Experimental Study of the Exciton Gas-Liquid Transition in Coupled Quantum Wells

NASA Astrophysics Data System (ADS)

Misra, Subhradeep; Stern, Michael; Joshua, Arjun; Umansky, Vladimir; Bar-Joseph, Israel

2018-01-01

We study the exciton gas-liquid transition in GaAs /AlGaAs coupled quantum wells. Below a critical temperature, TC=4.8 K , and above a threshold laser power density the system undergoes a phase transition into a liquid state. We determine the density-temperature phase diagram over the temperature range 0.1-4.8 K. We find that the latent heat increases linearly with temperature at T ≲1.1 K , similarly to a Bose-Einstein condensate transition, and becomes constant at 1.1 ≲T <4.8 K . Resonant Rayleigh scattering measurements reveal that the disorder in the sample is strongly suppressed and the diffusion coefficient sharply increases with decreasing temperature at T

Fluid-sensitive nanoscale switching with quantum levitation controlled by α -Sn/β -Sn phase transition

NASA Astrophysics Data System (ADS)

Boström, Mathias; Dou, Maofeng; Malyi, Oleksandr I.; Parashar, Prachi; Parsons, Drew F.; Brevik, Iver; Persson, Clas

2018-03-01

We analyze the Lifshitz pressure between silica and tin separated by a liquid mixture of bromobenzene and chlorobenzene. We show that the phase transition from semimetallic α -Sn to metallic β -Sn can switch Lifshitz forces from repulsive to attractive. This effect is caused by the difference in dielectric functions of α -Sn and β -Sn , giving both attractive and repulsive contributions to the total Lifshitz pressure in different frequency regions controlled by the composition of the intervening liquid mixture. In this way, one may be able to produce phase-transition-controlled quantum levitation in a liquid medium.

The quantum phase-transitions of water

NASA Astrophysics Data System (ADS)

Fillaux, François

2017-08-01

It is shown that hexagonal ices and steam are macroscopically quantum condensates, with continuous spacetime-translation symmetry, whereas liquid water is a quantum fluid with broken time-translation symmetry. Fusion and vaporization are quantum phase-transitions. The heat capacities, the latent heats, the phase-transition temperatures, the critical temperature, the molar volume expansion of ice relative to water, as well as neutron scattering data and dielectric measurements are explained. The phase-transition mechanisms along with the key role of quantum interferences and that of Hartley-Shannon's entropy are enlightened. The notions of chemical bond and force-field are questioned.

Ground-state phase diagram of an anisotropic spin-1/2 model on the triangular lattice

NASA Astrophysics Data System (ADS)

Luo, Qiang; Hu, Shijie; Xi, Bin; Zhao, Jize; Wang, Xiaoqun

2017-04-01

Motivated by a recent experiment on the rare-earth material YbMgGaO4 [Y. Li et al., Phys. Rev. Lett. 115, 167203 (2015), 10.1103/PhysRevLett.115.167203], which found that the ground state of YbMgGaO4 is a quantum spin liquid, we study the ground-state phase diagram of an anisotropic spin-1 /2 model that was proposed to describe YbMgGaO4. Using the density matrix renormalization-group method in combination with the exact-diagonalization method, we calculate a variety of physical quantities, including the ground-state energy, the fidelity, the entanglement entropy and spin-spin correlation functions. Our studies show that in the quantum phase diagram, there is a 120∘ phase and two distinct stripe phases. The transitions from the two stripe phases to the 120∘ phase are of the first order. However, the transition between the two stripe phases is not of the first order, which is different from its classical counterpart. Additionally, we find no evidence for a quantum spin liquid in this model. Our results suggest that additional terms may also be important to model the material YbMgGaO4. These findings will stimulate further experimental and theoretical works in understanding the quantum spin-liquid ground state in YbMgGaO4.

Gapless Spin Excitations in the Field-Induced Quantum Spin Liquid Phase of α -RuCl3

NASA Astrophysics Data System (ADS)

Zheng, Jiacheng; Ran, Kejing; Li, Tianrun; Wang, Jinghui; Wang, Pengshuai; Liu, Bin; Liu, Zheng-Xin; Normand, B.; Wen, Jinsheng; Yu, Weiqiang

2017-12-01

α -RuCl3 is a leading candidate material for the observation of physics related to the Kitaev quantum spin liquid (QSL). By combined susceptibility, specific-heat, and nuclear-magnetic-resonance measurements, we demonstrate that α -RuCl3 undergoes a quantum phase transition to a QSL in a magnetic field of 7.5 T applied in the a b plane. We show further that this high-field QSL phase has gapless spin excitations over a field range up to 16 T. This highly unconventional result, unknown in either Heisenberg or Kitaev magnets, offers insight essential to establishing the physics of α -RuCl3 .

Tunable Quantum Spin Liquidity in the 1 /6 th-Filled Breathing Kagome Lattice

NASA Astrophysics Data System (ADS)

Akbari-Sharbaf, A.; Sinclair, R.; Verrier, A.; Ziat, D.; Zhou, H. D.; Sun, X. F.; Quilliam, J. A.

2018-06-01

We present measurements on a series of materials, Li2 In1 -xScx Mo3 O8 , that can be described as a 1 /6 th-filled breathing kagome lattice. Substituting Sc for In generates chemical pressure which alters the breathing parameter nonmonotonically. Muon spin rotation experiments show that this chemical pressure tunes the system from antiferromagnetic long range order to a quantum spin liquid phase. A strong correlation with the breathing parameter implies that it is the dominant parameter controlling the level of magnetic frustration, with increased kagome symmetry generating the quantum spin liquid phase. Magnetic susceptibility measurements suggest that this is related to distinct types of charge order induced by changes in lattice symmetry, in line with the theory of Chen et al. [Phys. Rev. B 93, 245134 (2016), 10.1103/PhysRevB.93.245134]. The specific heat for samples at intermediate Sc concentration, which have the minimum breathing parameter, show consistency with the predicted U (1 ) quantum spin liquid.

Quantum spin liquid signatures in Kitaev-like frustrated magnets

NASA Astrophysics Data System (ADS)

Gohlke, Matthias; Wachtel, Gideon; Yamaji, Youhei; Pollmann, Frank; Kim, Yong Baek

2018-02-01

Motivated by recent experiments on α -RuCl3 , we investigate a possible quantum spin liquid ground state of the honeycomb-lattice spin model with bond-dependent interactions. We consider the K -Γ model, where K and Γ represent the Kitaev and symmetric-anisotropic interactions between spin-1/2 moments on the honeycomb lattice. Using the infinite density matrix renormalization group, we provide compelling evidence for the existence of quantum spin liquid phases in an extended region of the phase diagram. In particular, we use transfer-matrix spectra to show the evolution of two-particle excitations with well-defined two-dimensional dispersion, which is a strong signature of a quantum spin liquid. These results are compared with predictions from Majorana mean-field theory and used to infer the quasiparticle excitation spectra. Further, we compute the dynamical structure factor using finite-size cluster computations and show that the results resemble the scattering continuum seen in neutron-scattering experiments on α -RuCl3 . We discuss these results in light of recent and future experiments.

Emergent phases of fractonic matter

NASA Astrophysics Data System (ADS)

Prem, Abhinav; Pretko, Michael; Nandkishore, Rahul M.

2018-02-01

Fractons are emergent particles which are immobile in isolation, but which can move together in dipolar pairs or other small clusters. These exotic excitations naturally occur in certain quantum phases of matter described by tensor gauge theories. Previous research has focused on the properties of small numbers of fractons and their interactions, effectively mapping out the "standard model" of fractons. In the present work, however, we consider systems with a finite density of either fractons or their dipolar bound states, with a focus on the U (1 ) fracton models. We study some of the phases in which emergent fractonic matter can exist, thereby initiating the study of the "condensed matter" of fractons. We begin by considering a system with a finite density of fractons, which we show can exhibit microemulsion physics, in which fractons form small-scale clusters emulsed in a phase dominated by long-range repulsion. We then move on to study systems with a finite density of mobile dipoles, which have phases analogous to many conventional condensed matter phases. We focus on two major examples: Fermi liquids and quantum Hall phases. A finite density of fermionic dipoles will form a Fermi surface and enter a Fermi liquid phase. Interestingly, this dipolar Fermi liquid exhibits a finite-temperature phase transition, corresponding to an unbinding transition of fractons. Finally, we study chiral two-dimensional phases corresponding to dipoles in "quantum Hall" states of their emergent magnetic field. We study numerous aspects of these generalized quantum Hall systems, such as their edge theories and ground state degeneracies.

Symmetric Topological Phases and Tensor Network States

NASA Astrophysics Data System (ADS)

Jiang, Shenghan

Classification and simulation of quantum phases are one of main themes in condensed matter physics. Quantum phases can be distinguished by their symmetrical and topological properties. The interplay between symmetry and topology in condensed matter physics often leads to exotic quantum phases and rich phase diagrams. Famous examples include quantum Hall phases, spin liquids and topological insulators. In this thesis, I present our works toward a more systematically understanding of symmetric topological quantum phases in bosonic systems. In the absence of global symmetries, gapped quantum phases are characterized by topological orders. Topological orders in 2+1D are well studied, while a systematically understanding of topological orders in 3+1D is still lacking. By studying a family of exact solvable models, we find at least some topological orders in 3+1D can be distinguished by braiding phases of loop excitations. In the presence of both global symmetries and topological orders, the interplay between them leads to new phases termed as symmetry enriched topological (SET) phases. We develop a framework to classify a large class of SET phases using tensor networks. For each tensor class, we can write down generic variational wavefunctions. We apply our method to study gapped spin liquids on the kagome lattice, which can be viewed as SET phases of on-site symmetries as well as lattice symmetries. In the absence of topological order, symmetry could protect different topological phases, which are often referred to as symmetry protected topological (SPT) phases. We present systematic constructions of tensor network wavefunctions for bosonic symmetry protected topological (SPT) phases respecting both onsite and spatial symmetries.

Melting of Boltzmann particles in different 2D trapping potential

NASA Astrophysics Data System (ADS)

Bhattacharya, Dyuti; Filinov, Alexei; Ghosal, Amit; Bonitz, Michael

2015-03-01

We analyze the quantum melting of two dimensional Wigner solid in several confined geometries and compare them with corresponding thermal melting in a purely classical system. Our results show that the geometry play little role in deciding the crossover quantum parameter nX, as the effects from boundary is well screened by the quantum zero point motion. The unique phase diagram in the plane of thermal and quantum fluctuations determined from independent melting criteria separates out the Wigner molecule ``phase'' from the classical and quantum ``liquids''. An intriguing signature of weakening liquidity with increasing temperature T have been found in the extreme quantum regime (n). This crossover is associated with production of defects, just like in case of thermal melting, though the role of them in determining the mechanism of the crossover appears different. Our study will help comprehending melting in a variety of experimental realization of confined system - from quantum dots to complex plasma.

Optical simulation of quantum algorithms using programmable liquid-crystal displays

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

Puentes, Graciana; La Mela, Cecilia; Ledesma, Silvia

2004-04-01

We present a scheme to perform an all optical simulation of quantum algorithms and maps. The main components are lenses to efficiently implement the Fourier transform and programmable liquid-crystal displays to introduce space dependent phase changes on a classical optical beam. We show how to simulate Deutsch-Jozsa and Grover's quantum algorithms using essentially the same optical array programmed in two different ways.

Quantum dots grown in the InSb/GaSb system by liquid-phase epitaxy

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

Parkhomenko, Ya. A.; Dement’ev, P. A.; Moiseev, K. D., E-mail: mkd@iropt2.ioffe.rssi.ru

2016-07-15

The first results of the liquid-phase epitaxial growth of quantum dots in the InSb/GaSb system and atomic-force microscopy data on the structural characteristics of the quantum dots are reported. It is shown that the surface density, shape, and size of nanoislands depend on the deposition temperature and the chemical properties of the matrix surface. Arrays of InSb quantum dots on GaSb (001) substrates are produced in the temperature range T = 450–465°C. The average dimensions of the quantum dots correspond to a height of h = 3 nm and a base dimension of D = 30 nm; the surface densitymore » is 3 × 10{sup 9} cm{sup –2}.« less

Fractionalized Fermi liquids and exotic superconductivity in the Kitaev-Kondo lattice

NASA Astrophysics Data System (ADS)

Seifert, Urban F. P.; Meng, Tobias; Vojta, Matthias

2018-02-01

Fractionalized Fermi liquids (FL*) have been introduced as non-Fermi-liquid metallic phases, characterized by coexisting electron-like charge carriers and local moments which form a fractionalized spin liquid. Here we investigate a Kondo lattice model on the honeycomb lattice with Kitaev interactions among the local moments, a concrete model hosting FL* phases based on Kitaev's Z2 spin liquid. We characterize the FL* phases via perturbation theory, and we employ a Majorana-fermion mean-field theory to map out the full phase diagram. Most remarkably we find nematic triplet superconducting phases which mask the quantum phase transition between fractionalized and conventional Fermi liquid phases. Their pairing structure is inherited from the Kitaev spin liquid; i.e., superconductivity is driven by Majorana glue.

Symmetry enriched U(1) quantum spin liquids

NASA Astrophysics Data System (ADS)

Zou, Liujun; Wang, Chong; Senthil, T.

2018-05-01

We classify and characterize three-dimensional U (1 ) quantum spin liquids [deconfined U (1 ) gauge theories] with global symmetries. These spin liquids have an emergent gapless photon and emergent electric/magnetic excitations (which we assume are gapped). We first discuss in great detail the case with time-reversal and SO(3 ) spin rotational symmetries. We find there are 15 distinct such quantum spin liquids based on the properties of bulk excitations. We show how to interpret them as gauged symmetry-protected topological states (SPTs). Some of these states possess fractional response to an external SO (3 ) gauge field, due to which we dub them "fractional topological paramagnets." We identify 11 other anomalous states that can be grouped into three anomaly classes. The classification is further refined by weakly coupling these quantum spin liquids to bosonic symmetry protected topological (SPT) phases with the same symmetry. This refinement does not modify the bulk excitation structure but modifies universal surface properties. Taking this refinement into account, we find there are 168 distinct such U (1 ) quantum spin liquids. After this warm-up, we provide a general framework to classify symmetry enriched U (1 ) quantum spin liquids for a large class of symmetries. As a more complex example, we discuss U (1 ) quantum spin liquids with time-reversal and Z2 symmetries in detail. Based on the properties of the bulk excitations, we find there are 38 distinct such spin liquids that are anomaly-free. There are also 37 anomalous U (1 ) quantum spin liquids with this symmetry. Finally, we briefly discuss the classification of U (1 ) quantum spin liquids enriched by some other symmetries.

An adaptive quantum mechanics/molecular mechanics method for the infrared spectrum of water: incorporation of the quantum effect between solute and solvent.

PubMed

Watanabe, Hiroshi C; Banno, Misa; Sakurai, Minoru

2016-03-14

Quantum effects in solute-solvent interactions, such as the many-body effect and the dipole-induced dipole, are known to be critical factors influencing the infrared spectra of species in the liquid phase. For accurate spectrum evaluation, the surrounding solvent molecules, in addition to the solute of interest, should be treated using a quantum mechanical method. However, conventional quantum mechanics/molecular mechanics (QM/MM) methods cannot handle free QM solvent molecules during molecular dynamics (MD) simulation because of the diffusion problem. To deal with this problem, we have previously proposed an adaptive QM/MM "size-consistent multipartitioning (SCMP) method". In the present study, as the first application of the SCMP method, we demonstrate the reproduction of the infrared spectrum of liquid-phase water, and evaluate the quantum effect in comparison with conventional QM/MM simulations.

Chiral liquid phase of simple quantum magnets

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

Wang, Zhentao; Feiguin, Adrian E.; Zhu, Wei

2017-11-07

We study a T=0 quantum phase transition between a quantum paramagnetic state and a magnetically ordered state for a spin S=1 XXZ Heisenberg antiferromagnet on a two-dimensional triangular lattice. The transition is induced by an easy-plane single-ion anisotropy D. At the mean-field level, the system undergoes a direct transition at a critical D=D c between a paramagnetic state at D>D c and an ordered state with broken U(1) symmetry at Dc. We show that beyond mean field the phase diagram is very different and includes an intermediate, partially ordered chiral liquid phase. Specifically, we find that inside the paramagnetic phasemore » the Ising (J z) component of the Heisenberg exchange binds magnons into a two-particle bound state with zero total momentum and spin. This bound state condenses at D>D c, before single-particle excitations become unstable, and gives rise to a chiral liquid phase, which spontaneously breaks spatial inversion symmetry, but leaves the spin-rotational U(1) and time-reversal symmetries intact. This chiral liquid phase is characterized by a finite vector chirality without long-range dipolar magnetic order. In our analytical treatment, the chiral phase appears for arbitrarily small J z because the magnon-magnon attraction becomes singular near the single-magnon condensation transition. This phase exists in a finite range of D and transforms into the magnetically ordered state at some Dc. In conclusion, we corroborate our analytic treatment with numerical density matrix renormalization group calculations.« less

Microwave spectroscopic observation of distinct electron solid phases in wide quantum wells

NASA Astrophysics Data System (ADS)

Hatke, A. T.; Liu, Yang; Magill, B. A.; Moon, B. H.; Engel, L. W.; Shayegan, M.; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.

2014-06-01

In high magnetic fields, two-dimensional electron systems can form a number of phases in which interelectron repulsion plays the central role, since the kinetic energy is frozen out by Landau quantization. These phases include the well-known liquids of the fractional quantum Hall effect, as well as solid phases with broken spatial symmetry and crystalline order. Solids can occur at the low Landau-filling termination of the fractional quantum Hall effect series but also within integer quantum Hall effects. Here we present microwave spectroscopy studies of wide quantum wells that clearly reveal two distinct solid phases, hidden within what in d.c. transport would be the zero diagonal conductivity of an integer quantum-Hall-effect state. Explanation of these solids is not possible with the simple picture of a Wigner solid of ordinary (quasi) electrons or holes.

Quantum Entanglement as a Diagnostic of Phase Transitions in Disordered Fractional Quantum Hall Liquids.

PubMed

Liu, Zhao; Bhatt, R N

2016-11-11

We investigate the disorder-driven phase transition from a fractional quantum Hall state to an Anderson insulator using quantum entanglement methods. We find that the transition is signaled by a sharp increase in the sensitivity of a suitably averaged entanglement entropy with respect to disorder-the magnitude of its disorder derivative appears to diverge in the thermodynamic limit. We also study the level statistics of the entanglement spectrum as a function of disorder. However, unlike the dramatic phase-transition signal in the entanglement entropy derivative, we find a gradual reduction of level repulsion only deep in the Anderson insulating phase.

Dual gauge field theory of quantum liquid crystals in three dimensions

NASA Astrophysics Data System (ADS)

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; Zaanen, Jan

2017-10-01

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emerge whenever translational symmetry is restored. We also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

Absence of Long-Range Order in a Triangular Spin System with Dipolar Interactions

NASA Astrophysics Data System (ADS)

Keleş, Ahmet; Zhao, Erhai

2018-05-01

The antiferromagnetic Heisenberg model on the triangular lattice is perhaps the best known example of frustrated magnets, but it orders at low temperatures. Recent density matrix renormalization group (DMRG) calculations find that the next nearest neighbor interaction J2 enhances the frustration, and it leads to a spin liquid for J2/J1∈(0.08 ,0.15 ). In addition, a DMRG study of a dipolar Heisenberg model with longer range interactions gives evidence for a spin liquid at a small dipole tilting angle θ ∈[0 ,1 0 ° ). In both cases, the putative spin liquid region appears to be small. Here, we show that for the triangular lattice dipolar Heisenberg model, a robust quantum paramagnetic phase exists in a surprisingly wide region, θ ∈[0 ,5 4 ° ) , for dipoles tilted along the lattice diagonal direction. We obtain the phase diagram of the model by functional renormalization group (RG), which treats all magnetic instabilities on equal footing. The quantum paramagnetic phase is characterized by a smooth continuous flow of vertex functions and spin susceptibility down to the lowest RG scale, in contrast to the apparent breakdown of RG flow in phases with stripe or spiral order. Our finding points to a promising direction to search for quantum spin liquids in ultracold dipolar molecules.

Tunable UV-visible absorption of SnS2 layered quantum dots produced by liquid phase exfoliation.

PubMed

Fu, Xiao; Ilanchezhiyan, P; Mohan Kumar, G; Cho, Hak Dong; Zhang, Lei; Chan, A Sattar; Lee, Dong J; Panin, Gennady N; Kang, Tae Won

2017-02-02

4H-SnS 2 layered crystals synthesized by a hydrothermal method were used to obtain via liquid phase exfoliation quantum dots (QDs), consisting of a single layer (SLQDs) or multiple layers (MLQDs). Systematic downshift of the peaks in the Raman spectra of crystals with a decrease in size was observed. The bandgap of layered QDs, estimated by UV-visible absorption spectroscopy and the tunneling current measurements using graphene probes, increases from 2.25 eV to 3.50 eV with decreasing size. 2-4 nm SLQDs, which are transparent in the visible region, show selective absorption and photosensitivity at wavelengths in the ultraviolet region of the spectrum while larger MLQDs (5-90 nm) exhibit a broad band absorption in the visible spectral region and the photoresponse under white light. The results show that the layered quantum dots obtained by liquid phase exfoliation exhibit well-controlled and regulated bandgap absorption in a wide tunable wavelength range. These novel layered quantum dots prepared using an inexpensive method of exfoliation and deposition from solution onto various substrates at room temperature can be used to create highly efficient visible-blind ultraviolet photodetectors and multiple bandgap solar cells.

Oliver E. Buckley Condensed Matter Prize: Quantum-topological phases of matter

NASA Astrophysics Data System (ADS)

Wen, Xiao-Gang

For a long time, we thought that symmetry breaking patterns describe all phases and phase transitions. The featureless disordered liquids correspond to trivial phase. But in fact disordered liquids have very rich features, with amazing emergent phenomena, such as fractional quantum numbers, fractional and non-abelian statistics, perfect conducting boundary even in presence of magnetic impurities, etc. All those are due to many-body entanglement. In this talk, I will first discuss topological phases that have topological order (ie with long range entanglement). Then I will cover topological phases that have no topological order (ie with only short-range entanglement). I will stress on how to understand and describe many-body entanglement, which is a very new phenomenon. This research is supported by NSF Grant No. DMR-1506475.

Theory of the spin-1 bosonic liquid metal - Equilibrium properties of liquid metallic deuterium

NASA Technical Reports Server (NTRS)

Oliva, J.; Ashcroft, N. W.

1984-01-01

The theory of a two-component quantum fluid comprised of spin-1/2 fermions and nonzero spin bosons is examined. This system is of interest because it embodies a possible quantum liquid metallic phase of highly compressed deuterium. Bose condensation is assumed present and the two cases of nuclear-spin-polarized and -unpolarized systems are considered. A significant feature in the unpolarized case is the presence of a nonmagnetic mode with quadratic dispersion owing its existence to nonzero boson spin. The physical character of this mode is examined in detail within a Bogoliubov approach. The specific heat, bulk modulus, spin susceptibility, and thermal expansion are all determined. Striking contrasts in the specific heats and thermal-expansion coefficients of the liquid and corresponding normal solid metallic phase are predicted.

Exotic Quantum Phases and Phase Transitions of Strongly Interacting Electrons in Low-Dimensional Systems

NASA Astrophysics Data System (ADS)

Mishmash, Ryan V.

Experiments on strongly correlated quasi-two-dimensional electronic materials---for example, the high-temperature cuprate superconductors and the putative quantum spin liquids kappa-(BEDT-TTF)2Cu2(CN)3 and EtMe3Sb[Pd(dmit)2]2---routinely reveal highly mysterious quantum behavior which cannot be explained in terms of weakly interacting degrees of freedom. Theoretical progress thus requires the introduction of completely new concepts and machinery beyond the traditional framework of the band theory of solids and its interacting counterpart, Landau's Fermi liquid theory. In full two dimensions, controlled and reliable analytical approaches to such problems are severely lacking, as are numerical simulations of even the simplest of model Hamiltonians due to the infamous fermionic sign problem. Here, we attempt to circumvent some of these difficulties by studying analogous problems in quasi-one dimension. In this lower dimensional setting, theoretical and numerical tractability are on much stronger footing due to the methods of bosonization and the density matrix renormalization group, respectively. Using these techniques, we attack two problems: (1) the Mott transition between a Fermi liquid metal and a quantum spin liquid as potentially directly relevant to the organic compounds kappa-(BEDT-TTF)2Cu 2(CN)3 and EtMe3Sb[Pd(dmit)2] 2 and (2) non-Fermi liquid metals as strongly motivated by the strange metal phase observed in the cuprates. In both cases, we are able to realize highly exotic quantum phases as ground states of reasonable microscopic models. This lends strong credence to respective underlying slave-particle descriptions of the low-energy physics, which are inherently strongly interacting and also unconventional in comparison to weakly interacting alternatives. Finally, working in two dimensions directly, we propose a new slave-particle theory which explains in a universal way many of the intriguing experimental results of the triangular lattice organic spin liquid candidates kappa-(BEDT-TTF) 2Cu2(CN)3 and EtMe3Sb[Pd(dmit) 2]2. With use of large-scale variational Monte Carlo calculations, we show that this new state has very competitive trial energy in an effective spin model thought to describe the essential features of the real materials.

Role of quantum fluctuations on spin liquids and ordered phases in the Heisenberg model on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Merino, Jaime; Ralko, Arnaud

2018-05-01

Motivated by the rich physics of honeycomb magnetic materials, we obtain the phase diagram and analyze magnetic properties of the spin-1 /2 and spin-1 J1-J2-J3 Heisenberg model on the honeycomb lattice. Based on the SU(2) and SU(3) symmetry representations of the Schwinger boson approach, which treats disordered spin liquids and magnetically ordered phases on an equal footing, we obtain the complete phase diagrams in the (J2,J3) plane. This is achieved using a fully unrestricted approach which does not assume any pre-defined Ansätze. For S =1 /2 , we find a quantum spin liquid (QSL) stabilized between the Néel, spiral, and collinear antiferromagnetic phases in agreement with previous theoretical work. However, by increasing S from 1 /2 to 1, the QSL is quickly destroyed due to the weakening of quantum fluctuations indicating that the model already behaves as a quasiclassical system. The dynamical structure factors and temperature dependence of the magnetic susceptibility are obtained in order to characterize all phases in the phase diagrams. Moreover, motivated by the relevance of the single-ion anisotropy, D , to various S =1 honeycomb compounds, we have analyzed the destruction of magnetic order based on an SU(3) representation of the Schwinger bosons. Our analysis provides a unified understanding of the magnetic properties of honeycomb materials realizing the J1-J2-J3 Heisenberg model from the strong quantum spin regime at S =1 /2 to the S =1 case. Neutron scattering and magnetic susceptibility experiments can be used to test the destruction of the QSL phase when replacing S =1 /2 by S =1 localized moments in certain honeycomb compounds.

Quantum Hooke's Law to classify pulse laser induced ultrafast melting

DOE PAGES

Hu, Hao; Ding, Hepeng; Liu, Feng

2015-02-03

Ultrafast crystal-to-liquid phase transition induced by femtosecond pulse laser excitation is an interesting material's behavior manifesting the complexity of light-matter interaction. There exist two types of such phase transitions: one occurs at a time scale shorter than a picosecond via a nonthermal process mediated by electron-hole plasma formation; the other at a longer time scale via a thermal melting process mediated by electron-phonon interaction. However, it remains unclear what material would undergo which process and why? Here, by exploiting the property of quantum electronic stress (QES) governed by quantum Hooke's law, we classify the transitions by two distinct classes ofmore » materials: the faster nonthermal process can only occur in materials like ice having an anomalous phase diagram characterized with dT m/dP < 0, where T m is the melting temperature and P is pressure, above a high threshold laser fluence; while the slower thermal process may occur in all materials. Especially, the nonthermal transition is shown to be induced by the QES, acting like a negative internal pressure, which drives the crystal into a “super pressing” state to spontaneously transform into a higher-density liquid phase. Our findings significantly advance fundamental understanding of ultrafast crystal-to-liquid phase transitions, enabling quantitative a priori predictions.« less

Quantum Hooke's Law to Classify Pulse Laser Induced Ultrafast Melting

NASA Astrophysics Data System (ADS)

Hu, Hao; Ding, Hepeng; Liu, Feng

2015-02-01

Ultrafast crystal-to-liquid phase transition induced by femtosecond pulse laser excitation is an interesting material's behavior manifesting the complexity of light-matter interaction. There exist two types of such phase transitions: one occurs at a time scale shorter than a picosecond via a nonthermal process mediated by electron-hole plasma formation; the other at a longer time scale via a thermal melting process mediated by electron-phonon interaction. However, it remains unclear what material would undergo which process and why? Here, by exploiting the property of quantum electronic stress (QES) governed by quantum Hooke's law, we classify the transitions by two distinct classes of materials: the faster nonthermal process can only occur in materials like ice having an anomalous phase diagram characterized with dTm/dP < 0, where Tm is the melting temperature and P is pressure, above a high threshold laser fluence; while the slower thermal process may occur in all materials. Especially, the nonthermal transition is shown to be induced by the QES, acting like a negative internal pressure, which drives the crystal into a ``super pressing'' state to spontaneously transform into a higher-density liquid phase. Our findings significantly advance fundamental understanding of ultrafast crystal-to-liquid phase transitions, enabling quantitative a priori predictions.

Quantum Hooke's Law to Classify Pulse Laser Induced Ultrafast Melting

PubMed Central

Hu, Hao; Ding, Hepeng; Liu, Feng

2015-01-01

Ultrafast crystal-to-liquid phase transition induced by femtosecond pulse laser excitation is an interesting material's behavior manifesting the complexity of light-matter interaction. There exist two types of such phase transitions: one occurs at a time scale shorter than a picosecond via a nonthermal process mediated by electron-hole plasma formation; the other at a longer time scale via a thermal melting process mediated by electron-phonon interaction. However, it remains unclear what material would undergo which process and why? Here, by exploiting the property of quantum electronic stress (QES) governed by quantum Hooke's law, we classify the transitions by two distinct classes of materials: the faster nonthermal process can only occur in materials like ice having an anomalous phase diagram characterized with dTm/dP < 0, where Tm is the melting temperature and P is pressure, above a high threshold laser fluence; while the slower thermal process may occur in all materials. Especially, the nonthermal transition is shown to be induced by the QES, acting like a negative internal pressure, which drives the crystal into a “super pressing” state to spontaneously transform into a higher-density liquid phase. Our findings significantly advance fundamental understanding of ultrafast crystal-to-liquid phase transitions, enabling quantitative a priori predictions. PMID:25645258

Quantum Hooke's law to classify pulse laser induced ultrafast melting.

PubMed

Hu, Hao; Ding, Hepeng; Liu, Feng

2015-02-03

Ultrafast crystal-to-liquid phase transition induced by femtosecond pulse laser excitation is an interesting material's behavior manifesting the complexity of light-matter interaction. There exist two types of such phase transitions: one occurs at a time scale shorter than a picosecond via a nonthermal process mediated by electron-hole plasma formation; the other at a longer time scale via a thermal melting process mediated by electron-phonon interaction. However, it remains unclear what material would undergo which process and why? Here, by exploiting the property of quantum electronic stress (QES) governed by quantum Hooke's law, we classify the transitions by two distinct classes of materials: the faster nonthermal process can only occur in materials like ice having an anomalous phase diagram characterized with dTm/dP < 0, where Tm is the melting temperature and P is pressure, above a high threshold laser fluence; while the slower thermal process may occur in all materials. Especially, the nonthermal transition is shown to be induced by the QES, acting like a negative internal pressure, which drives the crystal into a "super pressing" state to spontaneously transform into a higher-density liquid phase. Our findings significantly advance fundamental understanding of ultrafast crystal-to-liquid phase transitions, enabling quantitative a priori predictions.

Dual gauge field theory of quantum liquid crystals in three dimensions

DOE PAGES

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; ...

