslinking, the molecular weight between crosslinks, the number of elastically ineffective chains (loops, dangling chain ends, sol-fraction) must be characterized. A number of theoretical and experimental efforts have been reported in the last few years on model networks prepared by endlinking reactions and the relationships of those structures with the ultimate mechanical properties. A range of experimental methods have been used to investigate structure including rheometric, scattering, infrared, {sup 29}Si MAS and CPMAS, {sup 1}H relaxation measurements, and recently {sup 1}H multiple quantum methods. Characterization of the growth of multiple quantum coherences have recently been shown to provide detailed insight into silicone network structure by the ability to selective probe the individual components of the polymer network, such as the polymer-filler interface or network chains. We have employed recently developed MQ methods to investigate the structure-property relationships in a series of complex, endlinked filled-PDMS blends. Here, a systematic study of the relationship between the molecular formulation, as dictated by the amount and type of crosslinks present and by the remaining network chains, and the segmental dynamics as observed by MQ NMR was performed.