2017-10-09

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emergemore » whenever translational symmetry is restored. Lastly, we also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.« less

Dual gauge field theory of quantum liquid crystals in three dimensions

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

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emergemore » whenever translational symmetry is restored. Lastly, we also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.« less

Selfbound quantum droplets

NASA Astrophysics Data System (ADS)

Langen, Tim; Wenzel, Matthias; Schmitt, Matthias; Boettcher, Fabian; Buehner, Carl; Ferrier-Barbut, Igor; Pfau, Tilman

2017-04-01

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report on the observation of such droplets using dysprosium atoms, with densities 108 times lower than a helium droplet, in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms.

Mermin-Wagner physics, (H ,T ) phase diagram, and candidate quantum spin-liquid phase in the spin-1/2 triangular-lattice antiferromagnet Ba8CoNb6O24

NASA Astrophysics Data System (ADS)

Cui, Y.; Dai, J.; Zhou, P.; Wang, P. S.; Li, T. R.; Song, W. H.; Wang, J. C.; Ma, L.; Zhang, Z.; Li, S. Y.; Luke, G. M.; Normand, B.; Xiang, T.; Yu, W.

2018-04-01

Ba8CoNb6O24 presents a system whose Co2 + ions have an effective spin 1/2 and construct a regular triangular-lattice antiferromagnet (TLAFM) with a very large interlayer spacing, ensuring purely two-dimensional character. We exploit this ideal realization to perform a detailed experimental analysis of the S =1 /2 TLAFM, which is one of the keystone models in frustrated quantum magnetism. We find strong low-energy spin fluctuations and no magnetic ordering, but a diverging correlation length down to 0.1 K, indicating a Mermin-Wagner trend toward zero-temperature order. Below 0.1 K, however, our low-field measurements show an unexpected magnetically disordered state, which is a candidate quantum spin liquid. We establish the (H ,T ) phase diagram, mapping in detail the quantum fluctuation corrections to the available theoretical analysis. These include a strong upshift in field of the maximum ordering temperature, qualitative changes to both low- and high-field phase boundaries, and an ordered regime apparently dominated by the collinear "up-up-down" state. Ba8CoNb6O24 , therefore, offers fresh input for the development of theoretical approaches to the field-induced quantum phase transitions of the S =1 /2 Heisenberg TLAFM.

Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization

NASA Astrophysics Data System (ADS)

Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken

How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.

Mechanism of a strange metal state near a heavy-fermion quantum critical point

NASA Astrophysics Data System (ADS)

Chang, Yung-Yeh; Paschen, Silke; Chung, Chung-Hou

2018-01-01

Unconventional metallic or strange metal (SM) behavior with non-Fermi liquid (NFL) properties, generic features of heavy-fermion systems near quantum phase transitions, are yet to be understood microscopically. A paradigmatic example is the magnetic field-tuned quantum critical heavy-fermion metal YbRh2Si2 , revealing a possible SM state over a finite range of fields at low temperatures when substituted with Ge. Above a critical field, the SM state gives way to a heavy Fermi liquid with Kondo correlation. The NFL behavior, most notably a linear-in-temperature electrical resistivity and a logarithmic-in-temperature followed by a power-law singularity in the specific heat coefficient at low temperatures, still lacks a definite understanding. We propose the following mechanism as origin of the experimentally observed behavior: a quasi-2 d fluctuating short-ranged resonating-valence-bond spin liquid competing with the Kondo correlation. Applying a field-theoretical renormalization group analysis on an effective field theory beyond a large-N approach to an antiferromagnetic Kondo-Heisenberg model, we identify the critical point and explain remarkably well the SM behavior. Our theory goes beyond the well-established framework of quantum phase transitions and serves as a basis to address open issues in quantum critical heavy-fermion systems.

Role of Precursor-Conversion Chemistry in the Crystal-Phase Control of Catalytically Grown Colloidal Semiconductor Quantum Wires.

PubMed

Wang, Fudong; Buhro, William E

2017-12-26

Crystal-phase control is one of the most challenging problems in nanowire growth. We demonstrate that, in the solution-phase catalyzed growth of colloidal cadmium telluride (CdTe) quantum wires (QWs), the crystal phase can be controlled by manipulating the reaction chemistry of the Cd precursors and tri-n-octylphosphine telluride (TOPTe) to favor the production of either a CdTe solute or Te, which consequently determines the composition and (liquid or solid) state of the Bi x Cd y Te z catalyst nanoparticles. Growth of single-phase (e.g., wurtzite) QWs is achieved only from solid catalysts (y ≪ z) that enable the solution-solid-solid growth of the QWs, whereas the liquid catalysts (y ≈ z) fulfill the solution-liquid-solid growth of the polytypic QWs. Factors that affect the precursor-conversion chemistry are systematically accounted for, which are correlated with a kinetic study of the composition and state of the catalyst nanoparticles to understand the mechanism. This work reveals the role of the precursor-reaction chemistry in the crystal-phase control of catalytically grown colloidal QWs, opening the possibility of growing phase-pure QWs of other compositions.

Entanglement entropy and fidelity susceptibility in the one-dimensional spin-1 XXZ chains with alternating single-site anisotropy.

PubMed

Ren, Jie; Liu, Guang-Hua; You, Wen-Long

2015-03-18

We study the fidelity susceptibility in an antiferromagnetic spin-1 XXZ chain numerically. By using the density-matrix renormalization group method, the effects of the alternating single-site anisotropy D on fidelity susceptibility are investigated. Its relation with the quantum phase transition is analyzed. It is found that the quantum phase transition from the Haldane spin liquid to periodic Néel spin solid can be well characterized by the fidelity. Finite size scaling of fidelity susceptibility shows a power-law divergence at criticality, which indicates the quantum phase transition is of second order. The results are confirmed by the second derivative of the ground-state energy. We also study the relationship between the entanglement entropy, the Schmidt gap and quantum phase transitions. Conclusions drawn from these quantum information observables agree well with each other.

Efimov-driven phase transitions of the unitary Bose gas.

PubMed

Piatecki, Swann; Krauth, Werner

2014-03-20

Initially predicted in nuclear physics, Efimov trimers are bound configurations of three quantum particles that fall apart when any one of them is removed. They open a window into a rich quantum world that has become the focus of intense experimental and theoretical research, as the region of 'unitary' interactions, where Efimov trimers form, is now accessible in cold-atom experiments. Here we use a path-integral Monte Carlo algorithm backed up by theoretical arguments to show that unitary bosons undergo a first-order phase transition from a normal gas to a superfluid Efimov liquid, bound by the same effects as Efimov trimers. A triple point separates these two phases and another superfluid phase, the conventional Bose-Einstein condensate, whose coexistence line with the Efimov liquid ends in a critical point. We discuss the prospects of observing the proposed phase transitions in cold-atom systems.

Numerical Study of Quantum Hall Bilayers at Total Filling νT=1 : A New Phase at Intermediate Layer Distances

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Fu, Liang; Sheng, D. N.

2017-10-01

We study the phase diagram of quantum Hall bilayer systems with total filing νT=1 /2 +1 /2 of the lowest Landau level as a function of layer distances d . Based on numerical exact diagonalization calculations, we obtain three distinct phases, including an exciton superfluid phase with spontaneous interlayer coherence at small d , a composite Fermi liquid at large d , and an intermediate phase for 1.1

Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach.

PubMed

Hyeon-Deuk, Kim; Ando, Koji

2014-05-07

Liquid para-hydrogen (p-H2) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H2. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H2 liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.

Analyzing the equilibrium states of a quasi-neutral spatially inhomogeneous system of charges above a liquid dielectric film based on the first principles of quantum statistics

NASA Astrophysics Data System (ADS)

Lytvynenko, D. M.; Slyusarenko, Yu V.

2017-08-01

A theory of quasi-neutral equilibrium states of charges above a liquid dielectric surface is developed. This theory is based on the first principles of quantum statistics for systems comprising many identical particles. The proposed approach involves applying the variational principle, modified for the considered systems, and the Thomas-Fermi model. In the terms of the developed theory self-consistency equations are obtained. These equations provide the relation between the main parameters describing the system: the potential of the static electric field, the distribution function of charges and the surface profile of the liquid dielectric. The equations are used to study the phase transition in the system to a spatially periodic state. The proposed method can be applied in analyzing the properties of the phase transition in the system in relation to the spatially periodic states of wave type. Using the analytical and numerical methods, we perform a detailed study of the dependence of the critical parameters of such a phase transition on the thickness of the liquid dielectric film. Some stability criteria for the new asymmetric phase of the studied system are discussed.

Physics of the Kitaev Model: Fractionalization, Dynamic Correlations, and Material Connections

NASA Astrophysics Data System (ADS)

Hermanns, M.; Kimchi, I.; Knolle, J.

2018-03-01

Quantum spin liquids have fascinated condensed matter physicists for decades because of their unusual properties such as spin fractionalization and long-range entanglement. Unlike conventional symmetry breaking, the topological order underlying quantum spin liquids is hard to detect experimentally. Even theoretical models are scarce for which the ground state is established to be a quantum spin liquid. The Kitaev honeycomb model and its generalizations to other tricoordinated lattices are chief counterexamples - they are exactly solvable, harbor a variety of quantum spin liquid phases, and are also relevant for certain transition metal compounds including the polymorphs of (Na,Li)2IrO3 iridates and RuCl3. In this review, we give an overview of the rich physics of the Kitaev model, including two-dimensional and three-dimensional fractionalization as well as dynamic correlations and behavior at finite temperatures. We discuss the different materials and argue how the Kitaev model physics can be relevant even though most materials show magnetic ordering at low temperatures.

Non-Abelian fractional quantum Hall states for hard-core bosons in one dimension

NASA Astrophysics Data System (ADS)

Paredes, Belén

2012-05-01

I present a family of one-dimensional bosonic liquids analogous to non-Abelian fractional quantum Hall states. A new quantum number is introduced to characterize these liquids, the chiral momentum, which differs from the usual angular or linear momentum in one dimension. As their two-dimensional counterparts, these liquids minimize a k-body hard-core interaction with the minimum total chiral momentum. They exhibit global order, with a hidden organization of the particles in k identical copies of a one-dimensional Laughlin state. For k=2 the state is a p-wave paired phase corresponding to the Pfaffian quantum Hall state. By imposing conservation of the total chiral momentum, an exact parent Hamiltonian is derived which involves long-range tunneling and interaction processes with an amplitude decaying with the chord distance. This family of non-Abelian liquids is shown to be in formal correspondence with a family of spin-(k)/(2) liquids which are total singlets made out of k indistinguishable resonating valence bond states. The corresponding spin Hamiltonians are obtained.

Quantum mechanical force field for water with explicit electronic polarization.

PubMed

Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

2013-08-07

A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across biological ion channels through membranes.

Zero-field quantum critical point in Ce0.91Yb0.09CoIn5

NASA Astrophysics Data System (ADS)

Singh, Y. P.; Adhikari, R. B.; Haney, D. J.; White, B. D.; Maple, M. B.; Dzero, M.; Almasan, C. C.

2018-05-01

We present results of specific heat, electrical resistance, and magnetoresistivity measurements on single crystals of the heavy-fermion superconducting alloy Ce0.91Yb0.09CoIn5 . Non-Fermi-liquid to Fermi-liquid crossovers are clearly observed in the temperature dependence of the Sommerfeld coefficient γ and resistivity data. Furthermore, we show that the Yb-doped sample with x =0.09 exhibits universality due to an underlying quantum phase transition without an applied magnetic field by utilizing the scaling analysis of γ . Fitting of the heat capacity and resistivity data based on existing theoretical models indicates that the zero-field quantum critical point is of antiferromagnetic origin. Finally, we found that at zero magnetic field the system undergoes a third-order phase transition at the temperature Tc 3≈7 K.

Self-assembled quantum dots in a liquid-crystal-tunable microdisk resonator

NASA Astrophysics Data System (ADS)

Piegdon, Karoline A.; Offer, Matthias; Lorke, Axel; Urbanski, Martin; Hoischen, Andreas; Kitzerow, Heinz-S.; Declair, Stefan; Förstner, Jens; Meier, Torsten; Reuter, Dirk; Wieck, Andreas D.; Meier, Cedrik

2010-09-01

GaAs-based semiconductor microdisks with high quality whispering gallery modes ( Q>4000) have been fabricated. A layer of self-organized InAs quantum dots (QDs) served as a light source to feed the optical modes at room temperature. In order to achieve frequency tuning of the optical modes, the microdisk devices have been immersed in 4-cyano-4-pentylbiphenyl (5CB), a liquid crystal (LC) with a nematic phase below the clearing temperature of TC≈34C. We have studied the device performance in the temperature range of T=20-50C, in order to investigate the influence of the nematic-isotropic phase transition on the optical modes. Moreover, we have applied an AC electric field to the device, which leads in the nematic phase to a reorientation of the anisotropic dielectric tensor of the liquid crystal. This electrical anisotropy can be used to achieve electrical tunability of the optical modes. Using the finite-difference time domain (FDTD) technique with an anisotropic material model, we are able to describe the influence of the liquid crystal qualitatively.

Pressure-induced quantum phase transition in the quantum antiferromagnet CsFeCl3

NASA Astrophysics Data System (ADS)

Hayashida, Shohei; Zaharko, Oksana; Kurita, Nobuyuki; Tanaka, Hidekazu; Hagihala, Masato; Soda, Minoru; Itoh, Shinichi; Uwatoko, Yoshiya; Masuda, Takatsugu

2018-04-01

We have studied the pressure-induced quantum phase transition in the singlet-ground-state antiferromagnet CsFeCl3. Neutron diffraction experiments under pressure evidence the magnetic long-range order at low temperatures. Magnetic structure analysis reveals a 120∘ structure with a propagation vector of kmag=(1 /3 ,1 /3 ,0 ) . The estimated critical exponent of the order parameter suggests that CsFeCl3 belongs to the universality class of U (1 ) ×Z2 symmetry which is expected to realize the chiral liquid state.

Magnetic Excitations and Continuum of a Possibly Field-Induced Quantum Spin Liquid in α -RuCl3

NASA Astrophysics Data System (ADS)

Wang, Zhe; Reschke, S.; Hüvonen, D.; Do, S.-H.; Choi, K.-Y.; Gensch, M.; Nagel, U.; Rõõm, T.; Loidl, A.

2017-12-01

We report on terahertz spectroscopy of quantum spin dynamics in α -RuCl3 , a system proximate to the Kitaev honeycomb model, as a function of temperature and magnetic field. We follow the evolution of an extended magnetic continuum below the structural phase transition at Ts 2=62 K . With the onset of a long-range magnetic order at TN=6.5 K , spectral weight is transferred to a well-defined magnetic excitation at ℏω1=2.48 meV , which is accompanied by a higher-energy band at ℏω2=6.48 meV . Both excitations soften in a magnetic field, signaling a quantum phase transition close to Bc=7 T , where a broad continuum dominates the dynamical response. Above Bc, the long-range order is suppressed, and on top of the continuum, emergent magnetic excitations evolve. These excitations follow clear selection rules and exhibit distinct field dependencies, characterizing the dynamical properties of a possibly field-induced quantum spin liquid.

Confinement-Driven Phase Separation of Quantum Liquid Mixtures

NASA Astrophysics Data System (ADS)

Prisk, T. R.; Pantalei, C.; Kaiser, H.; Sokol, P. E.

2012-08-01

We report small-angle neutron scattering studies of liquid helium mixtures confined in Mobil Crystalline Material-41 (MCM-41), a porous silica glass with narrow cylindrical nanopores (d=3.4nm). MCM-41 is an ideal model adsorbent for fundamental studies of gas sorption in porous media because its monodisperse pores are arranged in a 2D triangular lattice. The small-angle scattering consists of a series of diffraction peaks whose intensities are determined by how the imbibed liquid fills the pores. Pure He4 adsorbed in the pores show classic, layer-by-layer film growth as a function of pore filling, leaving the long range symmetry of the system intact. In contrast, the adsorption of He3-He4 mixtures produces a structure incommensurate with the pore lattice. Neither capillary condensation nor preferential adsorption of one helium isotope to the pore walls can provide the symmetry-breaking mechanism. The scattering is consistent with the formation of randomly distributed liquid-liquid microdomains ˜2.3nm in size, providing evidence that confinement in a nanometer scale capillary can drive local phase separation in quantum liquid mixtures.

Emergence of chiral spin liquids via quantum melting of noncoplanar magnetic orders

DOE PAGES

Hickey, Ciarán; Cincio, Lukasz; Papić, Zlatko; ...

2017-09-11

Quantum spin liquids (QSLs) are highly entangled states of quantum magnets which lie beyond the Landau paradigm of classifying phases of matter via broken symmetries. A physical route to arriving at QSLs is via frustration-induced quantum melting of ordered states such as valence bond crystals or magnetic orders. Using extensive exact diagonalization (ED) and density-matrix renormalization group (DMRG)we show studies of concrete S U ( 2 ) invariant spin models on honeycomb, triangular, and square lattices, that chiral spin liquids (CSLs) emerge as descendants of triple- Q spin crystals with tetrahedral magnetic order and a large scalar spin chirality. Suchmore » ordered-to-CSL melting transitions may yield lattice realizations of effective Chern-Simons-Higgs field theories. We provides a distinct unifying perspective on the emergence of CSLs and suggests that materials with certain noncoplanar magnetic orders might provide a good starting point to search for CSLs.« less

Emergence of chiral spin liquids via quantum melting of noncoplanar magnetic orders

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

Hickey, Ciarán; Cincio, Lukasz; Papić, Zlatko

Quantum spin liquids (QSLs) are highly entangled states of quantum magnets which lie beyond the Landau paradigm of classifying phases of matter via broken symmetries. A physical route to arriving at QSLs is via frustration-induced quantum melting of ordered states such as valence bond crystals or magnetic orders. Using extensive exact diagonalization (ED) and density-matrix renormalization group (DMRG)we show studies of concrete S U ( 2 ) invariant spin models on honeycomb, triangular, and square lattices, that chiral spin liquids (CSLs) emerge as descendants of triple- Q spin crystals with tetrahedral magnetic order and a large scalar spin chirality. Suchmore » ordered-to-CSL melting transitions may yield lattice realizations of effective Chern-Simons-Higgs field theories. We provides a distinct unifying perspective on the emergence of CSLs and suggests that materials with certain noncoplanar magnetic orders might provide a good starting point to search for CSLs.« less

Low-energy scattering of electrons and positrons in liquids

NASA Technical Reports Server (NTRS)

Schrader, D. M.

1990-01-01

The scattering of low energy electrons and positrons is described for the liquid phase and compared and contrasted with that for the gas phase. Similarities as well as differences are noted. The loci of scattering sites, called spurs in the liquid phase, are considered in detail. In particular, their temporal and spatial evolution is considered from the point of view of scattering. Two emphases are made: one upon the stochastic calculation of the distribution of distances required for slowing down to thermal velocities, and the other upon the calculation of cross sections for energy loss by means of quantum mechanics.

Improvement of the Processes of Liquid-Phase Epitaxial Growth of Nanoheteroepitaxial Structures

NASA Astrophysics Data System (ADS)

Maronchuk, I. I.; Sanikovich, D. D.; Potapkov, P. V.; Vel‧chenko, A. A.

2018-05-01

We have revealed the shortcomings of equipment and technological approaches in growing nanoheteroepitaxial structures with quantum dots by liquid-phase epitaxy. We have developed and fabricated a new vertical barreltype cassette for growing quantum dots and epitaxial layers of various thicknesses in one technological process. A physico-mathematical simulation has been carried out of the processes of liquid-phase epitaxial growth of quantumdimensional structures with the use of the program product SolidWorks (FlowSimulation program). Analysis has revealed the presence of negative factors influencing the growth process of the above structures. The mathematical model has been optimized, and the equipment has been modernized without additional experiments and measurements. The flow dynamics of the process gas in the reactor at various flow rates has been investigated. A method for tuning the thermal equipment has been developed. The calculated and experimental temperature distributions in the process of growing structures with high reproducibility are in good agreement, which confirms the validity of the modernization made.

Self-bound droplets of a dilute magnetic quantum liquid

NASA Astrophysics Data System (ADS)

Schmitt, Matthias; Wenzel, Matthias; Böttcher, Fabian; Ferrier-Barbut, Igor; Pfau, Tilman

2016-11-01

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. It has been suggested that self-bound ensembles of ultracold atoms should exist for atom number densities that are 108 times lower than in a helium droplet, which is formed from a dense quantum liquid. However, such ensembles have been elusive up to now because they require forces other than the usual zero-range contact interaction, which is either attractive or repulsive but never both. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report the observation of such droplets in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms. These droplets are the dilute counterpart of strongly correlated self-bound systems such as atomic nuclei and helium droplets.

Self-bound droplets of a dilute magnetic quantum liquid.

PubMed

Schmitt, Matthias; Wenzel, Matthias; Böttcher, Fabian; Ferrier-Barbut, Igor; Pfau, Tilman

2016-11-10

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. It has been suggested that self-bound ensembles of ultracold atoms should exist for atom number densities that are 10 8 times lower than in a helium droplet, which is formed from a dense quantum liquid. However, such ensembles have been elusive up to now because they require forces other than the usual zero-range contact interaction, which is either attractive or repulsive but never both. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report the observation of such droplets in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms. These droplets are the dilute counterpart of strongly correlated self-bound systems such as atomic nuclei and helium droplets.

Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach

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

Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012; Ando, Koji

2014-05-07

Liquid para-hydrogen (p-H{sub 2}) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H{sub 2}. The NQEs, such as WP delocalization and zero-point energy, are taken into account without perturbative expansion of prepared model potential functions but with explicit interactions between nuclear and electron WPs. The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computationalmore » cost, by which basic experimental properties of p-H{sub 2} liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced.« less

Colloquium: Zoo of quantum-topological phases of matter

NASA Astrophysics Data System (ADS)

Wen, Xiao-Gang

2017-10-01

What are topological phases of matter? First, they are phases of matter at zero temperature. Second, they have a nonzero energy gap for the excitations above the ground state. Third, they are disordered liquids that seem to have no feature. But those disordered liquids actually can have rich patterns of many-body entanglement representing new kinds of order. This Colloquium gives a simple introduction and a brief survey of topological phases of matter. First topological phases with topological order (i.e., with long-range entanglement) are discussed. Then topological phases without topological order (i.e., with short-range entanglement) are covered.

Phase transition with trivial quantum criticality in an anisotropic Weyl semimetal

NASA Astrophysics Data System (ADS)

Li, Xin; Wang, Jing-Rong; Liu, Guo-Zhu

2018-05-01

When a metal undergoes continuous quantum phase transition, the correlation length diverges at the critical point and the quantum fluctuation of order parameter behaves as a gapless bosonic mode. Generically, the coupling of this boson to fermions induces a variety of unusual quantum critical phenomena, such as non-Fermi liquid behavior and various emergent symmetries. Here, we perform a renormalization group analysis of the semimetal-superconductor quantum criticality in a three-dimensional anisotropic Weyl semimetal. Surprisingly, distinct from previously studied quantum critical systems, the anomalous dimension of anisotropic Weyl fermions flows to zero very quickly with decreasing energy, and the quasiparticle residue takes a nonzero value. These results indicate that the quantum fluctuation of superconducting order parameter is irrelevant at low energies, and a simple mean-field calculation suffices to capture the essential physics of the superconducting transition. We thus obtain a phase transition that exhibits trivial quantum criticality, which is unique comparing to other invariably nontrivial quantum critical systems. Our theoretical prediction can be experimentally verified by measuring the fermion spectral function and specific heat.

Majorana spin liquids, topology, and superconductivity in ladders

NASA Astrophysics Data System (ADS)

Le Hur, Karyn; Soret, Ariane; Yang, Fan

2017-11-01

We theoretically address spin chain analogs of the Kitaev quantum spin model on the honeycomb lattice. The emergent quantum spin-liquid phases or Anderson resonating valence-bond (RVB) states can be understood, as an effective model, in terms of p -wave superconductivity and Majorana fermions. We derive a generalized phase diagram for the two-leg ladder system with tunable interaction strengths between chains allowing us to vary the shape of the lattice (from square to honeycomb ribbon or brickwall ladder). We evaluate the winding number associated with possible emergent (topological) gapless modes at the edges. In the Az phase, as a result of the emergent Z2 gauge fields and π -flux ground state, one may build spin-1/2 (loop) qubit operators by analogy to the toric code. In addition, we show how the intermediate gapless B phase evolves in the generalized ladder model. For the brick-wall ladder, the B phase is reduced to one line, which is analyzed through perturbation theory in a rung tensor product states representation and bosonization. Finally, we show that doping with a few holes can result in the formation of hole pairs and leads to a mapping with the Su-Schrieffer-Heeger model in polyacetylene; a superconducting-insulating quantum phase transition for these hole pairs is accessible, as well as related topological properties.

Gordon Research Conference on Crystal Growth (1990)

DTIC Science & Technology

1990-04-01

Labs, MH) 14. Cox Vapor Levitation Epitaxy of Quantum Wires and Wire-like Structures Using Laterally Propagating Surface Steps. (Bellcore, Red Bank) 15...introduced many new aspects of crystal growth, including strained layer superlattices, quantum cluster growth, and vertical zone melting of GaAs...Films 2. E. Bauser Semiconductor Liquid Phase Epitaxy: Growth and Properties of Layers and Heterostructures 3. M. L. Steigerwald Growth of Quantum

Universality class of non-Fermi-liquid behavior in mixed-valence systems

NASA Astrophysics Data System (ADS)

Zhang, Guang-Ming; Su, Zhao-Bin; Yu, Lu

1996-01-01

A generalized Anderson single-impurity model with off-site Coulomb interactions is derived from the extended three-band Hubbard model, originally proposed to describe the physics of the copper oxides. Using the Abelian bosonization technique and canonical transformations, an effective Hamiltonian is derived in the strong-coupling limit, which is essentially analogous to the Toulouse limit of the ordinary Kondo problem. In this limit, the effective Hamiltonian can be exactly solved, with a mixed-valence quantum critical point separating two different Fermi-liquid phases, i.e., the Kondo phase and the empty orbital phase. In the mixed-valence quantum critical regime, the local moment is only partially quenched and x-ray edge singularities are generated. Around the quantum critical point, a type of non-Fermi-liquid behavior is predicted with an extra specific heat Cimp~T1/4 and a singular spin susceptibility χimp~T-3/4. At the same time, the effective Hamiltonian under single occupancy is transformed into a resonant-level model, from which the correct Kondo physical properties (specific heat, spin susceptibility, and an enhanced Wilson ratio) are easily rederived. Finally, a brief discussion is given to relate these theoretical results to observations in UPdxCu5-x (x=1,1.5) alloys, which show single-impurity critical behavior consistent with our predictions.

Tunable Quantum Spin Liquidity in Mo3O13 Cluster Mott Insulators

NASA Astrophysics Data System (ADS)

Akbari-Sharbaf, Arash; Ziat, Djamel; Verrier, Aime; Quilliam, Jeffrey A.; Sinclair, Ryan; Zhou, Haidong D.; Sun, Xuefeng F.

A study of a tunable quantum spin liquid (QSL) phase in the compound Li2In1- x ScxMo3O8 (x = 0.2, 0.4, 0.6, 0.8, 1) will be presented. Crystal structure of these compounds can be viewed as Mo ions arranged on an asymmetric Kagome lattice (KL), with two different Mo-Mo bond lengths, separated by nonmagnetic layers composed of Li, In, and Sc ions. Using X-ray diffraction spectroscopy, muon spin relaxation spectroscopy, bulk magnetic susceptibility and specific heat measurements we show that by changing the composition of the nonmagnetic layers we can drive the system from an ordered antiferromagnetic state to a quantum spin liquid state. The mechanism responsible for the tunability of the magnetic phase in this class of materials may be associated with the degree of asymmetry of the KL controlled by the composition of the nonmagnetic layers. For high degree of asymmetry the constraint on the electronic distribution leads to a configuration of Mo3O8 clusters with net spin-1/2 per cluster arrange on a triangular lattice and long range antiferromagnetic order. For low degree of asymmetry the electronic distribution leads to a magnetic phase with QSL character. We acknowledge support from NSERC and CFREF.

Modulated phases of graphene quantum Hall polariton fluids

PubMed Central

Pellegrino, Francesco M. D.; Giovannetti, Vittorio; MacDonald, Allan H.; Polini, Marco

2016-01-01

There is a growing experimental interest in coupling cavity photons to the cyclotron resonance excitations of electron liquids in high-mobility semiconductor quantum wells or graphene sheets. These media offer unique platforms to carry out fundamental studies of exciton-polariton condensation and cavity quantum electrodynamics in a regime, in which electron–electron interactions are expected to play a pivotal role. Here, focusing on graphene, we present a theoretical study of the impact of electron–electron interactions on a quantum Hall polariton fluid, that is a fluid of magneto-excitons resonantly coupled to cavity photons. We show that electron–electron interactions are responsible for an instability of graphene integer quantum Hall polariton fluids towards a modulated phase. We demonstrate that this phase can be detected by measuring the collective excitation spectra, which is often at a characteristic wave vector of the order of the inverse magnetic length. PMID:27841346

Universal thermodynamics of the one-dimensional attractive Hubbard model

NASA Astrophysics Data System (ADS)

Cheng, Song; Yu, Yi-Cong; Batchelor, M. T.; Guan, Xi-Wen

2018-03-01

The one-dimensional (1D) Hubbard model, describing electrons on a lattice with an on-site repulsive interaction, provides a paradigm for the physics of quantum many-body phenomena. Here, by solving the thermodynamic Bethe ansatz equations, we study the universal thermodynamics, quantum criticality, and magnetism of the 1D attractive Hubbard model. We show that the compressibility and the susceptibility of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO)-like state obey simple additivity rules at low temperatures, indicating an existence of two free quantum fluids. The magnetic properties, such as magnetization and susceptibility, reveal three physical regions: quantum fluids at low temperatures, a non-Fermi liquid at high temperatures, and the quantum fluid to non-Fermi liquid crossover in between. The lattice interaction is seen to significantly influence the nature of the FFLO-like state in 1D. Furthermore, we show that the dimensionless Wilson ratio provides an ideal parameter to map out the various phase boundaries and to characterize the two free fluids of the FLLO-like state. The quantum scaling functions for the thermal and magnetic properties yield the same dynamic critical exponent z =2 and correlation critical exponent ν =1 /2 in the quantum critical region whenever a phase transition occurs. Our results provide a rigorous understanding of quantum criticality and free fluids of many-body systems on a 1D lattice.

Thermodynamics of phase formation in the quantum critical metal Sr3Ru2O7

PubMed Central

Rost, A. W.; Grigera, S. A.; Bruin, J. A. N.; Perry, R. S.; Tian, D.; Raghu, S.; Kivelson, Steven Allan; Mackenzie, A. P.

2011-01-01

The behavior of matter near zero temperature continuous phase transitions, or “quantum critical points” is a central topic of study in condensed matter physics. In fermionic systems, fundamental questions remain unanswered: the nature of the quantum critical regime is unclear because of the apparent breakdown of the concept of the quasiparticle, a cornerstone of existing theories of strongly interacting metals. Even less is known experimentally about the formation of ordered phases from such a quantum critical “soup.” Here, we report a study of the specific heat across the phase diagram of the model system Sr3Ru2O7, which features an anomalous phase whose transport properties are consistent with those of an electronic nematic. We show that this phase, which exists at low temperatures in a narrow range of magnetic fields, forms directly from a quantum critical state, and contains more entropy than mean-field calculations predict. Our results suggest that this extra entropy is due to remnant degrees of freedom from the highly entropic state above Tc. The associated quantum critical point, which is “concealed” by the nematic phase, separates two Fermi liquids, neither of which has an identifiable spontaneously broken symmetry, but which likely differ in the topology of their Fermi surfaces. PMID:21933961

Scalability, Scintillation Readout and Charge Drift in a Kilogram Scale Solid Xenon Particle Detector

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

Yoo, J.; Cease, H.; Jaskierny, W. F.

2014-10-23

We report a demonstration of the scalability of optically transparent xenon in the solid phase for use as a particle detector above a kilogram scale. We employ a liquid nitrogen cooled cryostat combined with a xenon purification and chiller system to measure the scintillation light output and electron drift speed from both the solid and liquid phases of xenon. Scintillation light output from sealed radioactive sources is measured by a set of high quantum efficiency photomultiplier tubes suitable for cryogenic applications. We observed a reduced amount of photons in solid phase compared to that in liquid phase. We used amore » conventional time projection chamber system to measure the electron drift time in a kilogram of solid xenon and observed faster electron drift speed in the solid phase xenon compared to that in the liquid phase.« less

Physics of Resonating Valence Bond Spin Liquids

NASA Astrophysics Data System (ADS)

Wildeboer, Julia Saskia

This thesis will investigate various aspects of the physics of resonating valence bond spin liquids. After giving an introduction to the world that lies beyond Landau's priciple of symmetry breaking, e.g. giving an overview of exotic magnetic phases and how they can be described and (possibly) found, we will study a spin-rotationally invariant model system with a known parent Hamiltonian, and argue its ground state to lie within a highly sought after exotic phase, namely the Z2 quantum spin liquid phase. A newly developed numerical procedure --Pfaffian Monte Carlo-- will be introduced to amass evidence that our model Hamiltonian indeed exhibits a Z2 quantum spin liquid phase. Subsequently, we will prove a useful mathematical property of the resonating valence bond states: these states are shown to be linearly independent. Various lattices are investigated concerning this property, and its applications and usefullness are discussed. Eventually, we present a simplified model system describing the interplay of the well known Heisenberg interaction and the Dzyaloshinskii-Moriya (DM) interaction term acting on a sawtooth chain. The effect of the interplay between the two interaction couplings on the phase diagram is investigated. To do so, we employ modern techniques such as the density matrix renormalization group (DMRG) scheme. We find that for weak DM interaction the system exhibits valence bond order. However, a strong enough DM coupling destroys this order.

Entanglement entropy of critical spin liquids.

PubMed

Zhang, Yi; Grover, Tarun; Vishwanath, Ashvin

2011-08-05

Quantum spin liquids are phases of matter whose internal structure is not captured by a local order parameter. Particularly intriguing are critical spin liquids, where strongly interacting excitations control low energy properties. Here we calculate their bipartite entanglement entropy that characterizes their quantum structure. In particular we calculate the Renyi entropy S(2) on model wave functions obtained by Gutzwiller projection of a Fermi sea. Although the wave functions are not sign positive, S(2) can be calculated on relatively large systems (>324 spins) using the variational Monte Carlo technique. On the triangular lattice we find that entanglement entropy of the projected Fermi sea state violates the boundary law, with S(2) enhanced by a logarithmic factor. This is an unusual result for a bosonic wave function reflecting the presence of emergent fermions. These techniques can be extended to study a wide class of other phases.

Calorimetry of a Bose–Einstein-condensed photon gas

PubMed Central

Damm, Tobias; Schmitt, Julian; Liang, Qi; Dung, David; Vewinger, Frank; Weitz, Martin; Klaers, Jan

2016-01-01

Phase transitions, as the condensation of a gas to a liquid, are often revealed by a discontinuous behaviour of thermodynamic quantities. For liquid helium, for example, a divergence of the specific heat signals the transition from the normal fluid to the superfluid state. Apart from liquid helium, determining the specific heat of a Bose gas has proven to be a challenging task, for example, for ultracold atomic Bose gases. Here we examine the thermodynamic behaviour of a trapped two-dimensional photon gas, a system that allows us to spectroscopically determine the specific heat and the entropy of a nearly ideal Bose gas from the classical high temperature to the Bose-condensed quantum regime. The critical behaviour at the phase transition is clearly revealed by a cusp singularity of the specific heat. Regarded as a test of quantum statistical mechanics, our results demonstrate a quantitative agreement with its predictions at the microscopic level. PMID:27090978

Computer simulation of liquid-vapor coexistence of confined quantum fluids

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

Trejos, Víctor M.; Gil-Villegas, Alejandro, E-mail: gil@fisica.ugto.mx; Martinez, Alejandro

2013-11-14

The liquid-vapor coexistence (LV) of bulk and confined quantum fluids has been studied by Monte Carlo computer simulation for particles interacting via a semiclassical effective pair potential V{sub eff}(r) = V{sub LJ} + V{sub Q}, where V{sub LJ} is the Lennard-Jones 12-6 potential (LJ) and V{sub Q} is the first-order Wigner-Kirkwood (WK-1) quantum potential, that depends on β = 1/kT and de Boer's quantumness parameter Λ=h/σ√(mε), where k and h are the Boltzmann's and Planck's constants, respectively, m is the particle's mass, T is the temperature of the system, and σ and ε are the LJ potential parameters. The non-conformalmore » properties of the system of particles interacting via the effective pair potential V{sub eff}(r) are due to Λ, since the LV phase diagram is modified by varying Λ. We found that the WK-1 system gives an accurate description of the LV coexistence for bulk phases of several quantum fluids, obtained by the Gibbs Ensemble Monte Carlo method (GEMC). Confinement effects were introduced using the Canonical Ensemble (NVT) to simulate quantum fluids contained within parallel hard walls separated by a distance L{sub p}, within the range 2σ ⩽ L{sub p} ⩽ 6σ. The critical temperature of the system is reduced by decreasing L{sub p} and increasing Λ, and the liquid-vapor transition is not longer observed for L{sub p}/σ < 2, in contrast to what has been observed for the classical system.« less

Anisotropy-driven transition from the Moore-Read state to quantum Hall stripes

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Sodemann, Inti; Sheng, D. N.; Fu, Liang

2017-05-01

We investigate the nature of the quantum Hall liquid in a half-filled second Landau level (n =1 ) as a function of band mass anisotropy using numerical exact diagonalization and density matrix renormalization group methods. We find increasing the mass anisotropy induces a quantum phase transition from the Moore-Read state to a charge density wave state. By analyzing the energy spectrum, guiding center structure factors, and by adding weak pinning potentials, we show that this charge density wave is a unidirectional quantum Hall stripe, which has a periodicity of a few magnetic lengths and survives in the thermodynamic limit. We find smooth profiles for the guiding center occupation function that reveal the strong coupling nature of the array of chiral Luttinger liquids residing at the stripe edges.

Spin-one bilinear-biquadratic model on a star lattice

NASA Astrophysics Data System (ADS)

Lee, Hyun-Yong; Kawashima, Naoki

2018-05-01

We study the ground-state phase diagram of the S =1 bilinear-biquadratic model (BLBQ) on the star lattice with the state-of-art tensor network algorithms. The system has four phases: the ferromagnetic, antiferromagnetic, ferroquadrupolar, and spin-liquid phases. The phases and their phase boundaries are determined by examining various local observables, correlation functions, and transfer matrices exhaustively. The spin-liquid phase, which is the first quantum disordered phase found in the two-dimensional BLBQ model, is gapped and devoid of any conventional long-range order. It is also characterized by fixed-parity virtual bonds in the tensor network formalism, analogous to the Haldane phase, while the parity varies depending on the location of the bond.

Quantum mechanical force field for hydrogen fluoride with explicit electronic polarization.

PubMed

Mazack, Michael J M; Gao, Jiali

2014-05-28

The explicit polarization (X-Pol) theory is a fragment-based quantum chemical method that explicitly models the internal electronic polarization and intermolecular interactions of a chemical system. X-Pol theory provides a framework to construct a quantum mechanical force field, which we have extended to liquid hydrogen fluoride (HF) in this work. The parameterization, called XPHF, is built upon the same formalism introduced for the XP3P model of liquid water, which is based on the polarized molecular orbital (PMO) semiempirical quantum chemistry method and the dipole-preserving polarization consistent point charge model. We introduce a fluorine parameter set for PMO, and find good agreement for various gas-phase results of small HF clusters compared to experiments and ab initio calculations at the M06-2X/MG3S level of theory. In addition, the XPHF model shows reasonable agreement with experiments for a variety of structural and thermodynamic properties in the liquid state, including radial distribution functions, interaction energies, diffusion coefficients, and densities at various state points.

Time-of-Flight Measurements as a Possible Method to Observe Anyonic Statistics

NASA Astrophysics Data System (ADS)

Umucalılar, R. O.; Macaluso, E.; Comparin, T.; Carusotto, I.

2018-06-01

We propose a standard time-of-flight experiment as a method for observing the anyonic statistics of quasiholes in a fractional quantum Hall state of ultracold atoms. The quasihole states can be stably prepared by pinning the quasiholes with localized potentials and a measurement of the mean square radius of the freely expanding cloud, which is related to the average total angular momentum of the initial state, offers direct signatures of the statistical phase. Our proposed method is validated by Monte Carlo calculations for ν =1 /2 and 1 /3 fractional quantum Hall liquids containing a realistic number of particles. Extensions to quantum Hall liquids of light and to non-Abelian anyons are briefly discussed.

Cryo-mediated exfoliation and fracturing of layered materials into 2D quantum dots

PubMed Central

Wang, Yan; Liu, Yang; Zhang, Jianfang; Wu, Jingjie; Xu, Hui; Wen, Xiewen; Zhang, Xiang; Tiwary, Chandra Sekhar; Yang, Wei; Vajtai, Robert; Zhang, Yong; Chopra, Nitin; Odeh, Ihab Nizar; Wu, Yucheng; Ajayan, Pulickel M.

2017-01-01

Atomically thin quantum dots from layered materials promise new science and applications, but their scalable synthesis and separation have been challenging. We demonstrate a universal approach for the preparation of quantum dots from a series of materials, such as graphite, MoS2, WS2, h-BN, TiS2, NbS2, Bi2Se3, MoTe2, Sb2Te3, etc., using a cryo-mediated liquid-phase exfoliation and fracturing process. The method relies on liquid nitrogen pretreatment of bulk layered materials before exfoliation and breakdown into atomically thin two-dimensional quantum dots of few-nanometer lateral dimensions, exhibiting size-confined optical properties. This process is efficient for a variety of common solvents with a wide range of surface tension parameters and eliminates the use of surfactants, resulting in pristine quantum dots without surfactant covering or chemical modification. PMID:29250597

Non-equilibrium dynamics of artificial quantum matter

NASA Astrophysics Data System (ADS)

Babadi, Mehrtash

The rapid progress of the field of ultracold atoms during the past two decades has set new milestones in our control over matter. By cooling dilute atomic gases and molecules to nano-Kelvin temperatures, novel quantum mechanical states of matter can be realized and studied on a table-top experimental setup while bulk matter can be tailored to faithfully simulate abstract theoretical models. Two of such models which have witnessed significant experimental and theoretical attention are (1) the two-component Fermi gas with resonant s-wave interactions, and (2) the single-component Fermi gas with dipole-dipole interactions. This thesis is devoted to studying the non-equilibrium collective dynamics of these systems using the general framework of quantum kinetic theory. We present a concise review of the utilized mathematical methods in the first two chapters, including the Schwinger-Keldysh formalism of non-equilibrium quantum fields, two-particle irreducible (2PI) effective actions and the framework of quantum kinetic theory. We study the collective dynamics of the dipolar Fermi gas in a quasi-two-dimensional optical trap in chapter 3 and provide a detailed account of its dynamical crossover from the collisionless to the hydrodynamical regime. Chapter 4 is devoted to studying the dynamics of the attractive Fermi gas in the normal phase. Starting from the self-consistent T-matrix (pairing fluctuation) approximation, we systematically derive a set of quantum kinetic equations and show that they provide a globally valid description of the dynamics of the attractive Fermi gas, ranging from the weak-coupling Fermi liquid phase to the intermediate non-Fermi liquid pairing pseudogap regime and finally the strong-coupling Bose liquid phase. The shortcomings of the self-consistent T-matrix approximation in two spatial dimensions are discussed along with a proposal to overcome its unphysical behaviors. The developed kinetic formalism is finally utilized to reproduce and interpret the findings of a recent experiment done on the collective dynamics of trapped two-dimensional ultracold gases.

Quantum vortex melting and phase diagram in the layered organic superconductor κ -(BEDT-TTF)2Cu(NCS ) 2

NASA Astrophysics Data System (ADS)

Uji, S.; Fujii, Y.; Sugiura, S.; Terashima, T.; Isono, T.; Yamada, J.

2018-01-01

Resistance and magnetic torque measurements have been performed to investigate vortex phases for a layered organic superconductor κ -(BEDT-TTF) 2Cu (NCS) 2 [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene], which is modeled as stacks of Josephson junctions. At 25 mK, the out-of-plane resistivity increases at 0.6 T, has a step feature up to 4 T, and then increases again, whereas the in-plane resistivity monotonically increases above 4 T. The results show that both pancake vortices (PVs) and Josephson vortices (JVs) are in solid phases for μ0H <0.6 T, but only JVs are in a liquid phase for 0.6 <μ0H <4 T. For μ0H >4 T, both PVs and JVs are in liquid phases. These melting transitions are predominantly induced by quantum fluctuations (not by thermal fluctuations). In the magnetic torque curves, the irreversibility transition is clearly observed, roughly corresponding to the melting transition of the PVs but no anomaly is found at the JV melting transition. The detailed vortex phase diagram is determined in a wide temperature region.

Shock Response and Phase Transitions of MgO at Planetary Impact Conditions.

PubMed

Root, Seth; Shulenburger, Luke; Lemke, Raymond W; Dolan, Daniel H; Mattsson, Thomas R; Desjarlais, Michael P

2015-11-06

The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of the dominant constituents in Earth's mantle, using high-precision, plate impact shock compression experiments performed on Sandia National Laboratories' Z Machine and extensive quantum calculations using density functional theory (DFT) and quantum Monte Carlo (QMC) methods. The combined data span from ambient conditions to 1.2 TPa and 42 000 K, showing solid-solid and solid-liquid phase boundaries. Furthermore our results indicate that under impact the solid and liquid phases coexist for more than 100 GPa, pushing complete melting to pressures in excess of 600 GPa. The high pressure required for complete shock melting has implications for a broad range of planetary collision events.

Shock response and phase transitions of MgO at planetary impact conditions

DOE PAGES

Root, Seth; Shulenburger, Luke; Lemke, Raymond W.; ...

2015-11-04

The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of the dominant constituents in Earth’s mantle, using high-precision, plate impact shock compression experiments performed on Sandia National Laboratories’ Z Machine and extensive quantum calculations using density functional theory (DFT) and quantum Monte Carlo (QMC) methods. The combined data span from ambient conditions to 1.2 TPa and 42,000 K, showing solid-solid and solid-liquid phase boundaries. Furthermore our results indicate that under impact the solidmore » and liquid phases coexist for more than 100 GPa, pushing complete melting to pressures in excess of 600 GPa. Furthermore, the high pressure required for complete shock melting has implications for a broad range of planetary collision events.« less

Distinct nature of orbital-selective Mott phases dominated by low-energy local spin fluctuations

NASA Astrophysics Data System (ADS)

Song, Ze-Yi; Jiang, Xiu-Cai; Lin, Hai-Qing; Zhang, Yu-Zhong

2017-12-01

Quantum orbital-selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of itinerant electrons and localized spins, dependent on whether the Hund's coupling is full or of Ising type. The critical values and the nature of the OSM transitions are efficiently determined by entanglement entropy. We reveal that vanishing of the Kondo energy scale evidenced by absence of local spin fluctuations at low frequency in local dynamical spin susceptibility is responsible for the appearance of non-Fermi-liquid OSM phase in Ising Hund's coupling case. We argue that this scenario can also be applied to account for emergent quantum non-Fermi liquid in the one-band Hubbard model when short-range antiferromagnetic order is considered.

Physical realization of a quantum spin liquid based on a complex frustration mechanism

NASA Astrophysics Data System (ADS)

Reuther, Johannes; Balz, Christian; Lake, Bella

Unlike conventional magnets where the spins undergo magnetic long-range order in the ground state, in a quantum spin liquid they remain disordered down to the lowest temperatures without breaking local symmetries. Here, we investigate the novel, unexplored bilayer-kagome magnet Ca10Cr7O28, which has a complex Hamiltonian consisting of isotropic antiferromagnetic and ferromagnetic interactions where the ferromagnetic couplings are the dominant ones. We show both experimentally and theoretically that this compound displays all the features expected of a quantum spin liquid. In particular, experiments rule out static magnetic order down to 19mK and reveal a diffuse spinon-like excitation spectrum. Numerically simulating this material using the pseudo fermion functional renormalization group (PFFRG) method, we theoretically confirm the non-magnetic ground state of the system and qualitatively reproduce the measured spin correlation profile. By tuning the model parameters away from those realized in Ca10Cr7O28 we further show that the spin-liquid phase is of remarkable stability.

A surprisingly simple correlation between the classical and quantum structural networks in liquid water

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

Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to structure, dynamics, spectroscopy and transport. Although several of water’s macroscopic properties can be reproduced by classical descriptions of the nuclei using potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required in order to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen bonded structural networks in liquid water resulting from the classical (class.) andmore » quantum (q.m.) descriptions of the nuclei with the transferable, flexible, polarizable TTM3-F interaction potential, we found that the two results can be superimposed over the temperature range of T=270-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(q.m.)=aT(class)- T , where a=1.2 and T=51 K. The linear scaling and constant shift of the temperature scale can be considered as a generalization of the previously reported temperature shifts (corresponding to structural changes and the melting T) induced by quantum effects in liquid water.« less

A spin-orbital-entangled quantum liquid on a honeycomb lattice

NASA Astrophysics Data System (ADS)

Kitagawa, K.; Takayama, T.; Matsumoto, Y.; Kato, A.; Takano, R.; Kishimoto, Y.; Bette, S.; Dinnebier, R.; Jackeli, G.; Takagi, H.

2018-02-01

The honeycomb lattice is one of the simplest lattice structures. Electrons and spins on this simple lattice, however, often form exotic phases with non-trivial excitations. Massless Dirac fermions can emerge out of itinerant electrons, as demonstrated experimentally in graphene, and a topological quantum spin liquid with exotic quasiparticles can be realized in spin-1/2 magnets, as proposed theoretically in the Kitaev model. The quantum spin liquid is a long-sought exotic state of matter, in which interacting spins remain quantum-disordered without spontaneous symmetry breaking. The Kitaev model describes one example of a quantum spin liquid, and can be solved exactly by introducing two types of Majorana fermion. Realizing a Kitaev model in the laboratory, however, remains a challenge in materials science. Mott insulators with a honeycomb lattice of spin-orbital-entangled pseudospin-1/2 moments have been proposed, including the 5d-electron systems α-Na2IrO3 (ref. 5) and α-Li2IrO3 (ref. 6) and the 4d-electron system α-RuCl3 (ref. 7). However, these candidates were found to magnetically order rather than form a liquid at sufficiently low temperatures, owing to non-Kitaev interactions. Here we report a quantum-liquid state of pseudospin-1/2 moments in the 5d-electron honeycomb compound H3LiIr2O6. This iridate does not display magnetic ordering down to 0.05 kelvin, despite an interaction energy of about 100 kelvin. We observe signatures of low-energy fermionic excitations that originate from a small number of spin defects in the nuclear-magnetic-resonance relaxation and the specific heat. We therefore conclude that H3LiIr2O6 is a quantum spin liquid. This result opens the door to finding exotic quasiparticles in a strongly spin-orbit-coupled 5d-electron transition-metal oxide.

Statistical transmutation in doped quantum dimer models.

PubMed

Lamas, C A; Ralko, A; Cabra, D C; Poilblanc, D; Pujol, P

2012-07-06

We prove a "statistical transmutation" symmetry of doped quantum dimer models on the square, triangular, and kagome lattices: the energy spectrum is invariant under a simultaneous change of statistics (i.e., bosonic into fermionic or vice versa) of the holes and of the signs of all the dimer resonance loops. This exact transformation enables us to define the duality equivalence between doped quantum dimer Hamiltonians and provides the analytic framework to analyze dynamical statistical transmutations. We investigate numerically the doping of the triangular quantum dimer model with special focus on the topological Z(2) dimer liquid. Doping leads to four (instead of two for the square lattice) inequivalent families of Hamiltonians. Competition between phase separation, superfluidity, supersolidity, and fermionic phases is investigated in the four families.

Model for a Ferromagnetic Quantum Critical Point in a 1D Kondo Lattice

NASA Astrophysics Data System (ADS)

Komijani, Yashar; Coleman, Piers

2018-04-01

Motivated by recent experiments, we study a quasi-one-dimensional model of a Kondo lattice with ferromagnetic coupling between the spins. Using bosonization and dynamical large-N techniques, we establish the presence of a Fermi liquid and a magnetic phase separated by a local quantum critical point, governed by the Kondo breakdown picture. Thermodynamic properties are studied and a gapless charged mode at the quantum critical point is highlighted.

Universality and Quantum Criticality of the One-Dimensional Spinor Bose Gas

NASA Astrophysics Data System (ADS)

PâÅ£u, Ovidiu I.; Klümper, Andreas; Foerster, Angela

2018-06-01

We investigate the universal thermodynamics of the two-component one-dimensional Bose gas with contact interactions in the vicinity of the quantum critical point separating the vacuum and the ferromagnetic liquid regime. We find that the quantum critical region belongs to the universality class of the spin-degenerate impenetrable particle gas which, surprisingly, is very different from the single-component case and identify its boundaries with the peaks of the specific heat. In addition, we show that the compressibility Wilson ratio, which quantifies the relative strength of thermal and quantum fluctuations, serves as a good discriminator of the quantum regimes near the quantum critical point. Remarkably, in the Tonks-Girardeau regime, the universal contact develops a pronounced minimum, reflected in a counterintuitive narrowing of the momentum distribution as we increase the temperature. This momentum reconstruction, also present at low and intermediate momenta, signals the transition from the ferromagnetic to the spin-incoherent Luttinger liquid phase and can be detected in current experiments with ultracold atomic gases in optical lattices.

Quantum spin liquids and the metal-insulator transition in doped semiconductors.

PubMed

Potter, Andrew C; Barkeshli, Maissam; McGreevy, John; Senthil, T

2012-08-17

We describe a new possible route to the metal-insulator transition in doped semiconductors such as Si:P or Si:B. We explore the possibility that the loss of metallic transport occurs through Mott localization of electrons into a quantum spin liquid state with diffusive charge neutral "spinon" excitations. Such a quantum spin liquid state can appear as an intermediate phase between the metal and the Anderson-Mott insulator. An immediate testable consequence is the presence of metallic thermal conductivity at low temperature in the electrical insulator near the metal-insulator transition. Further, we show that though the transition is second order, the zero temperature residual electrical conductivity will jump as the transition is approached from the metallic side. However, the electrical conductivity will have a nonmonotonic temperature dependence that may complicate the extrapolation to zero temperature. Signatures in other experiments and some comparisons with existing data are made.

Kondo destruction in a quantum paramagnet with magnetic frustration

NASA Astrophysics Data System (ADS)

Zhang, Jiahao; Zhao, Hengcan; Lv, Meng; Hu, Sile; Isikawa, Yosikazu; Yang, Yi-feng; Si, Qimiao; Steglich, Frank; Sun, Peijie

2018-06-01

We report results of isothermal magnetotransport and susceptibility measurements at elevated magnetic fields B down to very low temperatures T on single crystals of the frustrated Kondo-lattice system CePdAl. They reveal a B*(T ) line within the paramagnetic part of the phase diagram. This line denotes a thermally broadened "small"-to-"large" Fermi-surface crossover which substantially narrows upon cooling. At B0 *=B*(T =0 ) =(4.6 ±0.1 ) T , this B*(T ) line merges with two other crossover lines, viz. Tp(B ) below and TFL(B ) above B0 *. Tp characterizes a frustration-dominated spin-liquid state, while TFL is the Fermi-liquid temperature associated with the lattice Kondo effect. Non-Fermi-liquid phenomena which are commonly observed near a "Kondo-destruction" quantum-critical point cannot be resolved in CePdAl. Our observations reveal a rare case where Kondo coupling, frustration, and quantum criticality are closely intertwined.

Two-dimensional lattice gauge theories with superconducting quantum circuits

PubMed Central

Marcos, D.; Widmer, P.; Rico, E.; Hafezi, M.; Rabl, P.; Wiese, U.-J.; Zoller, P.

2014-01-01

A quantum simulator of U(1) lattice gauge theories can be implemented with superconducting circuits. This allows the investigation of confined and deconfined phases in quantum link models, and of valence bond solid and spin liquid phases in quantum dimer models. Fractionalized confining strings and the real-time dynamics of quantum phase transitions are accessible as well. Here we show how state-of-the-art superconducting technology allows us to simulate these phenomena in relatively small circuit lattices. By exploiting the strong non-linear couplings between quantized excitations emerging when superconducting qubits are coupled, we show how to engineer gauge invariant Hamiltonians, including ring-exchange and four-body Ising interactions. We demonstrate that, despite decoherence and disorder effects, minimal circuit instances allow us to investigate properties such as the dynamics of electric flux strings, signaling confinement in gauge invariant field theories. The experimental realization of these models in larger superconducting circuits could address open questions beyond current computational capability. PMID:25512676

Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation.

PubMed

Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro

2014-03-19

The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic properties. We find that the molecular liquid phase is unexpectedly stable, and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low-temperature atomization is, therefore, still far from experimental reach.

Unconventional phases in quantum spin and pseudospin systems in two dimensional and three dimensional lattices

NASA Astrophysics Data System (ADS)

Xu, Cenke

Several examples of quantum spin systems and pseudo spin systems have been studied, and unconventional states of matters and phase transitions have been realized in all these systems under consideration. In the p +/- ip superconductor Josephson lattice and the p--band cold atomic system trapped in optical lattices, novel phases which behave similarly to 1+1 dimensional systems are realized, despite the fact that the real physical systems are in two or three dimensional spaces. For instance, by employing a spin-wave analysis together with a new duality transformation, we establish the existence and stability of a novel gapless "critical phase", which we refer to as a "bond algebraic liquid". This novel critical phase is analogous to the 1+1 dimensional algebraic boson liquid phase. The reason for the novel physics is that there is a quasilocal gauge symmetry in the effective low energy Hamiltonian. In a spin-1 system on the kagome lattice, and a hard-core boson system on the honeycomb lattice, the low energy physics is controlled by two components of compact U(1) gauge symmetries that emerge at low energy. Making use of the confinement nature of the 2+1 dimensional compact gauge theories and the powerful duality between gauge theories and height field theories, the crystalline phase diagrams are studied for both systems, and the transitions to other phases are also considered. These phase diagrams might be accessible in strongly correlated materials, or atomic systems in optical lattices. A novel quantum ground state of matter is realized in a bosonic model on three dimensional fcc lattice with emergent low energy excitations. The novel phase obtained is a stable gapless boson liquid phase, with algebraic boson density correlations. The stability of this phase is protected against the instanton effect and superfluidity by self-duality and large gauge symmetries on both sides of the duality. The gapless collective excitations of this phase closely resemble the graviton, although they have a soft w ˜ k2 dispersion relation. The dynamics of this novel phase is described by a new set of Maxwell's equations.

Thermal and electrical transport across a magnetic quantum critical point.

PubMed

Pfau, Heike; Hartmann, Stefanie; Stockert, Ulrike; Sun, Peijie; Lausberg, Stefan; Brando, Manuel; Friedemann, Sven; Krellner, Cornelius; Geibel, Christoph; Wirth, Steffen; Kirchner, Stefan; Abrahams, Elihu; Si, Qimiao; Steglich, Frank

2012-04-25

A quantum critical point (QCP) arises when a continuous transition between competing phases occurs at zero temperature. Collective excitations at magnetic QCPs give rise to metallic properties that strongly deviate from the expectations of Landau's Fermi-liquid description, which is the standard theory of electron correlations in metals. Central to this theory is the notion of quasiparticles, electronic excitations that possess the quantum numbers of the non-interacting electrons. Here we report measurements of thermal and electrical transport across the field-induced magnetic QCP in the heavy-fermion compound YbRh(2)Si(2) (refs 2, 3). We show that the ratio of the thermal to electrical conductivities at the zero-temperature limit obeys the Wiedemann-Franz law for magnetic fields above the critical field at which the QCP is attained. This is also expected for magnetic fields below the critical field, where weak antiferromagnetic order and a Fermi-liquid phase form below 0.07 K (at zero field). At the critical field, however, the low-temperature electrical conductivity exceeds the thermal conductivity by about 10 per cent, suggestive of a non-Fermi-liquid ground state. This apparent violation of the Wiedemann-Franz law provides evidence for an unconventional type of QCP at which the fundamental concept of Landau quasiparticles no longer holds. These results imply that Landau quasiparticles break up, and that the origin of this disintegration is inelastic scattering associated with electronic quantum critical fluctuations--these insights could be relevant to understanding other deviations from Fermi-liquid behaviour frequently observed in various classes of correlated materials.

Photoluminescence investigation of type-II GaSb/GaAs quantum dots grown by liquid phase epitaxy

NASA Astrophysics Data System (ADS)

Wang, Yang; Hu, Shuhong; Xie, Hao; Lin, Hongyu; lu, Hongbo; Wang, Chao; Sun, Yan; Dai, Ning

2018-06-01

GaSb quantum dots (QDs) with an areal density of ∼1 × 1010 cm-2 are successfully grown by the modified (rapid slider) liquid phase epitaxy technique. The morphology of the QDs has been investigated by scanning electron microscope (SEM) and atom force microscope (AFM). The power-dependence and temperature-dependence photoluminescence (PL) spectra have been studied. The bright room-temperature PL suggests a good luminescence quality of GaSb QDs/GaAs matrix system. The type-II alignment of the GaSb QDs/GaAs matrix system is verified by the blue-shift of the QDs peak with the increase of excitation power. From the temperature-dependence PL spectra, the activation energy of QDs is determined to be 111 meV.

Dynamics of a quantum spin liquid beyond integrability: The Kitaev-Heisenberg-Γ model in an augmented parton mean-field theory

NASA Astrophysics Data System (ADS)

Knolle, Johannes; Bhattacharjee, Subhro; Moessner, Roderich

2018-04-01

We present an augmented parton mean-field theory which (i) reproduces the exact ground state, spectrum, and dynamics of the quantum spin-liquid phase of Kitaev's honeycomb model, and (ii) is amenable to the inclusion of integrability breaking terms, allowing a perturbation theory from a controlled starting point. Thus, we exemplarily study dynamical spin correlations of the honeycomb Kitaev quantum spin liquid within the K -J -Γ model, which includes Heisenberg and symmetric-anisotropic (pseudodipolar) interactions. This allows us to trace changes of the correlations in the regime of slowly moving fluxes, where the theory captures the dominant deviations when integrability is lost. These include an asymmetric shift together with a broadening of the dominant peak in the response as a function of frequency, the generation of further-neighbor correlations and their structure in real and spin space, and a resulting loss of an approximate rotational symmetry of the structure factor in reciprocal space. We discuss the limitations of this approach and also view the neutron-scattering experiments on the putative proximate quantum spin-liquid material α -RuCl3 in the light of the results from this extended parton theory.

Competing Spin Liquids and Hidden Spin-Nematic Order in Spin Ice with Frustrated Transverse Exchange

NASA Astrophysics Data System (ADS)

Taillefumier, Mathieu; Benton, Owen; Yan, Han; Jaubert, L. D. C.; Shannon, Nic

2017-10-01

Frustration in magnetic interactions can give rise to disordered ground states with subtle and beautiful properties. The spin ices Ho2 Ti2 O7 and Dy2 Ti2 O7 exemplify this phenomenon, displaying a classical spin-liquid state, with fractionalized magnetic-monopole excitations. Recently, there has been great interest in closely related "quantum spin-ice" materials, following the realization that anisotropic exchange interactions could convert spin ice into a massively entangled, quantum spin liquid, where magnetic monopoles become the charges of an emergent quantum electrodynamics. Here we show that even the simplest model of a quantum spin ice, the XXZ model on the pyrochlore lattice, can realize a still-richer scenario. Using a combination of classical Monte Carlo simulation, semiclassical molecular-dynamics simulation, and analytic field theory, we explore the properties of this model for frustrated transverse exchange. We find not one, but three competing forms of spin liquid, as well as a phase with hidden, spin-nematic order. We explore the experimental signatures of each of these different states, making explicit predictions for inelastic neutron scattering. These results show an intriguing similarity to experiments on a range of pyrochlore oxides.

Topological spinon bands and vison excitations in spin-orbit coupled quantum spin liquids

NASA Astrophysics Data System (ADS)

Sonnenschein, Jonas; Reuther, Johannes

2017-12-01

Spin liquids are exotic quantum states characterized by the existence of fractional and deconfined quasiparticle excitations, referred to as spinons and visons. Their fractional nature establishes topological properties such as a protected ground-state degeneracy. This work investigates spin-orbit coupled spin liquids where, additionally, topology enters via nontrivial band structures of the spinons. We revisit the Z2 spin-liquid phases that have recently been identified in a projective symmetry-group analysis on the square lattice when spin-rotation symmetry is maximally lifted [J. Reuther et al., Phys. Rev. B 90, 174417 (2014), 10.1103/PhysRevB.90.174417]. We find that in the case of nearest-neighbor couplings only, Z2 spin liquids on the square lattice always exhibit trivial spinon bands. Adding second-neighbor terms, the simplest projective symmetry-group solution closely resembles the Bernevig-Hughes-Zhang model for topological insulators. Assuming that the emergent gauge fields are static, we investigate vison excitations, which we confirm to be deconfined in all investigated spin phases. Particularly, if the spinon bands are topological, the spinons and visons form bound states consisting of several spinon-Majorana zero modes coupling to one vison. The existence of such zero modes follows from an exact mapping between these spin phases and topological p +i p superconductors with vortices. We propose experimental probes to detect such states in real materials.

Gapless bosonic excitation without symmetry breaking: An algebraic spin liquid with soft gravitons

NASA Astrophysics Data System (ADS)

Xu, Cenke

2006-12-01

A quantum ground state of matter is realized in a bosonic model on a three-dimensional fcc lattice with emergent low energy excitations. The phase obtained is a stable gapless boson liquid phase, with algebraic boson density correlations. The stability of this phase is protected against the instanton effect and superfluidity by self-duality and large gauge symmetries on both sides of the duality. The gapless collective excitations of this phase closely resemble the graviton, although they have a soft ω˜k2 dispersion relation. There are three branches of gapless excitations in this phase, one of which is gapless scalar trace mode, the other two have the same polarization and gauge symmetries as the gravitons. The dynamics of this phase is described by a set of Maxwell’s equations. The defects carrying gauge charges can drive the system into the superfluid order when the defects are condensed; also the topological defects are coupled to the dual gauge field in the same manner as the charge defects couple to the original gauge field, after the condensation of the topological defects, the system is driven into the Mott insulator phase. In the two-dimensional case, the gapless soft graviton as well as the algebraic liquid phase are destroyed by the vertex operators in the dual theory, and the stripe order is most likely to take place close to the two-dimensional quantum critical point at which the vertex operators are tuned to zero.

Quantum mechanical force fields for condensed phase molecular simulations

NASA Astrophysics Data System (ADS)

Giese, Timothy J.; York, Darrin M.

2017-09-01

Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, suffer from two major drawbacks. First, they are often too computationally intensive to practically apply to large systems over long time scales, limiting their scope of application. Second, there remain challenges for these models to obtain the necessary level of accuracy for weak non-bonded interactions to obtain quantitative accuracy for a wide range of condensed phase properties. Quantum mechanical force fields (QMFFs) provide a potential solution to both of these limitations. In this review, we address recent advances in the development of QMFFs for condensed phase simulations. In particular, we examine the development of QMFF models using both approximate and ab initio density-functional models, the treatment of short-ranged non-bonded and long-ranged electrostatic interactions, and stability issues in molecular dynamics calculations. Example calculations are provided for crystalline systems, liquid water, and ionic liquids. We conclude with a perspective for emerging challenges and future research directions.

Dynamical Reduction of the Dimensionality of Exchange Interactions and the "Spin-Liquid" Phase of κ-(BEDT-TTF)_{2}X.

PubMed

Powell, B J; Kenny, E P; Merino, J

2017-08-25

We show that the anisotropy of the effective spin model for the dimer Mott insulator phase of κ-(BEDT-TTF)_{2}X salts is dramatically different from that of the underlying tight-binding model. Intradimer quantum interference results in a model of coupled spin chains, where frustrated interchain interactions suppress long-range magnetic order. Thus, we argue, the "spin liquid" phase observed in some of these materials is a remnant of the Tomonaga-Luttinger physics of a single chain. This is consistent with previous experiments and resolves some outstanding puzzles.

Variational transition state theory: theoretical framework and recent developments.

PubMed

Bao, Junwei Lucas; Truhlar, Donald G

2017-12-11

This article reviews the fundamentals of variational transition state theory (VTST), its recent theoretical development, and some modern applications. The theoretical methods reviewed here include multidimensional quantum mechanical tunneling, multistructural VTST (MS-VTST), multi-path VTST (MP-VTST), both reaction-path VTST (RP-VTST) and variable reaction coordinate VTST (VRC-VTST), system-specific quantum Rice-Ramsperger-Kassel theory (SS-QRRK) for predicting pressure-dependent rate constants, and VTST in the solid phase, liquid phase, and enzymes. We also provide some perspectives regarding the general applicability of VTST.

Novel Phases from the Interplay of Topology and Strong Interactions

NASA Astrophysics Data System (ADS)

Hickey, Ciaran

In recent years, topology has become increasingly prevalent in condensed matter physics. It has allowed us to understand, and even predict, a variety of striking and remarkable physical phenomena. The study of strongly interacting systems has similarly lavished us with a diverse range of exotic phases and unconventional transitions, many of which are still poorly understood. In this thesis we will explore the interplay between topology and interactions in an effort to uncover new and novel phases. First we study how interactions impact the quantum phase transition between a topologically non-trivial phase and a trivial phase. The combination of interactions and the low-energy degrees of freedom associated with the transition leads to the emergence of a dome of lattice-symmetry breaking nematic order. Such behaviour is reminiscent of a number of strongly correlated electronic systems. We move on to study the strongly interacting limit of one of the earliest and best-known non-interacting topological phases, Haldane's model of a Chern insulator. Recently realized with ultracold atoms in a shaken optical lattice, the model has a non-trivial topological invariant associated with its band structure. In the strongly interacting limit the spin degrees of freedom are all that survive and we find a rich phase diagram of magnetically ordered phases, using a combination of both classical and quantum techniques. Supplementing the model with an additional term we can 'quantum-melt' one of these ordered states to produce a disordered, liquid state that we positively identify as a chiral spin liquid, a highly entangled state of matter with fractionalised excitations. We generalise this mechanism to other two dimensional lattices, uncovering a possible unifying framework with which to understand the emergence of chiral spin liquids in lattice spin models. Finally, motivated by groundbreaking experiments in the ultracold atoms community, we investigate a model of two-component bosons with an artificial spin-orbit coupling. The interplay between the lattice, interactions and spin-orbit coupling produces a variety of unusual superfluid phases. Using a novel Monte Carlo technique we reveal the finite temperature phase diagram that appears close to the Mott transition.

Discovery of Emergent Photon and Monopoles in a Quantum Spin Liquid

NASA Astrophysics Data System (ADS)

Tokiwa, Yoshifumi; Yamashita, Takuya; Terazawa, Daiki; Kimura, Kenta; Kasahara, Yuichi; Onishi, Takafumi; Kato, Yasuyuki; Halim, Mario; Gegenwart, Philipp; Shibauchi, Takasada; Nakatsuji, Satoru; Moon, Eun-Gook; Matsuda, Yuji

2018-06-01

Quantum spin liquid (QSL) is an exotic quantum phase of matter whose ground state is quantum-mechanically entangled without any magnetic ordering. A central issue concerns emergent excitations that characterize QSLs, which are hypothetically associated with quasiparticle fractionalization and topological order. Here we report highly unusual heat conduction generated by the spin degrees of freedom in a QSL state of the pyrochlore magnet Pr2Zr2O7, which hosts spin-ice correlations with strong quantum fluctuations. The thermal conductivity in high temperature regime exhibits a two-gap behavior, which is consistent with the gapped excitations of magnetic (M-) and electric monopoles (E-particles). At very low temperatures below 200 mK, the thermal conductivity unexpectedly shows a dramatic enhancement, which well exceeds purely phononic conductivity, demonstrating the presence of highly mobile spin excitations. This new type of excitations can be attributed to emergent photons (ν-particle), coherent gapless spin excitations in a spin-ice manifold.

Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

John, Christopher; Spura, Thomas; Habershon, Scott; Kühne, Thomas D.

2016-04-01

We present a simple and accurate computational method which facilitates ab initio path-integral molecular dynamics simulations, where the quantum-mechanical nature of the nuclei is explicitly taken into account, at essentially no additional computational cost in comparison to the corresponding calculation using classical nuclei. The predictive power of the proposed quantum ring-polymer contraction method is demonstrated by computing various static and dynamic properties of liquid water at ambient conditions using density functional theory. This development will enable routine inclusion of nuclear quantum effects in ab initio molecular dynamics simulations of condensed-phase systems.

Strange metal transport realized by gauge/gravity duality.

PubMed

Faulkner, Thomas; Iqbal, Nabil; Liu, Hong; McGreevy, John; Vegh, David

2010-08-27

Fermi liquid theory explains the thermodynamic and transport properties of most metals. The so-called non-Fermi liquids deviate from these expectations and include exotic systems such as the strange metal phase of cuprate superconductors and heavy fermion materials near a quantum phase transition. We used the anti-de-Sitter/conformal field theory correspondence to identify a class of non-Fermi liquids; their low-energy behavior is found to be governed by a nontrivial infrared fixed point, which exhibits nonanalytic scaling behavior only in the time direction. For some representatives of this class, the resistivity has a linear temperature dependence, as is the case for strange metals.

Backflow and dissipation during the quantum decay of a metastable Fermi liquid

NASA Astrophysics Data System (ADS)

Iida, Kei

1999-02-01

The particle current in a metastable Fermi liquid against a first-order phase transition is calculated at zero temperature. During fluctuations of a droplet of the stable phase, in accordance with the conservation law, not only does an unperturbed current arise from the continuity at the boundary, but a backflow is induced by the density response. Quasiparticles carrying these currents are scattered by the boundary, yielding a dissipative backflow around the droplet. An energy of the hydrodynamic mass flow of the liquid and a friction force exerted on the droplet by the quasiparticles have been obtained in terms of a potential of their interaction with the droplet.

Water's quantum structures and life.

PubMed

Germano, Roberto

2015-01-01

This article discusses several clues pointing to the spontaneous quantum origin of the recently discovered dissipative structures induced in liquid water by low-energy physical perturbations. These structures show an astonishing permanence, so much that large ponderal quantities of supramolecular aggregates of water - at ambient pressure and temperature - subsist even in the solid phase, strongly suggesting the possibility that these structures are the matrix itself of life.

Modified spin-wave theory with ordering vector optimization: spatially anisotropic triangular lattice and J1J2J3 model with Heisenberg interactions

NASA Astrophysics Data System (ADS)

Hauke, Philipp; Roscilde, Tommaso; Murg, Valentin; Cirac, J. Ignacio; Schmied, Roman

2011-07-01

We study the ground-state phases of the S=1/2 Heisenberg quantum antiferromagnet on the spatially anisotropic triangular lattice (SATL) and on the square lattice with up to next-next-nearest-neighbor coupling (the J1J2J3 model), making use of Takahashi's modified spin-wave (MSW) theory supplemented by ordering vector optimization. We compare the MSW results with exact diagonalization and projected-entangled-pair-states calculations, demonstrating their qualitative and quantitative reliability. We find that the MSW theory correctly accounts for strong quantum effects on the ordering vector of the magnetic phases of the models under investigation: in particular, collinear magnetic order is promoted at the expense of non-collinear (spiral) order, and several spiral states that are stable at the classical level disappear from the quantum phase diagram. Moreover, collinear states and non-collinear ones are never connected continuously, but they are separated by parameter regions in which the MSW theory breaks down, signaling the possible appearance of a non-magnetic ground state. In the case of the SATL, a large breakdown region appears also for weak couplings between the chains composing the lattice, suggesting the possible occurrence of a large non-magnetic region continuously connected with the spin-liquid state of the uncoupled chains. This shows that the MSW theory is—despite its apparent simplicity—a versatile tool for finding candidate regions in the case of spin-liquid phases, which are among prime targets for relevant quantum simulations.

Quantum origins of moment fragmentation in Nd2Zr2O7

NASA Astrophysics Data System (ADS)

Benton, Owen

2016-09-01

Spin-liquid states are often described as the antithesis of magnetic order. Recently, however, it has been proposed that in certain frustrated magnets the magnetic degrees of freedom may "fragment" in such a way as to give rise to a coexistence of spin liquid and ordered phases. Recent neutron-scattering results [S. Petit, E. Lhotel, B. Canals, M. Ciomaga Hatnean, J. Ollivier, H. Muttka, E. Ressouche, A. R. Wildes, M. R. Lees, and G. Balakrishnan, Nat. Phys. 12, 746 (2016), 10.1038/nphys3710] suggest that this scenario may be realized in the pyrochlore magnet Nd2Zr2O7 . These observations show the characteristic pinch-point features of a Coulombic spin liquid occurring alongside the Bragg peaks of an "all-in-all-out" ordered state. Here we explain the quantum origins of this apparent magnetic moment fragmentation, within the framework of a quantum model of nearest-neighbor exchange, appropriate to Nd2Zr2O7 . This model is able to capture both the ground-state order and the pinch points observed at finite energy. The observed fragmentation arises due to the combination of the unusual symmetry properties of the Nd3 + ionic wave functions and the structure of equations of motion of the magnetic degrees of freedom. The results of our analysis suggest that Nd2Zr2O7 is proximate to a U (1 ) spin-liquid phase and is a promising candidate for the observation of a Higgs transition in a magnetic system.

Quantum Multicriticality near the Dirac-Semimetal to Band-Insulator Critical Point in Two Dimensions: A Controlled Ascent from One Dimension

NASA Astrophysics Data System (ADS)

Roy, Bitan; Foster, Matthew S.

2018-01-01

We compute the effects of generic short-range interactions on gapless electrons residing at the quantum critical point separating a two-dimensional Dirac semimetal and a symmetry-preserving band insulator. The electronic dispersion at this critical point is anisotropic (Ek=±√{v2kx2+b2ky2 n } with n =2 ), which results in unconventional scaling of thermodynamic and transport quantities. Because of the vanishing density of states [ϱ (E )˜|E |1 /n ], this anisotropic semimetal (ASM) is stable against weak short-range interactions. However, for stronger interactions, the direct Dirac-semimetal to band-insulator transition can either (i) become a fluctuation-driven first-order transition (although unlikely in a particular microscopic model considered here, the anisotropic honeycomb lattice extended Hubbard model) or (ii) get avoided by an intervening broken-symmetry phase. We perform a controlled renormalization group analysis with the small parameter ɛ =1 /n , augmented with a 1 /n expansion (parametrically suppressing quantum fluctuations in the higher dimension) by perturbing away from the one-dimensional limit, realized by setting ɛ =0 and n →∞ . We identify charge density wave (CDW), antiferromagnet (AFM), and singlet s -wave superconductivity as the three dominant candidates for broken symmetry. The onset of any such order at strong coupling (˜ɛ ) takes place through a continuous quantum phase transition across an interacting multicritical point, where the ordered phase, band insulator, Dirac, and anisotropic semimetals meet. We also present the phase diagram of an extended Hubbard model for the ASM, obtained via the controlled deformation of its counterpart in one dimension. The latter displays spin-charge separation and instabilities to CDW, spin density wave, and Luther-Emery liquid phases at arbitrarily weak coupling. The spin density wave and Luther-Emery liquid phases deform into pseudospin SU(2)-symmetric quantum critical points separating the ASM from the AFM and superconducting orders, respectively. Our phase diagram shows an intriguing interplay among CDW, AFM, and s -wave paired states that can be germane for a uniaxially strained optical honeycomb lattice for ultracold fermion atoms, or the organic compound α -(BEDT -TTF )2I3 .

Quantum phase transition and protected ideal transport in a Kondo chain

DOE PAGES

Tsvelik, A. M.; Yevtushenko, O. M.

2015-11-30

We study the low energy physics of a Kondo chain where electrons from a one-dimensional band interact with magnetic moments via an anisotropic exchange interaction. It is demonstrated that the anisotropy gives rise to two different phases which are separated by a quantum phase transition. In the phase with easy plane anisotropy, Z2 symmetry between sectors with different helicity of the electrons is broken. As a result, localization effects are suppressed and the dc transport acquires (partial) symmetry protection. This effect is similar to the protection of the edge transport in time-reversal invariant topological insulators. The phase with easy axismore » anisotropy corresponds to the Tomonaga-Luttinger liquid with a pronounced spin-charge separation. The slow charge density wave modes have no protection against localizatioin.« less

Concurrence and fidelity of a Bose-Fermi mixture in a one-dimensional optical lattice.

PubMed

Ning, Wen-Qiang; Gu, Shi-Jian; Chen, Yu-Guang; Wu, Chang-Qin; Lin, Hai-Qing

2008-06-11

We study the ground-state fidelity and entanglement of a Bose-Fermi mixture loaded in a one-dimensional optical lattice. It is found that the fidelity is able to signal quantum phase transitions between the Luttinger liquid phase, the density-wave phase, and the phase separation state of the system, and the concurrence, as a measure of the entanglement, can be used to signal the transition between the density-wave phase and the Ising phase.

Nematic fluctuations balancing the zoo of phases in half-filled quantum Hall systems

NASA Astrophysics Data System (ADS)

Mesaros, Andrej; Lawler, Michael J.; Kim, Eun-Ah

2017-03-01

Half-filled Landau levels form a zoo of strongly correlated phases. These include non-Fermi-liquids (NFLs), fractional quantum Hall (FQH) states, nematic phases, and FQH nematic phases. This diversity begs the following question: what keeps the balance between the seemingly unrelated phases? The answer is elusive because the Halperin-Lee-Read description that offers a natural departure point is inherently strongly coupled. However, the observed nematic phases suggest that nematic fluctuations play an important role. To study this possibility, we apply a recently formulated controlled double-expansion approach in large-N composite fermion flavors and small ɛ nonanalytic bosonic action to the case with both gauge and nematic boson fluctuations. In the vicinity of a nematic quantum critical line, we find that depending on the amount of screening of the gauge- and nematic-mediated interactions controlled by ɛ 's, the renormalization-group flow points to all four mentioned correlated phases. When pairing preempts the nematic phase, NFL behavior is possible at temperatures above the pairing transition. We conclude by discussing measurements at low tilt angles, which could reveal the stabilization of the FQH phase by nematic fluctuations.

Statistical Mechanics and Applications in Condensed Matter

NASA Astrophysics Data System (ADS)

Di Castro, Carlo; Raimondi, Roberto

2015-08-01

Preface; 1. Thermodynamics: a brief overview; 2. Kinetics; 3. From Boltzmann to Gibbs; 4. More ensembles; 5. The thermodynamic limit and its thermodynamic stability; 6. Density matrix and quantum statistical mechanics; 7. The quantum gases; 8. Mean-field theories and critical phenomena; 9. Second quantization and Hartree-Fock approximation; 10. Linear response and fluctuation-dissipation theorem in quantum systems: equilibrium and small deviations; 11. Brownian motion and transport in disordered systems; 12. Fermi liquids; 13. The Landau theory of the second order phase transitions; 14. The Landau-Wilson model for critical phenomena; 15. Superfluidity and superconductivity; 16. The scaling theory; 17. The renormalization group approach; 18. Thermal Green functions; 19. The microscopic foundations of Fermi liquids; 20. The Luttinger liquid; 21. Quantum interference effects in disordered electron systems; Appendix A. The central limit theorem; Appendix B. Some useful properties of the Euler Gamma function; Appendix C. Proof of the second theorem of Yang and Lee; Appendix D. The most probable distribution for the quantum gases; Appendix E. Fermi-Dirac and Bose-Einstein integrals; Appendix F. The Fermi gas in a uniform magnetic field: Landau diamagnetism; Appendix G. Ising and gas-lattice models; Appendix H. Sum over discrete Matsubara frequencies; Appendix I. Hydrodynamics of the two-fluid model of superfluidity; Appendix J. The Cooper problem in the theory of superconductivity; Appendix K. Superconductive fluctuations phenomena; Appendix L. Diagrammatic aspects of the exact solution of the Tomonaga Luttinger model; Appendix M. Details on the theory of the disordered Fermi liquid; References; Author index; Index.

Quantum phase transition and non-Fermi liquid behavior in Fe1-x Co x Si (x ⩾ 0.7).

PubMed

Samatham, S Shanmukharao; Suresh, K G; Ganesan, V

2018-04-11

We report on the nature of electron correlations in Fe 1-x Co x Si ([Formula: see text]) using combined results of magnetization, specific heat and transport properties. Doping driven quantum critical point is observed to occur at [Formula: see text]. The magnetically unstable regime is identified to be centered around [Formula: see text] [[Formula: see text

Energy partitioning in polyatomic chemical reactions: Quantum state resolved studies of highly exothermic atom abstraction reactions from molecules in the gas phase and at the gas-liquid interface

NASA Astrophysics Data System (ADS)

Zolot, Alexander M.

This thesis recounts a series of experiments that interrogate the dynamics of elementary chemical reactions using quantum state resolved measurements of gas-phase products. The gas-phase reactions F + HCl → HF + Cl and F + H2O → HF + OH are studied using crossed supersonic jets under single collision conditions. Infrared (IR) laser absorption probes HF product with near shot-noise limited sensitivity and high resolution, capable of resolving rovibrational states and Doppler lineshapes. Both reactions yield inverted vibrational populations. For the HCl reaction, strongly bimodal rotational distributions are observed, suggesting microscopic branching of the reaction mechanism. Alternatively, such structure may result from a quantum-resonance mediated reaction similar to those found in the well-characterized F + HD system. For the H2O reaction, a small, but significant, branching into v = 2 is particularly remarkable because this manifold is accessible only via the additional center of mass collision energy in the crossed jets. Rotationally hyperthermal HF is also observed. Ab initio calculations of the transition state geometry suggest mechanisms for both rotational and vibrational excitation. Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic jet of F atoms with liquid squalane (C30H62), a low vapor pressure hydrocarbon compatible with the high vacuum environment. IR spectroscopy provides absolute HF( v,J) product densities and Doppler resolved velocity component distributions perpendicular to the surface normal. Compared to analogous gas-phase F + hydrocarbon reactions, the liquid surface is a more effective "heat sink," yet vibrationally excited populations reveal incomplete thermal accommodation with the surface. Non-Boltzmann J-state populations and hot Doppler lineshapes that broaden with HF excitation indicate two competing scattering mechanisms: (i) a direct reactive scattering channel, whereby newly formed molecules leave the surface without equilibrating, and (ii) a partially accommodated fraction that shares vibrational, rotational, and translational energy with the liquid surface before returning to the gas phase. Finally, a velocity map ion imaging apparatus has been implemented to investigate reaction dynamics in crossed molecular beams. Resonantly enhanced multiphoton ionization (REMPI) results in rotational, vibrational, and electronic state selectivity. Velocity map imaging measurements provide differential cross sections and information about the internal energy distribution of the undetected collision partner.

Dirac points, spinons and spin liquid in twisted bilayer graphene

NASA Astrophysics Data System (ADS)

Irkhin, V. Yu.; Skryabin, Yu. N.

2018-05-01

Twisted bilayer graphene is an excellent example of highly correlated system demonstrating a nearly flat electron band, the Mott transition and probably a spin liquid state. Besides the one-electron picture, analysis of Dirac points is performed in terms of spinon Fermi surface in the limit of strong correlations. Application of gauge field theory to describe deconfined spin liquid phase is treated. Topological quantum transitions, including those from small to large Fermi surface in the presence of van Hove singularities, are discussed.

Frustrated Magnetism of Dipolar Molecules on a Square Optical Lattice: Prediction of a Quantum Paramagnetic Ground State

NASA Astrophysics Data System (ADS)

Zou, Haiyuan; Zhao, Erhai; Liu, W. Vincent

2017-08-01

Motivated by the experimental realization of quantum spin models of polar molecule KRb in optical lattices, we analyze the spin 1 /2 dipolar Heisenberg model with competing anisotropic, long-range exchange interactions. We show that, by tilting the orientation of dipoles using an external electric field, the dipolar spin system on square lattice comes close to a maximally frustrated region similar, but not identical, to that of the J1-J2 model. This provides a simple yet powerful route to potentially realize a quantum spin liquid without the need for a triangular or kagome lattice. The ground state phase diagrams obtained from Schwinger-boson and spin-wave theories consistently show a spin disordered region between the Néel, stripe, and spiral phase. The existence of a finite quantum paramagnetic region is further confirmed by an unbiased variational ansatz based on tensor network states and a tensor renormalization group.

Quantum Spin Ice under a [111] Magnetic Field: From Pyrochlore to Kagome

NASA Astrophysics Data System (ADS)

Bojesen, Troels Arnfred; Onoda, Shigeki

2017-12-01

Quantum spin ice, modeled for magnetic rare-earth pyrochlores, has attracted great interest for hosting a U(1) quantum spin liquid, which involves spin-ice monopoles as gapped deconfined spinons, as well as gapless excitations analogous to photons. However, the global phase diagram under a [111] magnetic field remains open. Here we uncover by means of unbiased quantum Monte Carlo simulations that a supersolid of monopoles, showing both a superfluidity and a partial ionization, intervenes the kagome spin ice and a fully ionized monopole insulator, in contrast to classical spin ice where a direct discontinuous phase transition takes place. We also show that on cooling, kagome spin ice evolves towards a valence-bond solid similar to what appears in the associated kagome lattice model [S. V. Isakov et al., Phys. Rev. Lett. 97, 147202 (2006), 10.1103/PhysRevLett.97.147202]. Possible relevance to experiments is discussed.

Role of confinements on the melting of Wigner molecules in quantum dots

NASA Astrophysics Data System (ADS)

Bhattacharya, Dyuti; Filinov, Alexei V.; Ghosal, Amit; Bonitz, Michael

2016-03-01

We explore the stability of a Wigner molecule (WM) formed in confinements with different geometries emulating the role of disorder and analyze the melting (or crossover) of such a system. Building on a recent calculation [D. Bhattacharya, A. Ghosal, Eur. Phys. J. B 86, 499 (2013)] that discussed the effects of irregularities on the thermal crossover in classical systems, we expand our studies in the untested territory by including both the effects of quantum fluctuations and of disorder. Our results, using classical and quantum (path integral) Monte Carlo techniques, unfold complementary mechanisms that drive the quantum and thermal crossovers in a WM and show that the symmetry of the confinement plays no significant role in determining the quantum crossover scale n X . This is because the zero-point motion screens the boundary effects within short distances. The phase diagram as a function of thermal and quantum fluctuations determined from independent criteria is unique, and shows "melting" from the WM to both the classical and quantum "liquids". An intriguing signature of weakening liquidity with increasing temperature, T, is found in the extreme quantum regime. The crossover is associated with production of defects. However, these defects appear to play distinct roles in driving the quantum and thermal "melting". Our analyses carry serious implications for a variety of experiments on many-particle systems - semiconductor heterostructure quantum dots, trapped ions, nanoclusters, colloids and complex plasma.

Quantum criticality and universal scaling of strongly attractive spin-imbalanced Fermi gases in a one-dimensional harmonic trap

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

Yin Xiangguo; Chen Shu; Guan Xiwen

2011-07-15

We investigate quantum criticality and universal scaling of strongly attractive Fermi gases confined in a one-dimensional harmonic trap. We demonstrate from the power-law scaling of the thermodynamic properties that current experiments on this system are capable of measuring universal features at quantum criticality, such as universal scaling and Tomonaga-Luttinger liquid physics. The results also provide insights on recent measurements of key features of the phase diagram of a spin-imbalanced atomic Fermi gas [Y. Liao et al., Nature (London) 467, 567 (2010)] and point to further study of quantum critical phenomena in ultracold atomic Fermi gases.

Experimental realization of universal geometric quantum gates with solid-state spins.

PubMed

Zu, C; Wang, W-B; He, L; Zhang, W-G; Dai, C-Y; Wang, F; Duan, L-M

2014-10-02

Experimental realization of a universal set of quantum logic gates is the central requirement for the implementation of a quantum computer. In an 'all-geometric' approach to quantum computation, the quantum gates are implemented using Berry phases and their non-Abelian extensions, holonomies, from geometric transformation of quantum states in the Hilbert space. Apart from its fundamental interest and rich mathematical structure, the geometric approach has some built-in noise-resilience features. On the experimental side, geometric phases and holonomies have been observed in thermal ensembles of liquid molecules using nuclear magnetic resonance; however, such systems are known to be non-scalable for the purposes of quantum computing. There are proposals to implement geometric quantum computation in scalable experimental platforms such as trapped ions, superconducting quantum bits and quantum dots, and a recent experiment has realized geometric single-bit gates in a superconducting system. Here we report the experimental realization of a universal set of geometric quantum gates using the solid-state spins of diamond nitrogen-vacancy centres. These diamond defects provide a scalable experimental platform with the potential for room-temperature quantum computing, which has attracted strong interest in recent years. Our experiment shows that all-geometric and potentially robust quantum computation can be realized with solid-state spin quantum bits, making use of recent advances in the coherent control of this system.

Microscopic Studies of Quantum Phase Transitions in Optical Lattices

NASA Astrophysics Data System (ADS)

Bakr, Waseem S.

2011-12-01

In this thesis, I report on experiments that microscopically probe quantum phase transitions of ultracold atoms in optical lattices. We have developed a "quantum gas microscope" that allowed, for the first time, optical imaging and manipulation of single atoms in a quantum-degenerate gas on individual sites of an optical lattice. This system acts as a quantum simulator of strongly correlated materials, which are currently the subject of intense research because of the technological potential of high--T c superconductors and spintronic materials. We have used our microscope to study the superfluid to Mott insulator transition in bosons and a magnetic quantum phase transition in a spin system. In our microscopic study of the superfluid-insulator transition, we have characterized the on-site number statistics in a space- and time-resolved manner. We observed Mott insulators with fidelities as high as 99%, corresponding to entropies of 0.06kB per particle. We also measured local quantum dynamics and directly imaged the shell structure of the Mott insulator. I report on the first quantum magnetism experiments in optical lattices. We have realized a quantum Ising chain in a magnetic field, and observed a quantum phase transition between a paramagnet and antiferromagnet. We achieved strong spin interactions by encoding spins in excitations of a Mott insulator in a tilted lattice. We detected the transition by measuring the total magnetization of the system across the transition using in-situ measurements as well as the Neel ordering in the antiferromagnetic state using noise-correlation techniques. We characterized the dynamics of domain formation in the system. The spin mapping introduced opens up a new path to realizing more exotic states in optical lattices including spin liquids and quantum valence bond solids. As our system sizes become larger, simulating their physics on classical computers will require exponentially larger resources because of entanglement build-up near a quantum phase transition. We have demonstrated a quantum simulator in which all degrees of freedom can be read out microscopically, allowing the simulation of quantum many-body systems with manageable resources. More generally, the ability to image and manipulate individual atoms in optical lattices opens an avenue towards scalable quantum computation.

Fractional quantum Hall systems near nematicity: Bimetric theory, composite fermions, and Dirac brackets

NASA Astrophysics Data System (ADS)

Nguyen, Dung Xuan; Gromov, Andrey; Son, Dam Thanh

2018-05-01

We perform a detailed comparison of the Dirac composite fermion and the recently proposed bimetric theory for a quantum Hall Jain states near half filling. By tuning the composite Fermi liquid to the vicinity of a nematic phase transition, we find that the two theories are equivalent to each other. We verify that the single mode approximation for the response functions and the static structure factor becomes reliable near the phase transition. We show that the dispersion relation of the nematic mode near the phase transition can be obtained from the Dirac brackets between the components of the nematic order parameter. The dispersion is quadratic at low momenta and has a magnetoroton minimum at a finite momentum, which is not related to any nearby inhomogeneous phase.

Theory of a quantum spin liquid in the hydrogen-intercalated honeycomb iridate H3LiIr2O6

NASA Astrophysics Data System (ADS)

Slagle, Kevin; Choi, Wonjune; Chern, Li Ern; Kim, Yong Baek

2018-03-01

We propose a theoretical model for a gapless spin liquid phase that may have been observed in a recent experiment on H3LiIr2O6 . Despite the insulating and nonmagnetic nature of the material, the specific heat coefficient C /T ˜1 /√{T } in zero magnetic field and C /T ˜T /B3 /2 with finite magnetic field B have been observed. In addition, the NMR relaxation rate shows 1 /(T1T ) ˜(C/T ) 2 . Motivated by the fact that the interlayer/in-plane lattice parameters are reduced/elongated by the hydrogen intercalation of the parent compound Li2IrO3 , we consider four layers of the Kitaev honeycomb lattice model with additional interlayer exchange interactions. It is shown that the resulting spin liquid excitations reside mostly in the top and bottom layers of such a layered structure and possess a quartic dispersion. In an applied magnetic field, each quartic mode is split into four Majorana cones with the velocity v ˜B3 /4 . We suggest that the spin liquid phase in these "defect" layers, placed between different stacking patterns of the honeycomb layers, can explain the major phenomenology of the experiment, which can be taken as evidence that the Kitaev interaction plays the primary role in the formation of a quantum spin liquid in this material.

Nonclassical effects in liquid-phase nuclear magnetic resonance spectra of 9-methyltriptycene derivatives

NASA Astrophysics Data System (ADS)

Czerski, I.; Bernatowicz, P.; Jaźwiński, J.; Szymański, S.

2003-04-01

The dynamics of strongly hindered methyl groups in 9-methyltriptycene derivatives, monitored by liquid-phase nuclear magnetic resonance spectra, were investigated using an iterative, least-squares method of line shape analysis. For two of the compounds, apart from nonclassical effects in the stochastic dynamics, anomalously strong dependence on temperature (ca. 0.05 and 0.08 Hz/K) of the J coupling between the methyl protons was observed. The latter effect was attributed to the occurrence of coherent quantum tunneling of the methyl rotor. For methyl group, this would be the first observation of coherent tunneling above cryogenic temperatures.

Polarons and Mobile Impurities Near a Quantum Phase Transition

NASA Astrophysics Data System (ADS)

Shadkhoo, Shahriar

This dissertation aims at improving the current understanding of the physics of mobile impurities in highly correlated liquid-like phases of matter. Impurity problems pose challenging and intricate questions in different realms of many-body physics. For instance, the problem of ''solvation'' of charged solutes in polar solvents, has been the subject of longstanding debates among chemical physicists. The significant role of quantum fluctuations of the solvent, as well as the break down of linear response theory, render the ordinary treatments intractable. Inspired by this complicated problem, we first attempt to understand the role of non-specific quantum fluctuations in the solvation process. To this end, we calculate the dynamic structure factor of a model polar liquid, using the classical Molecular Dynamics (MD) simulations. We verify the failure of linear response approximation in the vicinity of a hydrated electron, by comparing the outcomes of MD simulations with the predictions of linear response theory. This nonlinear behavior is associated with the pronounced peaks of the structure factor, which reflect the strong fluctuations of the local modes. A cavity picture is constructed based on heuristic arguments, which suggests that the electron, along with the surrounding polarization cloud, behave like a frozen sphere, for which the linear response theory is broken inside and valid outside. The inverse radius of the spherical region serves as a UV momentum cutoff for the linear response approximation to be applicable. The problem of mobile impurities in polar liquids can be also addressed in the framework of the ''polaron'' problem. Polaron is a quasiparticle that typically acquires an extended state at weak couplings, and crossovers to a self-trapped state at strong couplings. Using the analytical fits to the numerically obtained charge-charge structure factor, a phenomenological approach is proposed within the Leggett's influence functional formalism, which derives the effective Euclidean action from the classical equation of motion. We calculate the effective mass of the polaron in the model polar liquid at zero and finite temperatures. The self-trapping transition of this polaron turns out to be discontinuous in certain regions of the phase diagram. In order to systematically investigate the role of quantum fluctuations on the polaron properties, we adopt a quantum field theory which supports nearly-critical local modes: the quantum Landau-Brazovskii (QLB) model, which exhibits fluctuation-induced first order transition (weak crystallization). In the vicinity of the phase transition, the quantum fluctuations are strongly correlated; one can in principle tune the strength of these fluctuations, by adjusting the parameters close to or away from the transition point. Furthermore, sufficiently close to the transition, the theory accommodates "soliton'' solutions, signaling the nonlinear response of the system. Therefore, the model seems to be a promising candidate for studying the effects of strong quantum fluctuations and also failure of linear response theory, in the polaron problem. We observe that at zero temperature, and away from the Brazovskii transition where the linear response approximation is valid, the localization transition of the polaron is discontinuous. Upon enhancing fluctuations---of either thermal or quantum nature---the gap of the effective mass closes at distinct second-order critical points. Sufficiently close to the Brazovskii transition where the nonlinear contributions of the field are significantly large, a new state appears in addition to extended and self-trapped polarons: an impurity-induced soliton. We interpret this as the break-down of linear response, reminiscent of what we observe in a polar liquid. Quantum LB model has been proposed to be realizable in ultracold Bose gases in cavities. We thus discuss the experimental feasibility, and propose a setup which is believed to exhibit the aforementioned polaronic and solitonic states. We eventually generalize the polaron formalism to the case of impurities that couple quadratically to a nearly-critical field; hence called the ''quadratic polaron''. The Hertz-Millis field theory and its generalization to the case of magnetic transition in helimagnets, is taken as a toy model. The phase diagram of the bare model contains both second-order and fluctuation-induced first-order quantum phase transitions. We propose a semi-classical scenario in which the impurity and the field couple quadratically. The polaron properties in the vicinity of these transitions are calculated in different dimensions. We observe that the quadratic coupling in three dimensions, even in the absence of the critical modes with finite wavelength, leads to a jump-like localization of the polaron. In lower dimensions, the transition behavior remains qualitatively similar to those in the case of linear coupling, namely the critical modes must have a finite wavelength to localize the particle.

Electronic Griffiths phase and quantum interference in disordered heavy-fermion systems

NASA Astrophysics Data System (ADS)

Gnida, Daniel

2018-02-01

We investigated the specific heat and electrical resistivity of disordered heavy-fermion systems Ce2Co0.8Si3.2 and Ce2Co0.4Rh0.4Si3.2 . Results show that pronounced non-Fermi-liquid behavior in these Kondo disordered compounds originates from approaching metal-insulator transition rather than from proximity to magnetic instability. Power-law divergence of the local Kondo temperature distribution, P (TK) , in the limit of TK→0 , and clear signature of the quantum interference corrections in the resistivity detected deep below the onset of Kondo coherent state, point to electronic Griffiths phase formation in the studied compounds.

Calorimetric study of phase transitions in nanocomposites of quantum dots and a liquid crystal

NASA Astrophysics Data System (ADS)

Kalakonda, P.; Iannacchione, G. S.

2015-06-01

The complex specific heat is measured over a wide temperature range for the liquid crystal (LC) 4-cyano-4-octylbiphenyl (8CB) and cadmium sulfate quantum dots (QDs) composites as a function of QD concentration. The thermal scans were performed under near-equilibrium conditions for all samples having QDs weight percent (φw) from 0 to 3wt% over a wide range of temperature well above and below the two transitions in pure 8CB. Isotropic (I) to nematic (N) and nematic to smectic-A (SmA) phase transitions evolve in character and their transition temperatures offset by (∼2.3 to 2.6 K) lower for all composite samples as compared to that in pure 8CB. The enthalpy change associated with I-N phase transitions shows slightly different behavior on heating and cooling and it also shows crossover behavior at lower and higher QD content. The enthalpy change associated with N-SmA phase transitions is independent of QD loading and thermal treatment. Given the homogeneous and random distribution of QD in these nanocomposites, we interpret that these results as arising that the nematic phase imposes self-assembly on QDs to form one-dimensional arrays leading to QDs and induces net local disordering effect in LC media.

Dirac and Chiral Quantum Spin Liquids on the Honeycomb Lattice in a Magnetic Field.

PubMed

Liu, Zheng-Xin; Normand, B

2018-05-04

Motivated by recent experimental observations in α-RuCl_{3}, we study the K-Γ model on the honeycomb lattice in an external magnetic field. By a slave-particle representation and variational Monte Carlo calculations, we reproduce the phase transition from zigzag magnetic order to a field-induced disordered phase. The nature of this state depends crucially on the field orientation. For particular field directions in the honeycomb plane, we find a gapless Dirac spin liquid, in agreement with recent experiments on α-RuCl_{3}. For a range of out-of-plane fields, we predict the existence of a Kalmeyer-Laughlin-type chiral spin liquid, which would show an integer-quantized thermal Hall effect.

Liquid-solid phase transition of hydrogen and deuterium in silica aerogel

NASA Astrophysics Data System (ADS)

Van Cleve, E.; Worsley, M. A.; Kucheyev, S. O.

2014-10-01

Behavior of hydrogen isotopes confined in disordered low-density nanoporous solids remains essentially unknown. Here, we use relaxation calorimetry to study freezing and melting of H2 and D2 in an ˜85%-porous base-catalyzed silica aerogel. We find that liquid-solid transition temperatures of both isotopes inside the aerogel are depressed. The phase transition takes place over a wide temperature range of ˜4 K and non-trivially depends on the liquid filling fraction, reflecting the broad pore size distribution in the aerogel. Undercooling is observed for both H2 and D2 confined inside the aerogel monolith. Results for H2 and D2 are extrapolated to tritium-containing hydrogens with the quantum law of corresponding states.

Dirac and Chiral Quantum Spin Liquids on the Honeycomb Lattice in a Magnetic Field

NASA Astrophysics Data System (ADS)

Liu, Zheng-Xin; Normand, B.

2018-05-01

Motivated by recent experimental observations in α -RuCl3 , we study the K -Γ model on the honeycomb lattice in an external magnetic field. By a slave-particle representation and variational Monte Carlo calculations, we reproduce the phase transition from zigzag magnetic order to a field-induced disordered phase. The nature of this state depends crucially on the field orientation. For particular field directions in the honeycomb plane, we find a gapless Dirac spin liquid, in agreement with recent experiments on α -RuCl3 . For a range of out-of-plane fields, we predict the existence of a Kalmeyer-Laughlin-type chiral spin liquid, which would show an integer-quantized thermal Hall effect.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

NASA Astrophysics Data System (ADS)

Willatt, Michael J.; Ceriotti, Michele; Althorpe, Stuart C.

2018-03-01

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice.

PubMed

Willatt, Michael J; Ceriotti, Michele; Althorpe, Stuart C

2018-03-14

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Scaling behavior of GaAs and GaMnAs quantum rings grown by droplet epitaxy

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

Placidi, E.; Dipartimento di Fisica, Universita di Roma 'Tor Vergata,' via della Ricerca Scientifica 1, 00133 Roma Italy; Arciprete, F.

2012-10-01

The transition from the liquid phase of Ga droplets to the formation of GaAs and GaMnAs quantum rings has been studied as a function of temperature. We show that different aggregation processes involve the GaAs (GaMnAs) island and the droplet formation. Furthermore, the aspect ratio of the islands exhibits an anomalous scaling law related to a tendency to aggregate in the vertical direction.

Fermionic Spinon Theory of Square Lattice Spin Liquids near the Néel State

NASA Astrophysics Data System (ADS)

Thomson, Alex; Sachdev, Subir

2018-01-01

Quantum fluctuations of the Néel state of the square lattice antiferromagnet are usually described by a CP1 theory of bosonic spinons coupled to a U(1) gauge field, and with a global SU(2) spin rotation symmetry. Such a theory also has a confining phase with valence bond solid (VBS) order, and upon including spin-singlet charge-2 Higgs fields, deconfined phases with Z2 topological order possibly intertwined with discrete broken global symmetries. We present dual theories of the same phases starting from a mean-field theory of fermionic spinons moving in π flux in each square lattice plaquette. Fluctuations about this π -flux state are described by (2 +1 )-dimensional quantum chromodynamics (QCD3 ) with a SU(2) gauge group and Nf=2 flavors of massless Dirac fermions. It has recently been argued by Wang et al. [Deconfined Quantum Critical Points: Symmetries and Dualities, Phys. Rev. X 7, 031051 (2017)., 10.1103/PhysRevX.7.031051] that this QCD3 theory describes the Néel-VBS quantum phase transition. We introduce adjoint Higgs fields in QCD3 and obtain fermionic dual descriptions of the phases with Z2 topological order obtained earlier using the bosonic CP1 theory. We also present a fermionic spinon derivation of the monopole Berry phases in the U(1) gauge theory of the VBS state. The global phase diagram of these phases contains multicritical points, and our results imply new boson-fermion dualities between critical gauge theories of these points.

Possible Gravitational Anomalies in Quantum Materials. Phase 1: Experiment Definition and Design

DTIC Science & Technology

2007-02-01

temperature achievable with the experiment at liquid nitrogen . The signal of the superconducting ring when decelerating from a mean rotational speed...temperatures below 50 K (see Figure 2.2-5). This experiments would require liquid He, as nitrogen solidifies at 63 K, therefore a temperature lowering... Using Government drawings, specifications, or other data included in this document for any purpose other than Government procurement does not in any way

Phase Diagram of the Bose Hubbard Model with Weak Links

NASA Astrophysics Data System (ADS)

Hettiarachchilage, Kalani; Rousseau, Valy; Tam, Ka-Ming; Moreno, Juana; Jarrell, Mark; Sheehy, Daniel

2012-02-01

We study the ground state phase diagram of strongly interacting ultracold Bose gas in a one-dimensional optical lattice with a tunable weak link, by means of Quantum Monte Carlo simulation. This model contains an on-site repulsive interaction (U) and two different near-neighbor hopping terms, J and t, for the weak link and the remainder of the chain, respectively. We show that by reducing the strength of J, a novel intermediate phase develops which is compressible and non-superfluid. This novel phase is identified as a Normal Bose Liquid (NBL) which does not appear in the phase diagram of the homogeneous bosonic Hubbard model. Further, we find a linear variation of the phase boundary of Normal Bose Liquid (NBL) to SuperFluid (SF) as a function of the strength of the weak link. These results may provide a new path to design advanced atomtronic devices in the future.

A Classical Phase Space Framework For the Description of Supercooled Liquids and an Apparent Universal Viscosity Collapse

NASA Astrophysics Data System (ADS)

Weingartner, Nicholas; Pueblo, Chris; Nogueira, Flavio; Kelton, Kenneth; Nussinov, Zohar

A fundamental understanding of the phenomenology of the metastable supercooled liquid state remains elusive. Two of the most pressing questions in this field are how to describe the temperature dependence of the viscosity, and determine whether or not the dynamical behaviors are universal. To address these questions, we have devised a simple first-principles classical phase space description of supercooled liquids that (along with a complementary quantum approach) predicts a unique functional form for the viscosity which relies on only a single parameter. We tested this form for 45 liquids of all types and fragilities, and have demonstrated that it provides a statistically significant fit to all liquids. Additionally, by scaling the viscosity of all studied liquids using the single parameter, we have observed a complete collapse of the data of all 45 liquids to a single scaling curve over 16 decades, suggesting an underlying universality in the dynamics of supercooled liquids. In this talk I will outline the basic approach of our model, as well as demonstrate the quality of the model performance and collapse of the data.

Multiphase Equation of State and Strength Properties of Beryllium from AB INITIO and Quantum Molecular Dynamics Calculations.

NASA Astrophysics Data System (ADS)

Robert, G.; Sollier, A.; Legrand, Ph.

2007-12-01

In the framework of density functional theory, static properties and phonon spectra of beryllium have been calculated under high compression (for pressures up to 4 Mbar) for two solid phases: hexagonal compact (hcp) and body-centered cubic (bcc). The melting curve and some isotherms in the liquid phase have been calculated using quantum molecular dynamics. The coupling of these theoretical data to a quasi-harmonic approach (phonon moments) allows us to suggest a new theoretical phase diagram and to build a multiphase equation of state (EOS) valid in a large range of pressure and temperature. The resulting Hugoniot curves as well as the evolution of the longitudinal sound speed with both pressure and temperature are in good agreement with available experimental data.

Instability of the sliding Luttinger liquid

NASA Astrophysics Data System (ADS)

Fleurov, V.; Kagalovsky, V.; Lerner, I. V.; Yurkevich, I. V.

2018-05-01

We revise a phase diagram for the sliding Luttinger liquid (SLL) of coupled one-dimensional quantum wires packed in two- or three-dimensional arrays in the absence of a magnetic field. We analyse whether physically justifiable (reasonable) inter-wire interactions, i.e. either the screened Coulomb or ‘Coulomb-blockade’ type interactions, stabilise the SLL phase. Calculating the scaling dimensions of the most relevant perturbations (the inter-wire single-particle hybridisation, charge-density wave, and superconducting inter-wire couplings), we find that their combination always destroys the SLL phase for the repulsive intra-wire interaction. However, suppressing the inter-wire tunnelling of repulsive fermions (when the charge-density wave is the only remaining perturbation), one can observe a stability region emerging due to the inter-wire forward scattering interaction.

Physics of Majorana modes in interacting helical liquid.

PubMed

Sarkar, Sujit

2016-07-27

As an attempt to understand and search for the existence of Majorana zero mode, we study the topological quantum phase transition and also the nature of this transition in helical liquid system, which appears in different physical systems. We present Majorana-Ising transition along with the phase boundary in the presence of interaction. We show the appearance of Majorana mode under the renormalization of the parameters of the system and also the topological protection of it. We present the length scale dependent condition for the appearance of Majorana edge state and also the absence of edge state for a certain regime of parameter space.

Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: A joint experimental and quantum chemical study

NASA Astrophysics Data System (ADS)

Campetella, M.; Bencivenni, L.; Caminiti, R.; Zazza, C.; Di Trapani, S.; Martino, A.; Gontrani, L.

2016-07-01

The X-ray diffraction spectra of liquid chloromethyl-oxirane (ClMO) and chloromethyl-thiirane (ClMT) have been recorded for the first time. The interpretation of X-ray measurements was based on ab initio molecular dynamics simulations at finite temperature conditions. Both liquids show conformational equilibrium, which is discussed in terms of Gauche-2, Gauche-1 and Cis structures. The occurrence of the various forms estimated from X-ray and AIMD data has been compared with spectroscopy data from the literature, with the FTIR spectra of the liquids newly recorded in this work, and with theoretical in vacuo calculations.

Impact of spherical nanoparticles on nematic order parameters

NASA Astrophysics Data System (ADS)

Kyrou, C.; Kralj, S.; Panagopoulou, M.; Raptis, Y.; Nounesis, G.; Lelidis, I.

2018-04-01

We study experimentally the impact of spherical nanoparticles on the orientational order parameters of a host nematic liquid crystal. We use spherical core-shell quantum dots that are surface functionalized to promote homeotropic anchoring on their interface with the liquid crystal host. We show experimentally that the orientational order may be strongly affected by the presence of spherical nanoparticles even at low concentrations. The orientational order of the composite system is probed by means of polarized micro-Raman spectroscopy and by optical birefringence measurements as function of temperature and concentration. Our data show that the orientational order depends on the concentration in a nonlinear way, and the existence of a crossover concentration χc≈0.004 pw . It separates two different regimes exhibiting pure-liquid crystal like (χ <χc ) and distorted-nematic ordering (χ >χc ), respectively. In the latter phase the degree of ordering is lower with respect to the pure-liquid crystal nematic phase.

The thermodynamic properties of normal liquid helium 3

NASA Astrophysics Data System (ADS)

Modarres, M.; Moshfegh, H. R.

2009-09-01

The thermodynamic properties of normal liquid helium 3 are calculated by using the lowest order constrained variational (LOCV) method. The Landau Fermi liquid model and Fermi-Dirac distribution function are considered as our statistical model for the uncorrelated quantum fluid picture and the Lennard-Jones and Aziz potentials are used in our truncated cluster expansion (LOCV) to calculate the correlated energy. The single particle energy is treated variationally through an effective mass. The free energy, pressure, entropy, chemical potential and liquid phase diagram as well as the helium 3 specific heat are evaluated, discussed and compared with the corresponding available experimental data. It is found that the critical temperature for the existence of the pure gas phase is about 4.90 K (4.45 K), which is higher than the experimental prediction of 3.3 K, and the helium 3 flashing temperature is around 0.61 K (0.50 K) for the Lennard-Jones (Aziz) potential.

Magnetic-field-temperature phase diagram of alternating ferrimagnetic chains: Spin-wave theory from a fully polarized vacuum

NASA Astrophysics Data System (ADS)

da Silva, W. M.; Montenegro-Filho, R. R.

2017-12-01

Quantum critical (QC) phenomena can be accessed by studying quantum magnets under an applied magnetic field (B ). The QC points are located at the end points of magnetization plateaus and separate gapped and gapless phases. In one dimension, the low-energy excitations of the gapless phase form a Luttinger liquid (LL), and crossover lines bound insulating (plateau) and LL regimes, as well as the QC regime. Alternating ferrimagnetic chains have a spontaneous magnetization at T =0 and gapped excitations at zero field. Besides the plateau at the fully polarized (FP) magnetization, due to the gap there is another magnetization plateau at the ferrimagnetic (FRI) magnetization. We develop spin-wave theories to study the thermal properties of these chains under an applied magnetic field: one from the FRI classical state and another from the FP state, comparing their results with quantum Monte Carlo data. We deepen the theory from the FP state, obtaining the crossover lines in the T vs B low-T phase diagram. In particular, from local extreme points in the susceptibility and magnetization curves, we identify the crossover between an LL regime formed by excitations from the FRI state to another built from excitations of the FP state. These two LL regimes are bounded by an asymmetric domelike crossover line, as observed in the phase diagram of other quantum magnets under an applied magnetic field.

Fluorescence Properties of Dansyl Groups Covalently Bonded to the Surface of Oxidatively Functionalized Low-Density Polyethylene Film.

DTIC Science & Technology

1985-12-01

Weissberger, A.; Rossiter, B. W., Eds.; Wiley-Interscience: New York, 1972; p 575. *16) This value is based on studies of self-assembled Langmuir - Blodgett ... liquids . The Dansyl group was chosen because its fluorescence emission maximum and quantum yield are sensitive to the polarity and acidity of the local...environment. The wavelength of maximum fluorescence depended only weakly on the character of the contacting liquid phase; the difference between

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Speckle suppression using a liquid-crystal cell

NASA Astrophysics Data System (ADS)

Andreev, A. L.; Kompanets, I. N.; Minchenko, M. V.; Pozhidaev, E. P.; Andreeva, T. B.

2008-12-01

A simple method for suppressing speckles in images produced by laser projectors is proposed. The coherence of the laser beam and, therefore, speckles can be destroyed when the beam passes through an electrooptical cell in which a special ferroelectric liquid crystal is used as a modulating medium. The effect is achieved due to the spatially inhomogeneous phase modulation of light when specially shaped bipolar electric pulses are applied to the cell.

Low temperature thermodynamic investigation of the phase diagram of Sr3Ru2O7

NASA Astrophysics Data System (ADS)

Sun, D.; Rost, A. W.; Perry, R. S.; Mackenzie, A. P.; Brando, M.

2018-03-01

We studied the phase diagram of Sr3Ru2O7 by means of heat capacity and magnetocaloric effect measurements at temperatures as low as 0.06 K and fields up to 12 T. We confirm the presence of a new quantum critical point at 7.5 T which is characterized by a strong non-Fermi-liquid behavior of the electronic specific heat coefficient Δ C /T ˜-logT over more than a decade in temperature, placing strong constraints on theories of its criticality. In particular logarithmic corrections are found when the dimension d is equal to the dynamic critical exponent z , in contrast to the conclusion of a two-dimensional metamagnetic quantum critical end point, recently proposed. Moreover, we achieved a clear determination of the new second thermodynamic phase adjoining the first one at lower temperatures. Its thermodynamic features differ significantly from those of the dominant phase and characteristics expected of classical equilibrium phase transitions are not observed, indicating fundamental differences in the phase formation.

Wave Properties of a Methyl Group under Ambient Conditions

NASA Astrophysics Data System (ADS)

Bernatowicz, Piotr; Szymański, Sławomir

2002-06-01

Liquid-phase NMR studies on hindered rotation of methyl group in a 9-methyltriptycene derivative are reported where the standard, classical jump model of the methyl dynamics proves inadequate. On the other hand, accurate reproduction of the observed NMR line shape effects is afforded by the use of a recent quantum mechanical model in which the relevant methyl dynamics are described in terms of two quantum rate (coherence-damping) processes, characterized by two different rate constants. For ambient temperatures, such a direct evidence of the quantum nature of a rate process generally believed to be classical seems to have no precedence in the literature.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

NASA Astrophysics Data System (ADS)

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; Tsvelik, A. M.

2017-12-01

We present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, the Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.

I. Excitonic Phase Diagram in Silicon: Evidence for Two Condensed Phases. I. Motion of Photoexcited Carriers in GALLIUM-ARSENIDE/ALUMINUM(X)GALLIUM(1-X)ARSENIDE Multiple Quantum Wells-Anomalous Confinement at High Densities.

NASA Astrophysics Data System (ADS)

Smith, Leigh Morris

This thesis describes work on the thermodynamics and transport properties of photoexcited carriers in bulk and two-dimensional semiconductors. Two major topics are addressed. I. Photoluminescence experiments of excitons in unstressed silicon are presented which indicate the existence of a new non-degenerate condensed phase of plasma. This new liquid has a density one-tenth that of the ground state electron-hole liquid and is observed both above and below the liquid-gas critical point (~24.5K). A new phase diagram of excitons in silicon is presented which includes these two condensed plasmas. Consistent with the Gibbs phase rule, a triple point at 18.5 K is inferred from the luminescence data as the only temperature where the exciton gas, condensed plasma (CP) and electron-hole liquid (EHL) coexist. The low density condensed plasma persists up to a second critical point at 45 +/- 5K, above which the photoexcited carriers are observed to continuously decay into a partially ionized excitonic gas. II. We have measured the in-plane motion of photoexcited carriers in semiconductor quantum wells with 5 μm spatial and 10 ps temporal resolution and have discovered several surprising results. The effective diffusivity of the carriers at densities below n = 2 times 10^{11}cm ^{-2} is found to depend upon excitation level, possibly indicating defect-limited diffusion or phonon-wind effects. Above this density the spatial profiles exhibit two distinct components with widely differing diffusivities. This remarkable behavior may be understood with consideration of the interactions of non-equilibrium phonons with the photoexcited carriers. We postulate that the slowly diffusing component represents carriers which are "thermally confined" to a phonon hot spot, while the rapidly moving component is driven by the flux of non-equilibrium phonons away from the excitation region.

Quantum phase transition and non-Fermi liquid behavior in Fe1-x Co x Si (x ⩾ 0.7)

NASA Astrophysics Data System (ADS)

Shanmukharao Samatham, S.; Suresh, K. G.; Ganesan, V.

2018-04-01

We report on the nature of electron correlations in Fe1-x Co x Si (0.7 ≤slant x < 1 ) using combined results of magnetization, specific heat and transport properties. Doping driven quantum critical point is observed to occur at x˜ 0.75 . The magnetically unstable regime is identified to be centered around x\\in [0.75, 0.95 ]. The emergence of non-Fermi liquid behaviors in x  =  0.8 (near to ferromagnetic quantum critical point) and x  =  0.9 (disorder-induced) compositions are discussed on the basis of the power-law dependence of susceptibility χ ˜ T-g (g ˜ 1.07 for x  =  0.8 and 0.55 for x  =  0.9), specific heat C/T ˜ T-1+λ (λ ˜ 1.52 for x  =  0.8 and 0.9) and resistivity Δρ ˜ Td (d ˜ 1.56 for x  =  0.8 and 1.38 for x  =  0.9). Further, a comprehensive classification of doping dependent physical properties of Fe1-x Co x Si is presented in the revisited temperature-composition (T-x) phase diagram.

Storage and retrieval of vector beams of light in a multiple-degree-of-freedom quantum memory.

PubMed

Parigi, Valentina; D'Ambrosio, Vincenzo; Arnold, Christophe; Marrucci, Lorenzo; Sciarrino, Fabio; Laurat, Julien

2015-07-13

The full structuration of light in the transverse plane, including intensity, phase and polarization, holds the promise of unprecedented capabilities for applications in classical optics as well as in quantum optics and information sciences. Harnessing special topologies can lead to enhanced focusing, data multiplexing or advanced sensing and metrology. Here we experimentally demonstrate the storage of such spatio-polarization-patterned beams into an optical memory. A set of vectorial vortex modes is generated via liquid crystal cell with topological charge in the optic axis distribution, and preservation of the phase and polarization singularities is demonstrated after retrieval, at the single-photon level. The realized multiple-degree-of-freedom memory can find applications in classical data processing but also in quantum network scenarios where structured states have been shown to provide promising attributes, such as rotational invariance.

Storage and retrieval of vector beams of light in a multiple-degree-of-freedom quantum memory

PubMed Central

Parigi, Valentina; D'Ambrosio, Vincenzo; Arnold, Christophe; Marrucci, Lorenzo; Sciarrino, Fabio; Laurat, Julien

2015-01-01

The full structuration of light in the transverse plane, including intensity, phase and polarization, holds the promise of unprecedented capabilities for applications in classical optics as well as in quantum optics and information sciences. Harnessing special topologies can lead to enhanced focusing, data multiplexing or advanced sensing and metrology. Here we experimentally demonstrate the storage of such spatio-polarization-patterned beams into an optical memory. A set of vectorial vortex modes is generated via liquid crystal cell with topological charge in the optic axis distribution, and preservation of the phase and polarization singularities is demonstrated after retrieval, at the single-photon level. The realized multiple-degree-of-freedom memory can find applications in classical data processing but also in quantum network scenarios where structured states have been shown to provide promising attributes, such as rotational invariance. PMID:26166257

Evidence for a Field-Induced Quantum Spin Liquid in α -RuCl3

NASA Astrophysics Data System (ADS)

Baek, S.-H.; Do, S.-H.; Choi, K.-Y.; Kwon, Y. S.; Wolter, A. U. B.; Nishimoto, S.; van den Brink, Jeroen; Büchner, B.

2017-07-01

We report a 35Cl nuclear magnetic resonance study in the honeycomb lattice α -RuCl3 , a material that has been suggested to potentially realize a Kitaev quantum spin liquid (QSL) ground state. Our results provide direct evidence that α -RuCl3 exhibits a magnetic-field-induced QSL. For fields larger than ˜10 T , a spin gap opens up while resonance lines remain sharp, evidencing that spins are quantum disordered and locally fluctuating. The spin gap increases linearly with an increasing magnetic field, reaching ˜50 K at 15 T, and is nearly isotropic with respect to the field direction. The unusual rapid increase of the spin gap with increasing field and its isotropic nature are incompatible with conventional magnetic ordering and, in particular, exclude that the ground state is a fully polarized ferromagnet. The presence of such a field-induced gapped QSL phase has indeed been predicted in the Kitaev model.

Exact Solution of a Two-Species Quantum Dimer Model for Pseudogap Metals

NASA Astrophysics Data System (ADS)

Feldmeier, Johannes; Huber, Sebastian; Punk, Matthias

2018-05-01

We present an exact ground state solution of a quantum dimer model introduced by Punk, Allais, and Sachdev [Quantum dimer model for the pseudogap metal, Proc. Natl. Acad. Sci. U.S.A. 112, 9552 (2015)., 10.1073/pnas.1512206112], which features ordinary bosonic spin-singlet dimers as well as fermionic dimers that can be viewed as bound states of spinons and holons in a hole-doped resonating valence bond liquid. Interestingly, this model captures several essential properties of the metallic pseudogap phase in high-Tc cuprate superconductors. We identify a line in parameter space where the exact ground state wave functions can be constructed at an arbitrary density of fermionic dimers. At this exactly solvable line the ground state has a huge degeneracy, which can be interpreted as a flat band of fermionic excitations. Perturbing around the exactly solvable line, this degeneracy is lifted and the ground state is a fractionalized Fermi liquid with a small pocket Fermi surface in the low doping limit.

Optical probing of quantum Hall effect of composite fermions and of the liquid-insulator transition

NASA Astrophysics Data System (ADS)

Rossella, F.; Bellani, V.; Dionigi, F.; Amado, M.; Diez, E.; Kowalik, K.; Biasiol, G.; Sorba, L.

2011-12-01

In the photoluminescence spectra of a two-dimensional electron gas in the fractional quantum Hall regime we observe the states at filling factors ν = 4/5, 5/7, 4/11 and 3/8 as clear minima in the intensity or area emission peak. The first three states are described as interacting composite fermions in fractional quantum Hall regime. The minimum in the intensity at ν = 3/8, which is not explained within this picture, can be an evidence of a suppression of the screening of the Coulomb interaction among the effective quasi-particles involved in this intriguing state. The magnetic field energy dispersion at very low temperatures is also discussed. At low field the emission follows a Landau dispersion with a screened magneto-Coulomb contribution. At intermediate fields the hidden symmetry manifests. At high field above ν = 1/3 the electrons correlate into an insulating phase, and the optical emission behaviour at the liquid-insulator transition is coherent with a charge ordering driven by Coulomb correlations.

Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory

NASA Astrophysics Data System (ADS)

Ingenmey, Johannes; von Domaros, Michael; Perlt, Eva; Verevkin, Sergey P.; Kirchner, Barbara

2018-05-01

We applied the binary Quantum Cluster Equilibrium (bQCE) method to a number of alkylammonium-based protic ionic liquids in order to predict boiling points, vaporization enthalpies, and proton activities. The theory combines statistical thermodynamics of van-der-Waals-type clusters with ab initio quantum chemistry and yields the partition functions (and associated thermodynamic potentials) of binary mixtures over a wide range of thermodynamic phase points. Unlike conventional cluster approaches that are limited to the prediction of thermodynamic properties, dissociation reactions can be effortlessly included into the bQCE formalism, giving access to ionicities, as well. The method is open to quantum chemical methods at any level of theory, but combination with low-cost composite density functional theory methods and the proposed systematic approach to generate cluster sets provides a computationally inexpensive and mostly parameter-free way to predict such properties at good-to-excellent accuracy. Boiling points can be predicted within an accuracy of 50 K, reaching excellent accuracy for ethylammonium nitrate. Vaporization enthalpies are predicted within an accuracy of 20 kJ mol-1 and can be systematically interpreted on a molecular level. We present the first theoretical approach to predict proton activities in protic ionic liquids, with results fitting well into the experimentally observed correlation. Furthermore, enthalpies of vaporization were measured experimentally for some alkylammonium nitrates and an excellent linear correlation with vaporization enthalpies of their respective parent amines is observed.

Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

PubMed

Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

2014-11-14

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

Quantum critical scaling in beta-YbAlB4 and theoretical implications

NASA Astrophysics Data System (ADS)

Nevidomskyy, Andriy

2012-02-01

Emergent phenomena in quantum materials are subject of intense experimental and theoretical research at present. A wonderful example thereof are the sister phases of YbAlB4 - a newly discovered heavy fermion material [1]. While one phase (α-YbAlB4) is a heavy Fermi liquid, its sibling β-YbAlB4 is quantum critical, supporting an unconventional superconductivity with a tiny transition temperature of ˜80 mK. Latest experiments [2] uncover the quantum critical T/B-scaling in β-YbAlB4 and prove that superconductivity emerges from a strange metal governed by an extremely fragile quantum criticality, which apparently occurs at zero field, without any external tuning. Here, we will present a theoretical perspective on the quantum critical scaling in β-YbAlB4 and will show that the critical exponents can be derived from the nodal structure of the hybridization matrix between Yb f-band and the conduction electrons. It follows that the free energy at low temperatures can be written in a scaling form F[(kBT)^2 + (gμBB)^2]^3/4, which predicts the divergent Sommerfeld coefficient γ and quasi-particle effective mass as B->0: γ˜m^*/m B-1/2. This is indeed observed in the experiment [1,2], which places a tiny upper bound on the critical magnetic field Bc<0.2 mT. We will discuss theoritical implications of this fragile intrinsic quantum criticality in β-YbAlB4 and discuss the possibility of a quantum critical phase, rather than a quantum critical point, in this material. [1] S. Nakatsuji et al., Nature Physics 4, 603 (2008). [2] Y. Matsumoto, S. Nakatsuji, K. Kuga, Y. Karaki, Y. Shimura, T. Sakakibara, A. H. Nevidomskyy, and P. Coleman, Science 331, 316 (2011).

Bio-inspired direct patterning functional nanothin microlines: controllable liquid transfer.

PubMed

Wang, Qianbin; Meng, Qingan; Wang, Pengwei; Liu, Huan; Jiang, Lei

2015-04-28

Developing a general and low-cost strategy that enables direct patterning of microlines with nanometer thickness from versatile liquid-phase functional materials and precise positioning of them on various substrates remains a challenge. Herein, with inspiration from the oriental wisdom to control ink transfer by Chinese brushes, we developed a facile and general writing strategy to directly pattern various functional microlines with homogeneous distribution and nanometer-scale thickness. It is demonstrated that the width and thickness of the microlines could be well-controlled by tuning the writing method, providing guidance for the adaptation of this technique to various systems. It is also shown that various functional liquid-phase materials, such as quantum dots, small molecules, polymers, and suspensions of nanoparticles, could directly write on the substrates with intrinsic physicochemical properties well-preserved. Moreover, this technique enabled direct patterning of liquid-phase materials on certain microdomains, even in multiple layered style, thus a microdomain localized chemical reaction and the patterned surface chemical modification were enabled. This bio-inspired direct writing device will shed light on the template-free printing of various functional micropatterns, as well as the integrated functional microdevices.

Predicting vapor-liquid phase equilibria with augmented ab initio interatomic potentials

NASA Astrophysics Data System (ADS)

Vlasiuk, Maryna; Sadus, Richard J.

2017-06-01

The ability of ab initio interatomic potentials to accurately predict vapor-liquid phase equilibria is investigated. Monte Carlo simulations are reported for the vapor-liquid equilibria of argon and krypton using recently developed accurate ab initio interatomic potentials. Seventeen interatomic potentials are studied, formulated from different combinations of two-body plus three-body terms. The simulation results are compared to either experimental or reference data for conditions ranging from the triple point to the critical point. It is demonstrated that the use of ab initio potentials enables systematic improvements to the accuracy of predictions via the addition of theoretically based terms. The contribution of three-body interactions is accounted for using the Axilrod-Teller-Muto plus other multipole contributions and the effective Marcelli-Wang-Sadus potentials. The results indicate that the predictive ability of recent interatomic potentials, obtained from quantum chemical calculations, is comparable to that of accurate empirical models. It is demonstrated that the Marcelli-Wang-Sadus potential can be used in combination with accurate two-body ab initio models for the computationally inexpensive and accurate estimation of vapor-liquid phase equilibria.

Predicting vapor-liquid phase equilibria with augmented ab initio interatomic potentials.

PubMed

Vlasiuk, Maryna; Sadus, Richard J

2017-06-28

The ability of ab initio interatomic potentials to accurately predict vapor-liquid phase equilibria is investigated. Monte Carlo simulations are reported for the vapor-liquid equilibria of argon and krypton using recently developed accurate ab initio interatomic potentials. Seventeen interatomic potentials are studied, formulated from different combinations of two-body plus three-body terms. The simulation results are compared to either experimental or reference data for conditions ranging from the triple point to the critical point. It is demonstrated that the use of ab initio potentials enables systematic improvements to the accuracy of predictions via the addition of theoretically based terms. The contribution of three-body interactions is accounted for using the Axilrod-Teller-Muto plus other multipole contributions and the effective Marcelli-Wang-Sadus potentials. The results indicate that the predictive ability of recent interatomic potentials, obtained from quantum chemical calculations, is comparable to that of accurate empirical models. It is demonstrated that the Marcelli-Wang-Sadus potential can be used in combination with accurate two-body ab initio models for the computationally inexpensive and accurate estimation of vapor-liquid phase equilibria.

Fermi liquid, clustering, and structure factor in dilute warm nuclear matter

NASA Astrophysics Data System (ADS)

Röpke, G.; Voskresensky, D. N.; Kryukov, I. A.; Blaschke, D.

2018-02-01

Properties of nuclear systems at subsaturation densities can be obtained from different approaches. We demonstrate the use of the density autocorrelation function which is related to the isothermal compressibility and, after integration, to the equation of state. This way we connect the Landau Fermi liquid theory well elaborated in nuclear physics with the approaches to dilute nuclear matter describing cluster formation. A quantum statistical approach is presented, based on the cluster decomposition of the polarization function. The fundamental quantity to be calculated is the dynamic structure factor. Comparing with the Landau Fermi liquid theory which is reproduced in lowest approximation, the account of bound state formation and continuum correlations gives the correct low-density result as described by the second virial coefficient and by the mass action law (nuclear statistical equilibrium). Going to higher densities, the inclusion of medium effects is more involved compared with other quantum statistical approaches, but the relation to the Landau Fermi liquid theory gives a promising approach to describe not only thermodynamic but also collective excitations and non-equilibrium properties of nuclear systems in a wide region of the phase diagram.

Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.

PubMed

Diedenhofen, Michael; Klamt, Andreas; Marsh, Kenneth; Schäfer, Ansgar

2007-09-07

The vapor pressures and vaporization enthalpies of a series of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids have been predicted with two different approaches using the COSMO-RS method and quantum chemical gas phase calculations. While the calculated enthalpies are in good agreement with the experimental data, COSMO-RS seems to underestimate the vapor pressures by roughly 0.5-4 log units dependent on the IL and approach used.

Effect of phloretin on the binding of 1-anilino-8-naphtalene sulfonate (ANS) to 1,2-Dimyristoyl-sn-glycero-3-phosphocoline (DMPC) vesicles in the gel and liquid-crystalline state.

PubMed

Cutró, Andrea C; Montich, Guillermo; Roveri, Oscar A

2015-02-01

Phloretin is a known modifier of the internal dipole potential of lipid membranes. We studied the interaction of phloretin with model lipid membranes and how it influences the membrane dipole organization using ANS as fluorescent probe. The fluorescence increase observed when ANS binds to DMPC liposomes in gel phase (13 °C) was 2.5 times larger in the presence of phloretin. This effect was due to an increase in ANS affinity, which can be related to the known capability of phloretin in decreasing the dipole potential. Conversely, when the experiments were carried out at 33 °C (liquid crystalline phase), phloretin completely inhibited the increase in ANS fluorescence. In addition, phloretin only affected the electrical properties of the membrane in the gel phase, whereas it modifies structural ones in the liquid-crystalline state. We postulate that phloretin was bound only to the DMPC interface in the gel phase decreasing the surface negative charge density without modifying the structural properties of the ANS binding sites. In the liquid-crystalline phase instead, it increased the accessibility of water to the ANS binding sites decreasing the intrinsic affinity and the fluorescence quantum yield of ANS.

Evidence for a spinon Fermi surface in a triangular-lattice quantum-spin-liquid candidate

DOE PAGES

Shen, Yao; Li, Yao-Dong; Wo, Hongliang; ...

2016-12-05

A quantum spin liquid is an exotic quantum state of matter in which spins are highly entangled and remain disordered down to zero temperature. Such a state of matter is potentially relevant to high-temperature superconductivity and quantum-information applications, and experimental identification of a quantum spin liquid state is of fundamental importance for our understanding of quantum matter. Theoretical studies have proposed various quantum-spin-liquid ground states, most of which are characterized by exotic spin excitations with fractional quantum numbers (termed ‘spinons’). In this paper, we report neutron scattering measurements of the triangular-lattice antiferromagnet YbMgGaO 4 that reveal broad spin excitations coveringmore » a wide region of the Brillouin zone. The observed diffusive spin excitation persists at the lowest measured energy and shows a clear upper excitation edge, consistent with the particle–hole excitation of a spinon Fermi surface. Finally, our results therefore point to the existence of a quantum spin liquid state with a spinon Fermi surface in YbMgGaO 4, which has a perfect spin-1/2 triangular lattice as in the original proposal of quantum spin liquids.« less

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings

NASA Astrophysics Data System (ADS)

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-01

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter rS is increased, we observe—at a fixed spin magnetic moment—the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing rS. We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical rSc at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing rS the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid.

Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water

NASA Astrophysics Data System (ADS)

Habershon, Scott; Manolopoulos, David E.

2009-12-01

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.

PubMed

Habershon, Scott; Manolopoulos, David E

2009-12-28

The approximate quantum mechanical ring polymer molecular dynamics (RPMD) and linearized semiclassical initial value representation (LSC-IVR) methods are compared and contrasted in a study of the dynamics of the flexible q-TIP4P/F water model at room temperature. For this water model, a RPMD simulation gives a diffusion coefficient that is only a few percent larger than the classical diffusion coefficient, whereas a LSC-IVR simulation gives a diffusion coefficient that is three times larger. We attribute this discrepancy to the unphysical leakage of initially quantized zero point energy (ZPE) from the intramolecular to the intermolecular modes of the liquid as the LSC-IVR simulation progresses. In spite of this problem, which is avoided by construction in RPMD, the LSC-IVR may still provide a useful approximation to certain short-time dynamical properties which are not so strongly affected by the ZPE leakage. We illustrate this with an application to the liquid water dipole absorption spectrum, for which the RPMD approximation breaks down at frequencies in the O-H stretching region owing to contamination from the internal modes of the ring polymer. The LSC-IVR does not suffer from this difficulty and it appears to provide quite a promising way to calculate condensed phase vibrational spectra.

Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings.

PubMed

Arnold, Thorsten; Siegmund, Marc; Pankratov, Oleg

2011-08-24

We apply exact-exchange spin-density functional theory in the Krieger-Li-Iafrate approximation to interacting electrons in quantum rings of different widths. The rings are threaded by a magnetic flux that induces a persistent current. A weak space and spin symmetry breaking potential is introduced to allow for localized solutions. As the electron-electron interaction strength described by the dimensionless parameter r(S) is increased, we observe-at a fixed spin magnetic moment-the subsequent transition of both spin sub-systems from the Fermi liquid to the Wigner crystal state. A dramatic signature of Wigner crystallization is that the persistent current drops sharply with increasing r(S). We observe simultaneously the emergence of pronounced oscillations in the spin-resolved densities and in the electron localization functions indicating a spatial electron localization showing ferrimagnetic order after both spin sub-systems have undergone the Wigner crystallization. The critical r(S)(c) at the transition point is substantially smaller than in a fully spin-polarized system and decreases further with decreasing ring width. Relaxing the constraint of a fixed spin magnetic moment, we find that on increasing r(S) the stable phase changes from an unpolarized Fermi liquid to an antiferromagnetic Wigner crystal and finally to a fully polarized Fermi liquid. © 2011 IOP Publishing Ltd

Nonlinear unitary transformations of space-variant polarized light fields from self-induced geometric-phase optical elements

NASA Astrophysics Data System (ADS)

Kravets, Nina; Brasselet, Etienne

2018-01-01

We propose to couple the optical orientational nonlinearities of liquid crystals with their ability to self-organize to tailor them to control space-variant-polarized optical fields in a nonlinear manner. Experimental demonstration is made using a liquid crystal light valve that behaves like a light-driven geometric phase optical element. We also unveil two original nonlinear optical processes, namely self-induced separability and nonseparability. These results contribute to the advancement of nonlinear singular optics that is still in its infancy despite 25 years of effort, which may foster the development of nonlinear protocols to manipulate high-dimensional optical information both in the classical and quantum regimes.

The physics of quantum materials

NASA Astrophysics Data System (ADS)

Keimer, B.; Moore, J. E.

2017-11-01

The physical description of all materials is rooted in quantum mechanics, which describes how atoms bond and electrons interact at a fundamental level. Although these quantum effects can in many cases be approximated by a classical description at the macroscopic level, in recent years there has been growing interest in material systems where quantum effects remain manifest over a wider range of energy and length scales. Such quantum materials include superconductors, graphene, topological insulators, Weyl semimetals, quantum spin liquids, and spin ices. Many of them derive their properties from reduced dimensionality, in particular from confinement of electrons to two-dimensional sheets. Moreover, they tend to be materials in which electrons cannot be considered as independent particles but interact strongly and give rise to collective excitations known as quasiparticles. In all cases, however, quantum-mechanical effects fundamentally alter properties of the material. This Review surveys the electronic properties of quantum materials through the prism of the electron wavefunction, and examines how its entanglement and topology give rise to a rich variety of quantum states and phases; these are less classically describable than conventional ordered states also driven by quantum mechanics, such as ferromagnetism.

Classification of trivial spin-1 tensor network states on a square lattice

NASA Astrophysics Data System (ADS)

Lee, Hyunyong; Han, Jung Hoon

2016-09-01

Classification of possible quantum spin liquid (QSL) states of interacting spin-1/2's in two dimensions has been a fascinating topic of condensed matter for decades, resulting in enormous progress in our understanding of low-dimensional quantum matter. By contrast, relatively little work exists on the identification, let alone classification, of QSL phases for spin-1 systems in dimensions higher than one. Employing the powerful ideas of tensor network theory and its classification, we develop general methods for writing QSL wave functions of spin-1 respecting all the lattice symmetries, spin rotation, and time reversal with trivial gauge structure on the square lattice. We find 25 distinct classes characterized by five binary quantum numbers. Several explicit constructions of such wave functions are given for bond dimensions D ranging from two to four, along with thorough numerical analyses to identify their physical characters. Both gapless and gapped states are found. The topological entanglement entropy of the gapped states is close to zero, indicative of topologically trivial states. In D =4 , several different tensors can be linearly combined to produce a family of states within the same symmetry class. A rich "phase diagram" can be worked out among the phases of these tensors, as well as the phase transitions among them. Among the states we identified in this putative phase diagram is the plaquette-ordered phase, gapped resonating valence bond phase, and a critical phase. A continuous transition separates the plaquette-ordered phase from the resonating valence bond phase.

Quantum melting of a two-dimensional Wigner crystal

NASA Astrophysics Data System (ADS)

Dolgopolov, V. T.

2017-10-01

The paper reviews theoretical predictions about the behavior of two-dimensional low-density electron systems at nearly absolute zero temperatures, including the formation of an electron (Wigner) crystal, crystal melting at a critical electron density, and transitions between crystal modifications in more complex (for example, two-layer) systems. The paper presents experimental results obtained from real two-dimensional systems in which the nonconducting (solid) state of the electronic system with indications of collective localization is actually realized. Experimental methods for detecting a quantum liquid-solid phase interface are discussed.

Classical dimer model with anisotropic interactions on the square lattice

NASA Astrophysics Data System (ADS)

Otsuka, Hiromi

2009-07-01

We discuss phase transitions and the phase diagram of a classical dimer model with anisotropic interactions defined on a square lattice. For the attractive region, the perturbation of the orientational order parameter introduced by the anisotropy causes the Berezinskii-Kosterlitz-Thouless transitions from a dimer-liquid to columnar phases. According to the discussion by Nomura and Okamoto for a quantum-spin chain system [J. Phys. A 27, 5773 (1994)], we proffer criteria to determine transition points and also universal level-splitting conditions. Subsequently, we perform numerical diagonalization calculations of the nonsymmetric real transfer matrices up to linear dimension specified by L=20 and determine the global phase diagram. For the repulsive region, we find the boundary between the dimer-liquid and the strong repulsion phases. Based on the dispersion relation of the one-string motion, which exhibits a twofold “zero-energy flat band” in the strong repulsion limit, we give an intuitive account for the property of the strong repulsion phase.

Higgs transition from a magnetic Coulomb liquid to a ferromagnet in Yb₂Ti₂O₇.

PubMed

Chang, Lieh-Jeng; Onoda, Shigeki; Su, Yixi; Kao, Ying-Jer; Tsuei, Ku-Ding; Yasui, Yukio; Kakurai, Kazuhisa; Lees, Martin Richard

2012-01-01

In a class of frustrated magnets known as spin ice, magnetic monopoles emerge as classical defects and interact via the magnetic Coulomb law. With quantum-mechanical interactions, these magnetic charges are carried by fractionalized bosonic quasi-particles, spinons, which can undergo Bose-Einstein condensation through a first-order transition via the Higgs mechanism. Here, we report evidence of a Higgs transition from a magnetic Coulomb liquid to a ferromagnet in single-crystal Yb(2)Ti(2)O(7). Polarized neutron scattering experiments show that the diffuse [111]-rod scattering and pinch-point features, which develop on cooling are suddenly suppressed below T(C)~0.21 K, where magnetic Bragg peaks and a full depolarization of the neutron spins are observed with thermal hysteresis, indicating a first-order ferromagnetic transition. Our results are explained on the basis of a quantum spin-ice model, whose high-temperature phase is effectively described as a magnetic Coulomb liquid, whereas the ground state shows a nearly collinear ferromagnetism with gapped spin excitations.

A DMFT+CTQMC Investigation of Strange Metallicity in Local Quantum Critical Scenario

NASA Astrophysics Data System (ADS)

Acharya, Swagata; Laad, M. S.; Taraphder, A.

2016-10-01

“Strange” metallicity is now a pseudonym for a novel metallic state exhibiting anomalous infra-red (branch-cut) continuum features in one- and two-particle responses. Here, we employ dynamical mean-field theory (DMFT) using low-temperature continuous-time- quantum Monte-Carlo (CTQMC) solver for an extended periodic Anderson model (EPAM) model to investigate unusual magnetic fluctuations in the strange metal. We show how extinction of Landau quasiparticles in the orbital selective Mott phase (OSMP) leads to (i) qualitative explication of strange transport features and (ii) anomalous quantum critical magnetic fluctuations due to critical liquid-like features in dynamical spin fluctuations, in excellent accord with data in some f-electron systems.

Exotic states of matter with polariton chains

NASA Astrophysics Data System (ADS)

Kalinin, Kirill P.; Lagoudakis, Pavlos G.; Berloff, Natalia G.

2018-04-01

We consider linear periodic chains of exciton-polariton condensates formed by pumping polaritons nonresonantly into a linear network. To the leading order such a sequence of condensates establishes relative phases as to minimize a classical one-dimensional X Y Hamiltonian with nearest and next-to-nearest neighbors. We show that the low-energy states of polaritonic linear chains demonstrate various classical regimes: ferromagnetic, antiferromagnetic, and frustrated spiral phases where quantum or thermal fluctuations are expected to give rise to a spin-liquid state. At the same time nonlinear interactions at higher pumping intensities bring about phase chaos and novel exotic phases.

Ground-state ordering of the J1-J2 model on the simple cubic and body-centered cubic lattices

NASA Astrophysics Data System (ADS)

Farnell, D. J. J.; Götze, O.; Richter, J.

2016-06-01

The J1-J2 Heisenberg model is a "canonical" model in the field of quantum magnetism in order to study the interplay between frustration and quantum fluctuations as well as quantum phase transitions driven by frustration. Here we apply the coupled cluster method (CCM) to study the spin-half J1-J2 model with antiferromagnetic nearest-neighbor bonds J1>0 and next-nearest-neighbor bonds J2>0 for the simple cubic (sc) and body-centered cubic (bcc) lattices. In particular, we wish to study the ground-state ordering of these systems as a function of the frustration parameter p =z2J2/z1J1 , where z1 (z2) is the number of nearest (next-nearest) neighbors. We wish to determine the positions of the phase transitions using the CCM and we aim to resolve the nature of the phase transition points. We consider the ground-state energy, order parameters, spin-spin correlation functions, as well as the spin stiffness in order to determine the ground-state phase diagrams of these models. We find a direct first-order phase transition at a value of p =0.528 from a state of nearest-neighbor Néel order to next-nearest-neighbor Néel order for the bcc lattice. For the sc lattice the situation is more subtle. CCM results for the energy, the order parameter, the spin-spin correlation functions, and the spin stiffness indicate that there is no direct first-order transition between ground-state phases with magnetic long-range order, rather it is more likely that two phases with antiferromagnetic long range are separated by a narrow region of a spin-liquid-like quantum phase around p =0.55 . Thus the strong frustration present in the J1-J2 Heisenberg model on the sc lattice may open a window for an unconventional quantum ground state in this three-dimensional spin model.

Novel systems and methods for quantum communication, quantum computation, and quantum simulation

NASA Astrophysics Data System (ADS)

Gorshkov, Alexey Vyacheslavovich

Precise control over quantum systems can enable the realization of fascinating applications such as powerful computers, secure communication devices, and simulators that can elucidate the physics of complex condensed matter systems. However, the fragility of quantum effects makes it very difficult to harness the power of quantum mechanics. In this thesis, we present novel systems and tools for gaining fundamental insights into the complex quantum world and for bringing practical applications of quantum mechanics closer to reality. We first optimize and show equivalence between a wide range of techniques for storage of photons in atomic ensembles. We describe experiments demonstrating the potential of our optimization algorithms for quantum communication and computation applications. Next, we combine the technique of photon storage with strong atom-atom interactions to propose a robust protocol for implementing the two-qubit photonic phase gate, which is an important ingredient in many quantum computation and communication tasks. In contrast to photon storage, many quantum computation and simulation applications require individual addressing of closely-spaced atoms, ions, quantum dots, or solid state defects. To meet this requirement, we propose a method for coherent optical far-field manipulation of quantum systems with a resolution that is not limited by the wavelength of radiation. While alkali atoms are currently the system of choice for photon storage and many other applications, we develop new methods for quantum information processing and quantum simulation with ultracold alkaline-earth atoms in optical lattices. We show how multiple qubits can be encoded in individual alkaline-earth atoms and harnessed for quantum computing and precision measurements applications. We also demonstrate that alkaline-earth atoms can be used to simulate highly symmetric systems exhibiting spin-orbital interactions and capable of providing valuable insights into strongly correlated physics of transition metal oxides, heavy fermion materials, and spin liquid phases. While ultracold atoms typically exhibit only short-range interactions, numerous exotic phenomena and practical applications require long-range interactions, which can be achieved with ultracold polar molecules. We demonstrate the possibility to engineer a repulsive interaction between polar molecules, which allows for the suppression of inelastic collisions, efficient evaporative cooling, and the creation of novel phases of polar molecules.

Quasistatic antiferromagnetism in the quantum wells of SmTiO3/SrTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Need, Ryan F.; Marshall, Patrick B.; Kenney, Eric; Suter, Andreas; Prokscha, Thomas; Salman, Zaher; Kirby, Brian J.; Stemmer, Susanne; Graf, Michael J.; Wilson, Stephen D.

2018-03-01

High carrier density quantum wells embedded within a Mott insulating matrix present a rich arena for exploring unconventional electronic phase behavior ranging from non-Fermi-liquid transport and signatures of quantum criticality to pseudogap formation. Probing the proposed connection between unconventional magnetotransport and incipient electronic order within these quantum wells has however remained an enduring challenge due to the ultra-thin layer thicknesses required. Here we address this challenge by exploring the magnetic properties of high-density SrTiO3 quantum wells embedded within the antiferromagnetic Mott insulator SmTiO3 via muon spin relaxation and polarized neutron reflectometry measurements. The one electron per planar unit cell acquired by the nominal d0 band insulator SrTiO3 when embedded within a d1 Mott SmTiO3 matrix exhibits slow magnetic fluctuations that begin to freeze into a quasistatic spin state below a critical temperature T*. The appearance of this quasistatic well magnetism coincides with the previously reported opening of a pseudogap in the tunneling spectra of high carrier density wells inside this film architecture. Our data suggest a common origin of the pseudogap phase behavior in this quantum critical oxide heterostructure with those observed in bulk Mott materials close to an antiferromagnetic instability.

Phase selective synthesis of quantum cutting nanophosphors and the observation of a spontaneous room temperature phase transition.

PubMed

Ghosh, Pushpal; Mudring, Anja-Verena

2016-04-21

Oxygen-free Eu(3+)-doped NaGdF4 nanocrystals with high quantum cutting efficiency are accessible at low temperatures (room temperature to 80 °C) using task-specific ionic liquids (ILs) as structure directing agents and only water as solvent. Selective tuning of the shape, morphology and, most importantly, the crystal phase of the host lattice is achieved by changing the alkyl side length, the H-bonding capabilities and the concentration of 1-alkyl-3-methylimidazolium bromide ILs, [C(n)mim]Br. When using [C2mim]Br, hexagonal NaGdF4 nanoparticles are obtained. In the case of methylimidazolium bromides with longer pendant alkyl chains such as butyl (C4), octyl (C8) or decyl (C10), extremely small nanoparticles of the cubic polymorph form, which then convert even at room temperature (RT) to the thermodynamically favored hexagonal modification. To the best of our knowledge, this kind of spontaneous phase transition is not yet reported. The hexagonal nanomaterial shows a substantial quantum cutting efficiency (154%) whilst in the cubic material, the effect is negligible (107%). The easy yet highly phase selective green synthesis of the materials promises large scale industrial application in environmentally benign energy efficient lighting.

Universal tight binding model for chemical reactions in solution and at surfaces. II. Water.

PubMed

Lozovoi, A Y; Sheppard, T J; Pashov, D L; Kohanoff, J J; Paxton, A T

2014-07-28

A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice--leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point.

Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics

NASA Astrophysics Data System (ADS)

Pinilla, Carlos; Blanchard, Marc; Balan, Etienne; Ferlat, Guillaume; Vuilleumier, Rodolphe; Mauri, Francesco

2014-06-01

The equilibrium fractionation factor between two phases is of importance for the understanding of many planetary and environmental processes. Although thermodynamic equilibrium can be achieved between minerals at high temperature, many natural processes involve reactions between liquids or aqueous solutions and solids. For crystals, the fractionation factor α can be theoretically determined using a statistical thermodynamic approach based on the vibrational properties of the phases. These calculations are mostly performed in the harmonic approximation, using empirical or ab-initio force fields. In the case of aperiodic and dynamic systems such as liquids or solutions, similar calculations can be done using finite-size molecular clusters or snapshots obtained from molecular dynamics (MD) runs. It is however difficult to assess the effect of these approximate models on the isotopic fractionation properties. In this work we present a systematic study of the calculation of the D/H and 18O/16O equilibrium fractionation factors in water for the liquid/vapour and ice/vapour phases using several levels of theory within the simulations. Namely, we use a thermodynamic integration approach based on Path Integral MD calculations (PIMD) and an empirical potential model of water. Compared with standard MD, PIMD takes into account quantum effects in the thermodynamic modeling of systems and the exact fractionation factor for a given potential can be obtained. We compare these exact results with those of modeling strategies usually used, which involve the mapping of the quantum system on its harmonic counterpart. The results show the importance of including configurational disorder for the estimation of isotope fractionation in liquid phases. In addition, the convergence of the fractionation factor as a function of parameters such as the size of the simulated system and multiple isotope substitution is analyzed, showing that isotope fractionation is essentially a local effect in the investigated system.

Transport Studies of Quantum Magnetism: Physics and Methods

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

Lee, Minhyea

The main goal of this project was to understand novel ground states of spin systems probed by thermal and electrical transport measurements. They are well-suited to characterize the nature of low-energy excitations as unique property of the ground state. More specifically, it was aimed to study the transverse electrical conductivity in the presence of non-collinear and non-coplanar spin ordering and the effects of gauge field as well as novel spin excitations as a coherent heat transport channel in insulating quantum magnets. Most of works done during the grant period focused on these topics. As a natural extension of the project'smore » initial goals, the scope was broadened to include transport studies on the spin systems with strong spin-orbit coupling. One particular focus was an exploration of systems with strong magnetic anisotropy combined with non-trivial spin configuration. Magnetic anisotropy is directly related to implement the non-collinear spin ordering to the existing common geometry of planar devices and thus poses a significant potential. Work in this direction includes the comparison of the topological Hall signal under hydrostatic pressure and chemical doping, as well as the angular dependence dependence of the non-collinear spin ordered phase and their evolution up on temperature and field strength. Another focus was centered around the experimental identification of spin-originated heat carrying excitation in quasi two dimensional honeycomb lattice, where Kitaev type of quantum spin liquid phase is expected to emerge. In fact, when its long range magnetic order is destroyed by the applied field, we discovered anomalously large enhancement of thermal conductivity, for which proximate Kitaev excitations in field-induced spin liquid state are responsible for. This work, combined with further investigations in materials in the similar class may help establish the experimental characterization of new quantum spin liquid and their unique low energy excitation, e.g. Majorana fermions.« less

The valence bond glass phase

NASA Astrophysics Data System (ADS)

Tarzia, M.; Biroli, G.

2008-06-01

We show that a new glassy phase can emerge in the presence of strong magnetic frustration and quantum fluctuations. It is a valence bond glass (VBG). We study its properties solving the Hubbard-Heisenberg model on a Bethe lattice within the large-N limit introduced by Affleck and Marston. We work out the phase diagram that contains Fermi liquid, dimer and valence bond glass phases. This new glassy phase has no electronic or spin gap (although a pseudo-gap is observed), it is characterized by long-range critical valence bond correlations and is not related to any magnetic ordering. As a consequence, it is quite different from both valence bond crystals and spin glasses.

Superclimbing dislocation with a Coulomb-type interaction between jogs

NASA Astrophysics Data System (ADS)

Liu, Longxiang; Kuklov, Anatoly B.

2018-03-01

The main candidate for the superfluid pathways in solid 4He are dislocations with Burgers vector along the hcp symmetry axis. Here we focus on the quantum behavior of a generic edge dislocation which can perform superclimb; that is, it can climb due to the superflow along its core. The role of the long-range elastic interactions between jogs is addressed by Monte Carlo simulations. It is found that such interactions do not change qualitatively the phase diagram found without accounting for the long-range forces. Their main effect consists of renormalizing the effective scale determining the compressibility of the dislocation in the Tomonaga-Luttinger liquid phase. It is also found that the quantum rough phase of the dislocation can be well described within the Gaussian approximation which features off-diagonal long-range order (ODLRO) in one dimension for the superfluid order parameter along the core.

Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: explicit treatment of the vibronic transitions.

PubMed

D'Abramo, Marco; Aschi, Massimiliano; Amadei, Andrea

2014-04-28

Here, we extend a recently introduced theoretical-computational procedure [M. D'Alessandro, M. Aschi, C. Mazzuca, A. Palleschi, and A. Amadei, J. Chem. Phys. 139, 114102 (2013)] to include quantum vibrational transitions in modelling electronic spectra of atomic molecular systems in condensed phase. The method is based on the combination of Molecular Dynamics simulations and quantum chemical calculations within the Perturbed Matrix Method approach. The main aim of the presented approach is to reproduce as much as possible the spectral line shape which results from a subtle combination of environmental and intrinsic (chromophore) mechanical-dynamical features. As a case study, we were able to model the low energy UV-vis transitions of pyrene in liquid acetonitrile in good agreement with the experimental data.

Continuum Excitation and Pseudospin Wave in Quantum Spin-Liquid and Quadrupole Ordered States of Tb2+xTi2-xO7+y

NASA Astrophysics Data System (ADS)

Kadowaki, Hiroaki; Wakita, Mika; Fåk, Björn; Ollivier, Jacques; Ohira-Kawamura, Seiko; Nakajima, Kenji; Takatsu, Hiroshi; Tamai, Mototake

2018-06-01

The ground states of the frustrated pyrochlore oxide Tb2+xTi2-xO7+y have been studied by inelastic neutron scattering experiments. Three single-crystal samples are investigated; one shows no phase transition (x = -0.007 < xc ˜ -0.0025), being a putative quantum spin-liquid (QSL), and the other two (x = 0.000,0.003) show electric quadrupole ordering (QO) below Tc ˜ 0.5 K. The QSL sample shows continuum excitation spectra with an energy scale 0.1 meV as well as energy-resolution-limited (nominally) elastic scattering. As x is increased, pseudospin wave of the QO state emerges from this continuum excitation, which agrees with that of powder samples and consequently verifies good x control for the present single crystal samples.

Anharmonic effects in the quantum cluster equilibrium method

NASA Astrophysics Data System (ADS)

von Domaros, Michael; Perlt, Eva

2017-03-01

The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.

Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents.

PubMed

Borodin, Oleg; Smith, Grant D

2006-03-30

Classical many-body polarizable force fields were developed for n-alkanes, perflouroalkanes, polyethers, ketones, and linear and cyclic carbonates on the basis of quantum chemistry dimer energies of model compounds and empirical thermodynamic liquid-state properties. The dependence of the electron correlation contribution to the dimer binding energy on basis-set size and level of theory was investigated as a function of molecular separation for a number of alkane, ether, and ketone dimers. Molecular dynamics (MD) simulations of the force fields accurately predicted structural, dynamic, and transport properties of liquids and unentangled polymer melts. On average, gas-phase dimer binding energies predicted with the force field were between those from MP2/aug-cc-pvDz and MP2/aug-cc-pvTz quantum chemistry calculations.

Disordered Route to the Coulomb Quantum Spin Liquid: Random Transverse Fields on Spin Ice in Pr 2 Zr 2 O 7

DOE PAGES

Wen, J. -J.; Koohpayeh, S. M.; Ross, K. A.; ...

2017-03-08

Inelastic neutron scattering reveals a broad continuum of excitations in Pr 2 Zr 2 O 7 , the temperature and magnetic field dependence of which indicate a continuous distribution of quenched transverse fields ( Δ ) acting on the non-Kramers Pr 3 + crystal field ground state doublets. Spin-ice correlations are apparent within 0.2 meV of the Zeeman energy. In a random phase approximation an excellent account of the data is provided and contains a transverse field distribution ρ ( Δ ) ∝ ( Δ 2 + Γ 2 ) - 1 , where Γ = 0.27 ( 1 )more » meV . Established during high temperature synthesis due to an underlying structural instability, it appears disorder in Pr 2 Zr 2 O 7 actually induces a quantum spin liquid.« less

Interactions in the ionic liquid [EMIM][FAP]: a coupled experimental and computational analysis.

PubMed

Voroshylova, Iuliia V; Teixeira, Filipe; Costa, Renata; Pereira, Carlos M; Cordeiro, M Natália D S

2016-01-28

Gas-phase electronic and structural properties of the room temperature ionic liquid 1-ethyl-3-methylimidazolium tris(perfluoroethyl)trifluorophosphate ([EMIM][FAP]) were studied using density functional theory, and confirmed with results from infrared spectroscopy. A conformational analysis allowed the identification of several plausible conformers of the ion pairs. For the detected conformers, the infrared spectra were predicted and their thermodynamic properties were evaluated. The topology of the electronic density of the most stable conformers of [EMIM][FAP] ion pairs were characterised using the quantum theory of atoms in molecules. A number of possible hydrogen bonds between the cations and anions of the ionic liquid were identified. Excellent correspondence was found between the predicted spectra of gas-phase [EMIM][FAP] conformers and the experimental infrared spectrum, which in turn allowed a clear attribution of the vibration modes of [EMIM][FAP]. Finally, the contribution of the various conformers of both isomers of the [FAP](-) anion to the ionic liquid macro-properties is shown.

Symmetry-protected topological phases of one-dimensional interacting fermions with spin-charge separation

NASA Astrophysics Data System (ADS)

Montorsi, Arianna; Dolcini, Fabrizio; Iotti, Rita C.; Rossi, Fausto

2017-06-01

The low energy behavior of a huge variety of one-dimensional interacting spinful fermionic systems exhibits spin-charge separation, described in the continuum limit by two sine-Gordon models decoupled in the charge and spin channels. Interaction is known to induce, besides the gapless Luttinger liquid phase, eight possible gapped phases, among which are the Mott, Haldane, charge-/spin-density, and bond-ordered wave insulators, and the Luther Emery liquid. Here we prove that some of these physically distinct phases have nontrivial topological properties, notably the presence of degenerate protected edge modes with fractionalized charge/spin. Moreover, we show that the eight gapped phases are in one-to-one correspondence with the symmetry-protected topological (SPT) phases classified by group cohomology theory in the presence of particle-hole symmetry P. The latter result is also exploited to characterize SPT phases by measurable nonlocal order parameters which follow the system evolution to the quantum phase transition. The implications on the appearance of exotic orders in the class of microscopic Hubbard Hamiltonians, possibly without P symmetry at higher energies, are discussed.

Spin-orbital quantum liquid on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Corboz, Philippe

2013-03-01

The symmetric Kugel-Khomskii can be seen as a minimal model describing the interactions between spin and orbital degrees of freedom in transition-metal oxides with orbital degeneracy, and it is equivalent to the SU(4) Heisenberg model of four-color fermionic atoms. We present simulation results for this model on various two-dimensional lattices obtained with infinite projected-entangled pair states (iPEPS), an efficient variational tensor-network ansatz for two dimensional wave functions in the thermodynamic limit. This approach can be seen as a two-dimensional generalization of matrix product states - the underlying ansatz of the density matrix renormalization group method. We find a rich variety of exotic phases: while on the square and checkerboard lattices the ground state exhibits dimer-Néel order and plaquette order, respectively, quantum fluctuations on the honeycomb lattice destroy any order, giving rise to a spin-orbital liquid. Our results are supported from flavor-wave theory and exact diagonalization. Furthermore, the properties of the spin-orbital liquid state on the honeycomb lattice are accurately accounted for by a projected variational wave-function based on the pi-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the ground state is an algebraic spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba3CuSb2O9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms. We acknowledge the financial support from the Swiss National Science Foundation.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

DOE PAGES

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; ...

2017-12-15

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less

Model of chiral spin liquids with Abelian and non-Abelian topological phases

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

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less

Entanglement in a solid-state spin ensemble.

PubMed

Simmons, Stephanie; Brown, Richard M; Riemann, Helge; Abrosimov, Nikolai V; Becker, Peter; Pohl, Hans-Joachim; Thewalt, Mike L W; Itoh, Kohei M; Morton, John J L

2011-02-03

Entanglement is the quintessential quantum phenomenon. It is a necessary ingredient in most emerging quantum technologies, including quantum repeaters, quantum information processing and the strongest forms of quantum cryptography. Spin ensembles, such as those used in liquid-state nuclear magnetic resonance, have been important for the development of quantum control methods. However, these demonstrations contain no entanglement and ultimately constitute classical simulations of quantum algorithms. Here we report the on-demand generation of entanglement between an ensemble of electron and nuclear spins in isotopically engineered, phosphorus-doped silicon. We combined high-field (3.4 T), low-temperature (2.9 K) electron spin resonance with hyperpolarization of the (31)P nuclear spin to obtain an initial state of sufficient purity to create a non-classical, inseparable state. The state was verified using density matrix tomography based on geometric phase gates, and had a fidelity of 98% relative to the ideal state at this field and temperature. The entanglement operation was performed simultaneously, with high fidelity, on 10(10) spin pairs; this fulfils one of the essential requirements for a silicon-based quantum information processor.

Phase-Locked Semiconductor Quantum Well Laser Arrays.

DTIC Science & Technology

1987-03-01

heated monocrystalline substrate. 149 APPENDIX B. A TECHNOLOGICAL APPENDIX 150 The general topic of molecular beam epitaxy (MBE) of compound semi...APPENDIX B. A TECHNOLOGICAL APPENDIX 151 - MONOCRYSTALLINE GaAs SUBSTRATE MOLECULAR / BEAMS...for 30 minutes at 300 C. During this time, the growth chamber cryo- panel is cooled with liquid nitrogen and the sources in the effusion cells are

Field-temperature phase diagram and entropy landscape of CeAuSb 2

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

Zhao, Lishan; Yelland, Edward A.; Bruin, Jan A. N.

2016-05-12

Here, we report a field-temperature phase diagram and an entropy map for the heavy-fermion compound CeAuSb 2. CeAuSb 2 orders antiferromagnetically below T N = 6.6 K and has two metamagnetic transitions, at 2.8 and 5.6 T. The locations of the critical end points of the metamagnetic transitions, which may play a strong role in the putative quantum criticality of CeAuSb 2 and related compounds, are identified. The entropy map reveals an apparent entropy balance with Fermi-liquid behavior, implying that above the Neel transition the Ce moments are incorporated into the Fermi liquid. High-field data showing that the magnetic behaviormore » is remarkably anisotropic are also reported.« less

Electron spin resonance modes in a strong-leg ladder in the Tomonaga-Luttinger liquid phase

NASA Astrophysics Data System (ADS)

Ozerov, M.; Maksymenko, M.; Wosnitza, J.; Honecker, A.; Landee, C. P.; Turnbull, M. M.; Furuya, S. C.; Giamarchi, T.; Zvyagin, S. A.

2015-12-01

Magnetic excitations in the strong-leg quantum spin ladder compound (C7H10N) 2CuBr4 (known as DIMPY) in the field-induced Tomonaga-Luttinger spin-liquid phase are studied by means of high-field electron spin resonance (ESR) spectroscopy. The presence of a gapped ESR mode with unusual nonlinear frequency-field dependence is revealed experimentally. Using a combination of analytic and exact-diagonalization methods, we compute the dynamical structure factor and identify this mode with longitudinal excitations in the antisymmetric channel. We argue that these excitations constitute a fingerprint of the spin dynamics in a strong-leg spin-1/2 Heisenberg antiferromagnetic ladder and owe their ESR observability to the uniform Dzyaloshinskii-Moriya interaction.

Ferroelectricity by Bose-Einstein condensation in a quantum magnet.

PubMed

Kimura, S; Kakihata, K; Sawada, Y; Watanabe, K; Matsumoto, M; Hagiwara, M; Tanaka, H

2016-09-26

The Bose-Einstein condensation is a fascinating phenomenon, which results from quantum statistics for identical particles with an integer spin. Surprising properties, such as superfluidity, vortex quantization or Josephson effect, appear owing to the macroscopic quantum coherence, which spontaneously develops in Bose-Einstein condensates. Realization of Bose-Einstein condensation is not restricted in fluids like liquid helium, a superconducting phase of paired electrons in a metal and laser-cooled dilute alkali atoms. Bosonic quasi-particles like exciton-polariton and magnon in solids-state systems can also undergo Bose-Einstein condensation in certain conditions. Here, we report that the quantum coherence in Bose-Einstein condensate of the magnon quasi particles yields spontaneous electric polarization in the quantum magnet TlCuCl 3 , leading to remarkable magnetoelectric effect. Very soft ferroelectricity is realized as a consequence of the O(2) symmetry breaking by magnon Bose-Einstein condensation. The finding of this ferroelectricity will open a new window to explore multi-functionality of quantum magnets.

Optical probing of the metal-to-insulator transition in a two-dimensional high-mobility electron gas

NASA Astrophysics Data System (ADS)

Dionigi, F.; Rossella, F.; Bellani, V.; Amado, M.; Diez, E.; Kowalik, K.; Biasiol, G.; Sorba, L.

2011-06-01

We study the quantum Hall liquid and the metal-insulator transition in a high-mobility two-dimensional electron gas, by means of photoluminescence and magnetotransport measurements. In the integer and fractional regime at ν>1/3, by analyzing the emission energy dispersion we probe the magneto-Coulomb screening and the hidden symmetry of the electron liquid. In the fractional regime above ν=1/3, the system undergoes metal-to-insulator transition, and in the insulating phase the dispersion becomes linear with evidence of an increased renormalized mass.

Classification and properties of quantum spin liquids on the hyperhoneycomb lattice

NASA Astrophysics Data System (ADS)

Huang, Biao; Choi, Wonjune; Kim, Yong Baek; Lu, Yuan-Ming

2018-05-01

The family of "Kitaev materials" provides an ideal platform to study quantum spin liquids and their neighboring magnetic orders. Motivated by the possibility of a quantum spin liquid ground state in pressurized hyperhoneycomb iridate β -Li2IrO3 , we systematically classify and study symmetric quantum spin liquids on the hyperhoneycomb lattice, using the Abrikosov-fermion representation. Among the 176 symmetric U (1 ) spin liquids (and 160 Z2 spin liquids), we identify eight "root" U (1 ) spin liquids in proximity to the ground state of the solvable Kitave model on the hyperhonecyomb lattice. These eight states are promising candidates for possible U (1 ) spin liquid ground states in pressurized β -Li2IrO3 . We further discuss physical properties of these eight U (1 ) spin liquid candidates, and show that they all support nodal-line-shaped spinon Fermi surfaces.

Quantum oscillations in vortex-liquids

NASA Astrophysics Data System (ADS)

Banerjee, Sumilan; Zhang, Shizhong; Randeria, Mohit

2012-02-01

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

Interactions of ionic liquids and acetone: thermodynamic properties, quantum-chemical calculations, and NMR analysis.

PubMed

Ruiz, Elia; Ferro, Victor R; Palomar, Jose; Ortega, Juan; Rodriguez, Juan Jose

2013-06-20

The interactions between ionic liquids (ILs) and acetone have been studied to obtain a further understanding of the behavior of their mixtures, which generally give place to an exothermic process, mutual miscibility, and negative deviation of Raoult's law. COSMO-RS was used as a suitable computational method to systematically analyze the excess enthalpy of IL-acetone systems (>300), in terms of the intermolecular interactions contributing to the mixture behavior. Spectroscopic and COSMO-RS results indicated that acetone, as a polar compound with strong hydrogen bond acceptor character, in most cases, establishes favorable hydrogen bonding with ILs. This interaction is strengthened by the presence of an acidic cation and an anion with dispersed charge and non-HB acceptor character in the IL. COSMO-RS predictions indicated that gas-liquid and vapor-liquid equilibrium data for IL-acetone systems can be finely tuned by the IL selection, that is, acting on the intermolecular interactions between the molecular and ionic species in the liquid phase. NMR measurements for IL-acetone mixtures at different concentrations were also carried out. Quantum-chemical calculations by using molecular clusters of acetone and IL species were finally performed. These results provided additional evidence of the main role played by hydrogen bonding in the behavior of systems containing ILs and HB acceptor compounds, such as acetone.

Iridates and RuCl3 - from Heisenberg antiferromagnets to potential Kitaev spin-liquids

NASA Astrophysics Data System (ADS)

van den Brink, Jeroen

The observed richness of topological states on the single-electron level prompts the question what kind of topological phases can develop in more strongly correlated, many-body electron systems. Correlation effects, in particular intra- and inter-orbital electron-electron interactions, are very substantial in 3 d transition-metal compounds such as the copper oxides, but the spin-orbit coupling (SOC) is weak. In 5 d transition-metal compounds such as iridates, the interesting situation arises that the SOC and Coulomb interactions meet on the same energy scale. The electronic structure of iridates thus depends on a strong competition between the electronic hopping amplitudes, local energy-level splittings, electron-electron interaction strengths, and the SOC of the Ir 5d electrons. The interplay of these ingredients offers the potential to stabilise relatively well-understood states such as a 2D Heisenberg-like antiferromagnet in Sr2IrO4, but in principle also far more exotic ones, such a topological Kitaev quantum spin liquid, in (hyper)honeycomb iridates. I will discuss the microscopic electronic structures of these iridates, their proximity to idealized Heisenberg and Kitaev models and our contributions to establishing the physical factors that appear to have preempted the realization of quantum spin liquid phases so far and include a discussion on the 4d transition metal chloride RuCl3. Supported by SFB 1143 of the Deutsche Forschungsgemeinschaft.

Effect of cation-anion interactions on the structural and vibrational properties of 1-buthyl-3-methyl imidazolium nitrate ionic liquid

NASA Astrophysics Data System (ADS)

Kausteklis, Jonas; Aleksa, Valdemaras; Iramain, Maximiliano A.; Brandán, Silvia Antonia

2018-07-01

The cation-anion interactions present in the 1-butyl-3-methylimidazolium nitrate ionic liquid [BMIm][NO3] were studied by using density functional theory (DFT) calculations and the experimental FT-Raman spectrum in liquid phase and its available FT-IR spectrum. For the three most stable conformers found in the potential energy surface and their 1-butyl-3-methylimidazolium [BMIm] cation, the atomic charges, molecular electrostatic potentials, stabilization energies, bond orders and topological properties were computed by using NBO and AIM calculations and the hybrid B3LYP level of theory with the 6-31G* and 6-311++G** basis sets. The force fields, force constants and complete vibrational assignments were also reported for those species by using their internal coordinates and the scaled quantum mechanical force field (SQMFF) approach. The dimeric species of [BMIm][NO3] were also considered because their presence could probably explain the most intense bands observed at 1344 and 1042 cm-1 in both experimental FT-IR and FT-Raman spectra, respectively. The geometrical parameters suggest monodentate cation-anion coordination while the studies by charges, NBO and AIM calculations support bidentate coordinations between those two species. Additionally several quantum chemical descriptors were also calculated in order to interpret various molecular properties such as electronic structure, reactivity of those species and predict their gas phase behaviours.

Phosphorene quantum dots

NASA Astrophysics Data System (ADS)

Vishnoi, Pratap; Mazumder, Madhulika; Barua, Manaswee; Pati, Swapan K.; Rao, C. N. R.

2018-05-01

Phosphorene, a two-dimensional material, has been a subject of recent investigations. In the present study, we have prepared blue fluorescent phosphorene quantum dots (PQDs) by liquid phase exfoliation of black phosphorus in two non-polar solvents, toluene and mesitylene. The average particle sizes of PQDs decrease from 5.0 to 1.0 nm on increasing the sonicator power from 150 to 225 W. The photoluminescence spectrum of the PQDs is red-shifted in the 395-470 nm range on increasing the excitation-wavelength from 300 to 480 nm. Electron donor and acceptor molecules quench the photoluminescence, with the acceptors showing more marked effects.

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

NASA Astrophysics Data System (ADS)

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp; Huy Pham, C.; Riera, Marc; Moberg, Daniel R.; Morales, Miguel A.; Knight, Chris; Götz, Andreas W.; Paesani, Francesco

2016-11-01

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulations as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water.

Polyacetylene liquid crystals: new mesomorphic materials with high thermal stability and novel light-emitting properties

NASA Astrophysics Data System (ADS)

Tang, Ben Z.; Lam, Jacky W. Y.; Lai, Lo M.; Xie, Zhiliang; Kwok, Hoi S.

2003-12-01

A series of new disubstituted liquid crystalline polyacetylenes (LCPAs) with general molecular structures of -{(R)C=C[(CH2)m-Mes]}n- and -[(C6H13)C=C(C6H4-Mes)]n- (R = CH3, C6H5, m = 3, 4, 9, Mes = mesogen) have been designed and synthesized. All the LCPAs are thermally stable and do not loss their weights when heated to a temperature as high as 400 deg.C. While a few polymers exhibit nematicity, most of them form enantiotropic SA phase of monolayer structure. Upon photoexcitation, the polymers emit intense UV and blue lights with quantum yield up to 81%. Multilayer light-emitting diodes with a device configuration of ITO/PVK/PA/LiF/Al are constructed, which emits blue light with maximum luminance and external quantum efficiency of 119 cd/m2 and 0.12%, respectively.

New type of quantum criticality in the pyrochlore iridates

DOE PAGES

Savary, Lucile; Moon, Eun -Gook; Balents, Leon

2014-11-13

Magnetic fluctuations and electrons couple in intriguing ways in the vicinity of zero-temperature phase transitions—quantum critical points—in conducting materials. Quantum criticality is implicated in non-Fermi liquid behavior of diverse materials and in the formation of unconventional superconductors. Here, we uncover an entirely new type of quantum critical point describing the onset of antiferromagnetism in a nodal semimetal engendered by the combination of strong spin-orbit coupling and electron correlations, and which is predicted to occur in the iridium oxide pyrochlores. We formulate and solve a field theory for this quantum critical point by renormalization group techniques and show that electrons andmore » antiferromagnetic fluctuations are strongly coupled and that both these excitations are modified in an essential way. This quantum critical point has many novel features, including strong emergent spatial anisotropy, a vital role for Coulomb interactions, and highly unconventional critical exponents. Our theory motivates and informs experiments on pyrochlore iridates and constitutes a singular realistic example of a nontrivial quantum critical point with gapless fermions in three dimensions.« less

Ionic liquids. Combination of combustion calorimetry with high-level quantum chemical calculations for deriving vaporization enthalpies.

PubMed

Emel'yanenko, Vladimir N; Verevkin, Sergey P; Heintz, Andreas; Schick, Christoph

2008-07-10

In this work, the molar enthalpies of formation of the ionic liquids [C2MIM][NO3] and [C4MIM][NO3] were measured by means of combustion calorimetry. The molar enthalpy of fusion of [C2MIM][NO3] was measured using differential scanning calorimetry. Ab initio calculations of the enthalpy of formation in the gaseous phase have been performed for the ionic species using the G3MP2 theory. We have used a combination of traditional combustion calorimetry with modern high-level ab initio calculations in order to obtain the molar enthalpies of vaporization of a series of the ionic liquids under study.

Raman spectral evidence of methyl rotation in liquid toluene.

PubMed

Kapitán, Josef; Hecht, Lutz; Bour, Petr

2008-02-21

In order to rationalize subtle details in the liquid phase toluene Raman backscattering spectra, an analysis was performed based on a quantum-mechanical Hamiltonian operator comprising rotation of the methyl group and the angular dependence of vibrational frequencies and polarizability derivatives. The separation of the methyl torsion from the other vibrational motions appears to be necessary in order to explain relative intensity ratios of several bands and an anomalous broadening of spectral intensity observed at 1440 cm(-1). These results suggest that the CH3 group in the liquid phase rotates almost freely, similarly as in the gaseous phase, and that the molecule consequently exhibits effectively C(2v) point group symmetry. A classical description and an adiabatic separation of the methyl rotation from other molecular motion previously used in peptide models is not applicable to toluene because of a strong coupling with other vibrational motions. Density functional computations, particularly the BPW91 functional, provide reasonable estimates of harmonic frequencies and spectral intensities, as well as qualitatively correct fourth-order anharmonic corrections to the vibrational potential.

Nematic order on the surface of a three-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Lundgren, Rex; Yerzhakov, Hennadii; Maciejko, Joseph

2017-12-01

We study the spontaneous breaking of rotational symmetry in the helical surface state of three-dimensional topological insulators due to strong electron-electron interactions, focusing on time-reversal invariant nematic order. Owing to the strongly spin-orbit coupled nature of the surface state, the nematic order parameter is linear in the electron momentum and necessarily involves the electron spin, in contrast with spin-degenerate nematic Fermi liquids. For a chemical potential at the Dirac point (zero doping), we find a first-order phase transition at zero temperature between isotropic and nematic Dirac semimetals. This extends to a thermal phase transition that changes from first to second order at a finite-temperature tricritical point. At finite doping, we find a transition between isotropic and nematic helical Fermi liquids that is second order even at zero temperature. Focusing on finite doping, we discuss various observable consequences of nematic order, such as anisotropies in transport and the spin susceptibility, the partial breakdown of spin-momentum locking, collective modes and induced spin fluctuations, and non-Fermi-liquid behavior at the quantum critical point and in the nematic phase.

Higgs transition from a magnetic Coulomb liquid to a ferromagnet in Yb2Ti2O7

PubMed Central

Chang, Lieh-Jeng; Onoda, Shigeki; Su, Yixi; Kao, Ying-Jer; Tsuei, Ku-Ding; Yasui, Yukio; Kakurai, Kazuhisa; Lees, Martin Richard

2012-01-01

In a class of frustrated magnets known as spin ice, magnetic monopoles emerge as classical defects and interact via the magnetic Coulomb law. With quantum-mechanical interactions, these magnetic charges are carried by fractionalized bosonic quasi-particles, spinons, which can undergo Bose–Einstein condensation through a first-order transition via the Higgs mechanism. Here, we report evidence of a Higgs transition from a magnetic Coulomb liquid to a ferromagnet in single-crystal Yb2Ti2O7. Polarized neutron scattering experiments show that the diffuse [111]-rod scattering and pinch-point features, which develop on cooling are suddenly suppressed below TC~0.21 K, where magnetic Bragg peaks and a full depolarization of the neutron spins are observed with thermal hysteresis, indicating a first-order ferromagnetic transition. Our results are explained on the basis of a quantum spin-ice model, whose high-temperature phase is effectively described as a magnetic Coulomb liquid, whereas the ground state shows a nearly collinear ferromagnetism with gapped spin excitations. PMID:22871811

Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signatures

NASA Astrophysics Data System (ADS)

Valverde, Danillo; da Costa Ludwig, Zélia Maria; da Costa, Célia Regina; Ludwig, Valdemir; Georg, Herbert C.

2018-01-01

At physiological conditions, myriads of biomolecules (e.g., amino acids, peptides, and proteins) exist predominantly in the zwitterionic structural form and their biological functions will result in these conditions. However these geometrical structures are inaccessible energetically in the gas phase, and at this point, stabilization of amino-acids in physiological conditions is still under debate. In this paper, the electronic properties of a glycine molecule in the liquid environment were studied by performing a relaxation of the glycine geometry in liquid water using the free energy gradient method combined with a sequential quantum mechanics/molecular mechanics approach. A series of Monte Carlo Metropolis simulations of the glycine molecule embedded in liquid water, followed by only a quantum mechanical calculation in each of them were carried out. Both the local and global liquid environments were emphasized to obtain nuclear magnetic resonance (NMR) parameters for the glycine molecule in liquid water. The results of the equilibrium structure in solution and the systematic study of the hydrogen bonds were used to discard the direct proton transfer from the carboxyl group to the ammonium group of the glycine molecule in water solution. The calculations of the Density Functional Theory (DFT) were performed to study the polarization of the solvent in the parameters of nuclear magnetic resonance of the glycine molecule in liquid water. DFT calculations predicted isotropic chemical changes on the H, C, N, and O atoms of glycine in liquid water solution which agree with the available experimental data.

On the mode-coupling treatment of collective density fluctuations for quantum liquids: para-hydrogen and normal liquid helium.

PubMed

Kletenik-Edelman, Orly; Reichman, David R; Rabani, Eran

2011-01-28

A novel quantum mode coupling theory combined with a kinetic approach is developed for the description of collective density fluctuations in quantum liquids characterized by Boltzmann statistics. Three mode-coupling approximations are presented and applied to study the dynamic response of para-hydrogen near the triple point and normal liquid helium above the λ-transition. The theory is compared with experimental results and to the exact imaginary time data generated by path integral Monte Carlo simulations. While for liquid para-hydrogen the combination of kinetic and quantum mode-coupling theory provides semi-quantitative results for both short and long time dynamics, it fails for normal liquid helium. A discussion of this failure based on the ideal gas limit is presented.

Phase Transition Control for High Performance Ruddlesden-Popper Perovskite Solar Cells.

PubMed

Zhang, Xu; Munir, Rahim; Xu, Zhuo; Liu, Yucheng; Tsai, Hsinhan; Nie, Wanyi; Li, Jianbo; Niu, Tianqi; Smilgies, Detlef-M; Kanatzidis, Mercouri G; Mohite, Aditya D; Zhao, Kui; Amassian, Aram; Liu, Shengzhong Frank

2018-05-01

Ruddlesden-Popper reduced-dimensional hybrid perovskite (RDP) semiconductors have attracted significant attention recently due to their promising stability and excellent optoelectronic properties. Here, the RDP crystallization mechanism in real time from liquid precursors to the solid film is investigated, and how the phase transition kinetics influences phase purity, quantum well orientation, and photovoltaic performance is revealed. An important template-induced nucleation and growth of the desired (BA) 2 (MA) 3 Pb 4 I 13 phase, which is achieved only via direct crystallization without formation of intermediate phases, is observed. As such, the thermodynamically preferred perpendicular crystal orientation and high phase purity are obtained. At low temperature, the formation of intermediate phases, including PbI 2 crystals and solvate complexes, slows down intercalation of ions and increases nucleation barrier, leading to formation of multiple RDP phases and orientation randomness. These insights enable to obtain high quality (BA) 2 (MA) 3 Pb 4 I 13 films with preferentially perpendicular quantum well orientation, high phase purity, smooth film surface, and improved optoelectronic properties. The resulting devices exhibit high power conversion efficiency of 12.17%. This work should help guide the perovskite community to better control Ruddlesden-Popper perovskite structure and further improve optoelectronic and solar cell devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantum criticality among entangled spin chains

DOE PAGES

Blanc, N.; Trinh, J.; Dong, L.; ...

2017-12-11

Here, an important challenge in magnetism is the unambiguous identification of a quantum spin liquid, of potential importance for quantum computing. In such a material, the magnetic spins should be fluctuating in the quantum regime, instead of frozen in a classical long-range-ordered state. While this requirement dictates systems wherein classical order is suppressed by a frustrating lattice, an ideal system would allow tuning of quantum fluctuations by an external parameter. Conventional three-dimensional antiferromagnets can be tuned through a quantum critical point—a region of highly fluctuating spins—by an applied magnetic field. Such systems suffer from a weak specific-heat peak at themore » quantum critical point, with little entropy available for quantum fluctuations. Here we study a different type of antiferromagnet, comprised of weakly coupled antiferromagnetic spin-1/2 chains as realized in the molecular salt K 2PbCu(NO 2) 6. Across the temperature–magnetic field boundary between three-dimensional order and the paramagnetic phase, the specific heat exhibits a large peak whose magnitude approaches a value suggestive of the spinon Sommerfeld coefficient of isolated quantum spin chains. These results demonstrate an alternative approach for producing quantum matter via a magnetic-field-induced shift of entropy from one-dimensional short-range order to a three-dimensional quantum critical point.« less

Quantum criticality among entangled spin chains

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

Blanc, N.; Trinh, J.; Dong, L.

Here, an important challenge in magnetism is the unambiguous identification of a quantum spin liquid, of potential importance for quantum computing. In such a material, the magnetic spins should be fluctuating in the quantum regime, instead of frozen in a classical long-range-ordered state. While this requirement dictates systems wherein classical order is suppressed by a frustrating lattice, an ideal system would allow tuning of quantum fluctuations by an external parameter. Conventional three-dimensional antiferromagnets can be tuned through a quantum critical point—a region of highly fluctuating spins—by an applied magnetic field. Such systems suffer from a weak specific-heat peak at themore » quantum critical point, with little entropy available for quantum fluctuations. Here we study a different type of antiferromagnet, comprised of weakly coupled antiferromagnetic spin-1/2 chains as realized in the molecular salt K 2PbCu(NO 2) 6. Across the temperature–magnetic field boundary between three-dimensional order and the paramagnetic phase, the specific heat exhibits a large peak whose magnitude approaches a value suggestive of the spinon Sommerfeld coefficient of isolated quantum spin chains. These results demonstrate an alternative approach for producing quantum matter via a magnetic-field-induced shift of entropy from one-dimensional short-range order to a three-dimensional quantum critical point.« less

Quantum criticality among entangled spin chains

NASA Astrophysics Data System (ADS)

Blanc, N.; Trinh, J.; Dong, L.; Bai, X.; Aczel, A. A.; Mourigal, M.; Balents, L.; Siegrist, T.; Ramirez, A. P.

2018-03-01

An important challenge in magnetism is the unambiguous identification of a quantum spin liquid1,2, of potential importance for quantum computing. In such a material, the magnetic spins should be fluctuating in the quantum regime, instead of frozen in a classical long-range-ordered state. While this requirement dictates systems3,4 wherein classical order is suppressed by a frustrating lattice5, an ideal system would allow tuning of quantum fluctuations by an external parameter. Conventional three-dimensional antiferromagnets can be tuned through a quantum critical point—a region of highly fluctuating spins—by an applied magnetic field. Such systems suffer from a weak specific-heat peak at the quantum critical point, with little entropy available for quantum fluctuations6. Here we study a different type of antiferromagnet, comprised of weakly coupled antiferromagnetic spin-1/2 chains as realized in the molecular salt K2PbCu(NO2)6. Across the temperature-magnetic field boundary between three-dimensional order and the paramagnetic phase, the specific heat exhibits a large peak whose magnitude approaches a value suggestive of the spinon Sommerfeld coefficient of isolated quantum spin chains. These results demonstrate an alternative approach for producing quantum matter via a magnetic-field-induced shift of entropy from one-dimensional short-range order to a three-dimensional quantum critical point.

Quantum liquid droplets in a mixture of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Cabrera, C. R.; Tanzi, L.; Sanz, J.; Naylor, B.; Thomas, P.; Cheiney, P.; Tarruell, L.

2018-01-01

Quantum droplets are small clusters of atoms self-bound by the balance of attractive and repulsive forces. Here, we report on the observation of droplets solely stabilized by contact interactions in a mixture of two Bose-Einstein condensates. We demonstrate that they are several orders of magnitude more dilute than liquid helium by directly measuring their size and density via in situ imaging. We show that the droplets are stablized against collapse by quantum fluctuations and that they require a minimum atom number to be stable. Below that number, quantum pressure drives a liquid-to-gas transition that we map out as a function of interaction strength. These ultradilute isotropic liquids remain weakly interacting and constitute an ideal platform to benchmark quantum many-body theories.

Explicit polarization: a quantum mechanical framework for developing next generation force fields.

PubMed

Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

2014-09-16

Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples involving water clusters (which show the power of two-body corrections), ethylmethylimidazolium acetate ionic liquids (which reveal that the amount of charge transfer between anion and cation is much smaller than what has been assumed in some classical simulations), and a solvated protein in aqueous solution (which shows that the average charge distribution of carbonyl groups along the polypeptide chain depends strongly on their position in the sequence, whereas they are fixed in most classical force fields). The development of QMFFs also offers an opportunity to extend the accuracy of biochemical simulations to areas where classical force fields are often insufficient, especially in the areas of spectroscopy, reactivity, and enzyme catalysis.

Particle formation and ordering in strongly correlated fermionic systems: Solving a model of quantum chromodynamics

DOE PAGES

Azaria, P.; Konik, R. M.; Lecheminant, P.; ...

2016-08-03

In our paper we study a (1+1)-dimensional version of the famous Nambu–Jona-Lasinio model of quantum chromodynamics (QCD2) both at zero and at finite baryon density. We use nonperturbative techniques (non-Abelian bosonization and the truncated conformal spectrum approach). When the baryon chemical potential, μ, is zero, we describe the formation of fermion three-quark (nucleons and Δ baryons) and boson (two-quark mesons, six-quark deuterons) bound states. We also study at μ=0 the formation of a topologically nontrivial phase. When the chemical potential exceeds the critical value and a finite baryon density appears, the model has a rich phase diagram which includes phasesmore » with a density wave and superfluid quasi-long-range (QLR) order, as well as a phase of a baryon Tomonaga-Luttinger liquid (strange metal). Finally, the QLR order results in either a condensation of scalar mesons (the density wave) or six-quark bound states (deuterons).« less

Fermionic spin liquid analysis of the paramagnetic state in volborthite

NASA Astrophysics Data System (ADS)

Chern, Li Ern; Schaffer, Robert; Sorn, Sopheak; Kim, Yong Baek

2017-10-01

Recently, thermal Hall effect has been observed in the paramagnetic state of volborthite, which consists of distorted kagome layers with S =1 /2 local moments. Despite the appearance of magnetic order below 1 K , the response to external magnetic field and unusual properties of the paramagnetic state above 1 K suggest possible realization of exotic quantum phases. Motivated by these discoveries, we investigate possible spin liquid phases with fermionic spinon excitations in a nonsymmorphic version of the kagome lattice, which belongs to the two-dimensional crystallographic group p 2 g g . This nonsymmorphic structure is consistent with the spin model obtained in the density functional theory calculation. Using projective symmetry group analysis and fermionic parton mean field theory, we identify twelve distinct Z2 spin liquid states, four of which are found to have correspondence in the eight Schwinger boson spin liquid states we classified earlier. We focus on the four fermionic states with bosonic counterpart and find that the spectrum of their corresponding root U (1 ) states features spinon Fermi surface. The existence of spinon Fermi surface in candidate spin liquid states may offer a possible explanation of the finite thermal Hall conductivity observed in volborthite.

Phase Transitions of Triflate-Based Ionic Liquids under High Pressure.

PubMed

Faria, Luiz F O; Ribeiro, Mauro C C

2015-11-05

Raman spectroscopy has been used to study phase transitions of ionic liquids based on the triflate anion, [TfO](-), as a function of pressure or temperature. Raman spectra of ionic liquids containing the cations 1-butyl-3-methylimidazolium, [C4C1Im](+), 1-octyl-3-methylimidazolium, [C8C1Im](+), 1-butyl-2,3-dimethylimidazolium, [C4C1C1Im](+), and 1-butyl-1-methylpyrrolidinium, [C4C1Pyr](+), were compared. Vibrational frequencies and binding energy of ionic pairs were calculated by quantum chemistry methods. The ionic liquids [C4C1Im][TfO] and [C4C1Pyr][TfO] crystallize at 1.0 GPa when the pressure is increased in steps of ∼ 0.2 GPa from the atmospheric pressure, whereas [C8C1Im][TfO] and [C4C1C1Im][TfO] do not crystallize up to 2.3 GPa of applied pressure. The low-frequency range of the Raman spectrum of [C4C1Im][TfO] indicates that the system undergoes glass transition, rather than crystallization, when the pressure applied on the liquid has been increased above 2.0 GPa in a single step. Strong hysteresis of spectral features (frequency shift and bandwidth) of the high-pressure crystalline phase when the pressure was released stepwise back to the atmospheric pressure has been found .

Atomic and Molecular Dynamics on and in Superfluid Helium Nanodroplets

NASA Astrophysics Data System (ADS)

Lehmann, Kevin K.

2003-03-01

Studies of intramolecular and intermolecular dynamics is at the core of Molecular Spectroscopic research several decades. Gas phase, particularly molecular beam, studies have greatly illuminated these processes in isolated molecules, bimolecular collisions, or small covalent and van der Waals complexes. Parallel to this effort have been studies in condensed phases, but there has unfortunately been little intellectual contact between these. The recent development of Helium Nanodropet Isolation Spectroscopy is providing an intellectual bridge between gas phase and condensed phase spectroscopy. While droplets of 10,000 He atoms are effectively a condensed phase, their low temperature ( 0.4 K) and ultralow heat capacities combined with their superfluid state make them an almost ideal matrix in which to study both molecular dynamics, including solute induced relaxations. The nsec times scales for many of the relaxation events, orders of magnitude slower than in classical liquids, results in spectra with unprecedented resolution for the liquid state. In this talk, studies of the Princeton group will be highlighted, with particular emphasis on those for which a combination of theory and experiment have combined to reveal dynamics in this unique Quantum Fluid.

Bond Order Correlations in the 2D Hubbard Model

NASA Astrophysics Data System (ADS)

Moore, Conrad; Abu Asal, Sameer; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

We use the dynamical cluster approximation to study the bond correlations in the Hubbard model with next nearest neighbor (nnn) hopping to explore the region of the phase diagram where the Fermi liquid phase is separated from the pseudogap phase by the Lifshitz line at zero temperature. We implement the Hirsch-Fye cluster solver that has the advantage of providing direct access to the computation of the bond operators via the decoupling field. In the pseudogap phase, the parallel bond order susceptibility is shown to persist at zero temperature while it vanishes for the Fermi liquid phase which allows the shape of the Lifshitz line to be mapped as a function of filling and nnn hopping. Our cluster solver implements NVIDIA's CUDA language to accelerate the linear algebra of the Quantum Monte Carlo to help alleviate the sign problem by allowing for more Monte Carlo updates to be performed in a reasonable amount of computation time. Work supported by the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.

Visualization of Membrane Rafts Using a Perylene Monoimide Derivative and Fluorescence Lifetime Imaging

PubMed Central

Margineanu, Anca; Hotta, Jun-ichi; Van der Auweraer, Mark; Ameloot, Marcel; Stefan, Alina; Beljonne, David; Engelborghs, Yves; Herrmann, Andreas; Müllen, Klaus; De Schryver, Frans C.; Hofkens, Johan

2007-01-01

A new membrane probe, based on the perylene imide chromophore, with excellent photophysical properties (high absorption coefficient, quantum yield (QY) ≈ 1, high photostability) and excited in the visible domain is proposed for the study of membrane rafts. Visualization of separation between the liquid-ordered (Lo) and the liquid-disordered (Ld) phases can be achieved in artificial membranes by fluorescence lifetime imaging due to the different decay times of the membrane probe in the two phases. Rafts on micrometer-scale in cell membranes due to cellular activation can also be observed by this method. The decay time of the dye in the Lo phase is higher than in organic solvents where its QY is 1. This allows proposing a (possible general) mechanism for the decay time increase in the Lo phase, based on the local field effects of the surrounding molecules. For other fluorophores with QY < 1, the suggested mechanism could also contribute, in addition to effects reducing the nonradiative decay pathways, to an increase of the fluorescence decay time in the Lo phase. PMID:17573424

Ultra-robust high-field magnetization plateau and supersolidity in bond-frustrated MnCr2S4

PubMed Central

Tsurkan, Vladimir; Zherlitsyn, Sergei; Prodan, Lilian; Felea, Viorel; Cong, Pham Thanh; Skourski, Yurii; Wang, Zhe; Deisenhofer, Joachim; von Nidda, Hans-Albrecht Krug; Wosnitza, Joahim; Loidl, Alois

2017-01-01

Frustrated magnets provide a promising avenue for realizing exotic quantum states of matter, such as spin liquids and spin ice or complex spin molecules. Under an external magnetic field, frustrated magnets can exhibit fractional magnetization plateaus related to definite spin patterns stabilized by field-induced lattice distortions. Magnetization and ultrasound experiments in MnCr2S4 up to 60 T reveal two fascinating features: (i) an extremely robust magnetization plateau with an unusual spin structure and (ii) two intermediate phases, indicating possible realizations of supersolid phases. The magnetization plateau characterizes fully polarized chromium moments, without any contributions from manganese spins. At 40 T, the middle of the plateau, a regime evolves, where sound waves propagate almost without dissipation. The external magnetic field exactly compensates the Cr–Mn exchange field and decouples Mn and Cr sublattices. In analogy to predictions of quantum lattice-gas models, the changes of the spin order of the manganese ions at the phase boundaries of the magnetization plateau are interpreted as transitions to supersolid phases. PMID:28345038

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

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

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulationsmore » as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water. Published by AIP Publishing.« less

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice [How good is the MB-pol many-body potential for water?

DOE PAGES

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp; ...

2016-11-17

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. Here, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. We investigate several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure through classical molecular dynamics simulations as amore » function of temperature. Furthermore, the structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water.« less

On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice [How good is the MB-pol many-body potential for water?

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

Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp

The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. Here, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. We investigate several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure through classical molecular dynamics simulations as amore » function of temperature. Furthermore, the structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly including nuclear quantum effects in the simulations, especially at low temperature, for a physically correct description of the properties of liquid water. Furthermore, both densities and lattice energies of several ice phases are also correctly reproduced by MB-pol. Following a recent study of DFT models for water, a score is assigned to each computed property, which demonstrates the high and, in many respects, unprecedented accuracy of MB-pol in representing all three phases of water.« less

Enhanced emission of quantum dots embedded within the high-index dielectric regions of photonic crystal slabs

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

See, Gloria G.; Naughton, Matt S.; Kenis, Paul J. A.

2016-04-25

We demonstrate a method for combining sputtered TiO{sub 2} deposition with liquid phase dip-coating of a quantum dot (QD) layer that enables precise depth placement of QD emitters within a high-index dielectric film, using a photonic crystal (PC) slab resonator to demonstrate enhanced emission from the QDs when they are located at a specific depth within the film. The depth of the QDs within the PC is found to modulate the resonant wavelength of the PC as well as the emission enhancement efficiency, as the semiconducting material embedded within the dielectric changes its spatial overlap with the resonant mode.

Quantum spin circulator in Y junctions of Heisenberg chains

NASA Astrophysics Data System (ADS)

Buccheri, Francesco; Egger, Reinhold; Pereira, Rodrigo G.; Ramos, Flávia B.

2018-06-01

We show that a quantum spin circulator, a nonreciprocal device that routes spin currents without any charge transport, can be achieved in Y junctions of identical spin-1 /2 Heisenberg chains coupled by a chiral three-spin interaction. Using bosonization, boundary conformal field theory, and density matrix renormalization group simulations, we find that a chiral fixed point with maximally asymmetric spin conductance arises at a critical point separating a regime of disconnected chains from a spin-only version of the three-channel Kondo effect. We argue that networks of spin-chain Y junctions provide a controllable approach to construct long-sought chiral spin-liquid phases.

Quantum critical scaling near the antiferromagnetic quantum critical point in CeCu6-xPdx

NASA Astrophysics Data System (ADS)

Wu, Liusuo; Poudel, L.; May, A. F.; Nelson, W. L.; Gallagher, A.; Lai, Y.; Graf, D. E.; Besara, T.; Siegrist, T. M.; Baumbach, R.; Ehlers, G.; Podlesnyak, A. A.; Lumsden, M. D.; Mandrus, D.; Christianson, A. D.

A remarkable behavior of many quantum critical systems is the scaling of physical properties such as the dynamic susceptibility near a quantum critical point (QCP), where Fermi liquid physics usually break down. The quantum critical behavior in the vicinity of a QCP in metallic systems remains an important open question. In particular, a self-consistent universal scaling of both magnetic susceptibility and the specific heat remains missing for most cases. Recently, we have studied CeCu6-xTx (T =Au, Ag, Pd), which is a prototypical heavy fermion material that hosts an antiferromagnetic (AF) QCP. We have investigated the low temperature thermal properties including the specific heat and magnetic susceptibility. We also investigated the spin fluctuation spectrum at both critical doping and within the magnetically ordered phase. A key finding is the spin excitations exhibit a strong Ising character, resulting in the strong suppression of transverse fluctuations. A detailed scaling analysis of the quantum critical behaviors relating the thermodynamic properties to the dynamic susceptibility will be presented. DOE, ORNL LDRD.

Raman Scattering Study of Supercritical Bi-Component Mixtures Injected into a Subcritical Environment

DTIC Science & Technology

2007-09-01

Technology (NIST) [7]. SUPERTRAPP is an interactive computer database designed to predict the thermodynamic and transport properties of fluid mixtures...of liquid sprays. However, the potential core computation is done for all the Raman scattering injection conditions to compare the condensed phase...spaced from the Rayleigh component suggesting that they contain the same information about the vibrational quantum energy. The intensity

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

Chen, Jing-Yuan, E-mail: chjy@uchicago.edu; Stanford Institute for Theoretical Physics, Stanford University, CA 94305; Son, Dam Thanh, E-mail: dtson@uchicago.edu

We develop an extension of the Landau Fermi liquid theory to systems of interacting fermions with non-trivial Berry curvature. We propose a kinetic equation and a constitutive relation for the electromagnetic current that together encode the linear response of such systems to external electromagnetic perturbations, to leading and next-to-leading orders in the expansion over the frequency and wave number of the perturbations. We analyze the Feynman diagrams in a large class of interacting quantum field theories and show that, after summing up all orders in perturbation theory, the current–current correlator exactly matches with the result obtained from the kinetic theory.more » - Highlights: • We extend Landau’s kinetic theory of Fermi liquid to incorporate Berry phase. • Berry phase effects in Fermi liquid take exactly the same form as in Fermi gas. • There is a new “emergent electric dipole” contribution to the anomalous Hall effect. • Our kinetic theory is matched to field theory to all orders in Feynman diagrams.« less

Observation of spinon spin currents in one-dimensional spin liquid

NASA Astrophysics Data System (ADS)

Hirobe, Daichi; Sato, Masahiro; Kawamata, Takayuki; Shiomi, Yuki; Uchida, Ken-Ichi; Iguchi, Ryo; Koike, Yoji; Maekawa, Sadamichi; Saitoh, Eiji

To date, two types of spin current have been explored experimentally: conduction-electron spin current and spin-wave spin current. Here, we newly present spinon spin current in quantum spin liquid. An archetype of quantum spin liquid is realized in one-dimensional spin-1/2 chains with the spins coupled via antiferromagnetic interaction. Elementary excitation in such a system is known as a spinon. Theories have predicted that the correlation of spinons reaches over a long distance. This suggests that spin current may propagate via one-dimensional spinons even in spin liquid states. In this talk, we report the experimental observation that a spin liquid in a spin-1/2 quantum chain generates and conveys spin current, which is attributed to spinon spin current. This is demonstrated by observing an anisotropic negative spin Seebeck effect along the spin chains in Sr2CuO3. The results show that spin current can flow via quantum fluctuation in spite of the absence of magnetic order, suggesting that a variety of quantum spin systems can be applied to spintronics. Spin Quantum Rectification Project, ERATO, JST, Japan; PRESTO, JST, Japan.

Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

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

Maerzke, K A; McGrath, M J; Kuo, I W

2009-03-16

Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature thatmore » are significantly under- and over-estimated, respectively.« less

George E. Valley, Jr. Prize Talk: Quantum Frustrated Magnetism and its Expression in the Ground State Selection of Pyrochlore Magnets

NASA Astrophysics Data System (ADS)

Ross, Kate

In the search for novel quantum states of matter, such as highly entangled Quantum Spin Liquids, ``geometrically frustrated'' magnetic lattices are essential for suppressing conventional magnetic order. In three dimensions, the pyrochlore lattice is the canonical frustrated geometry. Magnetic materials with pyrochlore structures have the potential to realize unusual phases such as ``quantum spin ice'', which is predicted to host emergent magnetic monopoles, electrons, and photons as its fundamental excitations. Even in pyrochlores that form long range ordered phases, this often occurs through unusual routes such as ``order by disorder'', in which the fluctuation spectrum dictates the preferred ordered state. The rare earth-based pyrochlore series R2Ti2O7 provides a fascinating variety of magnetic ground states. I will introduce the general anisotropic interaction Hamiltonian that has been successfully used to describe several materials in this series. Using inelastic neutron scattering, the relevant anisotropic interaction strengths can be extracted quantitatively. I will discuss this approach, and its application to two rare earth pyrochlore materials, Er2Ti2O7 and Yb2Ti<2O7, whose ground state properties have long been enigmatic. From these studies, ErTi2O7 and Yb2Ti2O7 have been suggested to be realizations of "quantum order by disorder" and "quantum spin ice", respectively. This research was supported by NSERC of Canada and the National Science Foundation.

Quantum fluctuations in the BCS-BEC crossover of two-dimensional Fermi gases

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

He, Lianyi; Lu, Haifeng; Cao, Gaoqing

2015-08-14

We present a theoretical study of the ground state of the BCS-BEC crossover in dilute two-dimensional Fermi gases. While the mean-field theory provides a simple and analytical equation of state, the pressure is equal to that of a noninteracting Fermi gas in the entire BCS-BEC crossover, which is not consistent with the features of a weakly interacting Bose condensate in the BEC limit and a weakly interacting Fermi liquid in the BCS limit. The inadequacy of the two-dimensional mean-field theory indicates that the quantum fluctuations are much more pronounced than those in three dimensions. In this work, we show thatmore » the inclusion of the Gaussian quantum fluctuations naturally recovers the above features in both the BEC and the BCS limits. In the BEC limit, the missing logarithmic dependence on the boson chemical potential is recovered by the quantum fluctuations. Near the quantum phase transition from the vacuum to the BEC phase, we compare our equation of state with the known grand canonical equation of state of two-dimensional Bose gases and determine the ratio of the composite boson scattering length a B to the fermion scattering length a 2D. We find a B ≃ 0.56a 2D, in good agreement with the exact four-body calculation. As a result, we compare our equation of state in the BCS-BEC crossover with recent results from the quantum Monte Carlo simulations and the experimental measurements and find good agreements.« less

Excitations in the field-induced quantum spin liquid state of α-RuCl3

NASA Astrophysics Data System (ADS)

Banerjee, Arnab; Lampen-Kelley, Paula; Knolle, Johannes; Balz, Christian; Aczel, Adam Anthony; Winn, Barry; Liu, Yaohua; Pajerowski, Daniel; Yan, Jiaqiang; Bridges, Craig A.; Savici, Andrei T.; Chakoumakos, Bryan C.; Lumsden, Mark D.; Tennant, David Alan; Moessner, Roderich; Mandrus, David G.; Nagler, Stephen E.

2018-03-01

The celebrated Kitaev quantum spin liquid (QSL) is the paradigmatic example of a topological magnet with emergent excitations in the form of Majorana Fermions and gauge fluxes. Upon breaking of time-reversal symmetry, for example in an external magnetic field, these fractionalized quasiparticles acquire non-Abelian exchange statistics, an important ingredient for topologically protected quantum computing. Consequently, there has been enormous interest in exploring possible material realizations of Kitaev physics and several candidate materials have been put forward, recently including α-RuCl3. In the absence of a magnetic field this material orders at a finite temperature and exhibits low-energy spin wave excitations. However, at moderate energies, the spectrum is unconventional and the response shows evidence for fractional excitations. Here we use time-of-flight inelastic neutron scattering to show that the application of a sufficiently large magnetic field in the honeycomb plane suppresses the magnetic order and the spin waves, leaving a gapped continuum spectrum of magnetic excitations. Our comparisons of the scattering to the available calculations for a Kitaev QSL show that they are consistent with the magnetic field induced QSL phase.

Excitations in the field-induced quantum spin liquid state of α-RuCl 3

DOE PAGES

Banerjee, Arnab; Kelley, Paula J.; Knolle, Johannes; ...

2018-02-20

The celebrated Kitaev quantum spin liquid (QSL) is the paradigmatic example of a topological magnet with emergent excitations in the form of Majorana Fermions and gauge fluxes. Upon breaking of time-reversal symmetry, for example in an external magnetic field, these fractionalized quasiparticles acquire non-Abelian exchange statistics, an important ingredient for topologically protected quantum computing. Consequently, there has been enormous interest in exploring possible material realizations of Kitaev physics and several candidate materials have been put forward, recently including α-RuCl 3. In the absence of a magnetic field this material orders at a finite temperature and exhibits low-energy spin wave excitations.more » However, at moderate energies, the spectrum is unconventional and the response shows evidence for fractional excitations. Here in this paper, we use time-of-flight inelastic neutron scattering to show that the application of a sufficiently large magnetic field in the honeycomb plane suppresses the magnetic order and the spin waves, leaving a gapped continuum spectrum of magnetic excitations. Our comparisons of the scattering to the available calculations for a Kitaev QSL show that they are consistent with the magnetic field induced QSL phase.« less

Excitations in the field-induced quantum spin liquid state of α-RuCl 3

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

Banerjee, Arnab; Kelley, Paula J.; Knolle, Johannes

The celebrated Kitaev quantum spin liquid (QSL) is the paradigmatic example of a topological magnet with emergent excitations in the form of Majorana Fermions and gauge fluxes. Upon breaking of time-reversal symmetry, for example in an external magnetic field, these fractionalized quasiparticles acquire non-Abelian exchange statistics, an important ingredient for topologically protected quantum computing. Consequently, there has been enormous interest in exploring possible material realizations of Kitaev physics and several candidate materials have been put forward, recently including α-RuCl 3. In the absence of a magnetic field this material orders at a finite temperature and exhibits low-energy spin wave excitations.more » However, at moderate energies, the spectrum is unconventional and the response shows evidence for fractional excitations. Here in this paper, we use time-of-flight inelastic neutron scattering to show that the application of a sufficiently large magnetic field in the honeycomb plane suppresses the magnetic order and the spin waves, leaving a gapped continuum spectrum of magnetic excitations. Our comparisons of the scattering to the available calculations for a Kitaev QSL show that they are consistent with the magnetic field induced QSL phase.« less

Quantum Spin Liquids in Frustrated Spin-1 Diamond Antiferromagnets

NASA Astrophysics Data System (ADS)

Buessen, Finn Lasse; Hering, Max; Reuther, Johannes; Trebst, Simon

2018-01-01

Motivated by the recent synthesis of the spin-1 A -site spinel NiRh2 O4 , we investigate the classical to quantum crossover of a frustrated J1-J2 Heisenberg model on the diamond lattice upon varying the spin length S . Applying a recently developed pseudospin functional renormalization group approach for arbitrary spin-S magnets, we find that systems with S ≥3 /2 reside in the classical regime, where the low-temperature physics is dominated by the formation of coplanar spirals and a thermal (order-by-disorder) transition. For smaller local moments S =1 or S =1 /2 , we find that the system evades a thermal ordering transition and forms a quantum spiral spin liquid where the fluctuations are restricted to characteristic momentum-space surfaces. For the tetragonal phase of NiRh2 O4 , a modified J1-J2--J2⊥ exchange model is found to favor a conventionally ordered Néel state (for arbitrary spin S ), even in the presence of a strong local single-ion spin anisotropy, and it requires additional sources of frustration to explain the experimentally observed absence of a thermal ordering transition.

Quantum phases of quadrupolar Fermi gases in coupled one-dimensional systems

NASA Astrophysics Data System (ADS)

Huang, Wen-Min; Lahrz, M.; Mathey, L.

2014-01-01

Following the recent proposal to create quadrupolar gases [Bhongale et al., Phys. Rev. Lett. 110, 155301 (2013), 10.1103/PhysRevLett.110.155301], we investigate what quantum phases can be created in these systems in one dimension. We consider a geometry of two coupled one-dimensional (1D) systems, and derive the quantum phase diagram of ultracold fermionic atoms interacting via quadrupole-quadrupole interactions within a Tomonaga-Luttinger-liquid framework. We map out the phase diagram as a function of the distance between the two tubes and the angle between the direction of the tubes and the quadrupolar moments. The latter can be controlled by an external field. We show that there are two magic angles θB,1c and θB,2c between 0 and π /2, where the intratube quadrupolar interactions vanish and change signs. Adopting a pseudospin language with regard to the two 1D systems, the system undergoes a spin-gap transition and displays a zigzag density pattern, above θB,2c and below θB,1c. Between the two magic angles, we show that polarized triplet superfluidity and a planar spin-density-wave order compete with each other. The latter corresponds to a bond-order solid in higher dimensions. We demonstrate that this order can be further stabilized by applying a commensurate periodic potential along the tubes.

Quantum Photonic in Hybrid Cavity Systems with Strong Matter-Light Couplings

DTIC Science & Technology

2015-08-24

applications of property-designed quantum liquids. Specifically the following was achieved: 1. Strong-coupling between quantum-well excitons and cavity...designed quantum liquids. Specifically the following was achieved: 1. Strong-coupling between quantum-well excitons and cavity photons was demonstrated...J., Brodbeck, S., Zhang, B., Wang, Z., Worschech, L., Deng, H., Kamp, M., Schneider, C. & Höfling, S. “Magneto- exciton -polariton condensation in a

Renormalization group analysis of dipolar Heisenberg model on square lattice

NASA Astrophysics Data System (ADS)

Keleş, Ahmet; Zhao, Erhai

2018-06-01

We present a detailed functional renormalization group analysis of spin-1/2 dipolar Heisenberg model on square lattice. This model is similar to the well-known J1-J2 model and describes the pseudospin degrees of freedom of polar molecules confined in deep optical lattice with long-range anisotropic dipole-dipole interactions. Previous study of this model based on tensor network ansatz indicates a paramagnetic ground state for certain dipole tilting angles which can be tuned in experiments to control the exchange couplings. The tensor ansatz formulated on a small cluster unit cell is inadequate to describe the spiral order, and therefore the phase diagram at high azimuthal tilting angles remains undetermined. Here, we obtain the full phase diagram of the model from numerical pseudofermion functional renormalization group calculations. We show that an extended quantum paramagnetic phase is realized between the Néel and stripe/spiral phases. In this region, the spin susceptibility flows smoothly down to the lowest numerical renormalization group scales with no sign of divergence or breakdown of the flow, in sharp contrast to the flow towards the long-range-ordered phases. Our results provide further evidence that the dipolar Heisenberg model is a fertile ground for quantum spin liquids.

Local Response of Topological Order to an External Perturbation

NASA Astrophysics Data System (ADS)

Hamma, Alioscia; Cincio, Lukasz; Santra, Siddhartha; Zanardi, Paolo; Amico, Luigi

2013-05-01

We study the behavior of the Rényi entropies for the toric code subject to a variety of different perturbations, by means of 2D density matrix renormalization group and analytical methods. We find that Rényi entropies of different index α display derivatives with opposite sign, as opposed to typical symmetry breaking states, and can be detected on a very small subsystem regardless of the correlation length. This phenomenon is due to the presence in the phase of a point with flat entanglement spectrum, zero correlation length, and area law for the entanglement entropy. We argue that this kind of splitting is common to all the phases with a certain group theoretic structure, including quantum double models, cluster states, and other quantum spin liquids. The fact that the size of the subsystem does not need to scale with the correlation length makes it possible for this effect to be accessed experimentally.

Ab Initio Investigations of High-Pressure Melting of Dense Lithium

NASA Astrophysics Data System (ADS)

Clay, Raymond; Morales, Miguel; Bonev, Stanimir

Lithium at ambient conditions is the simplest alkali metal and exhibits textbook nearly-free electron behavior. As the density is increased, however, significant core/valence overlap leads to surprisingly complex chemistry. We have systematically investigated the phase diagram of lithium at pressures ranging between two and six million atmospheres. Through a combination of density functional theory based path-integral and classical molecular dynamics simulations, we have investigated the impact of both nuclear quantum effects and anharmonicity on the melting line and solid phase boundaries. We also investigate how the inclusion of nuclear quantum effects and approximations in the treatment of electronic exchange-correlation impact the robustness of previous predictions of tetrahedral clustering in dense liquid Li. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Electron-Hole Condensation in Semiconductors: Electrons and holes condense into freely moving liquid metallic droplets, a plasma phase with novel properties.

PubMed

Jeffries, C D

1975-09-19

In Ge and Si, and also in Ge-Si alloys (74), there is extensive evidence for the stable binding of electrons and holes into a cold plasma of constant density, which undergoes a phase separation. Liquid metallic drops 1 to 300 microm in size are formed, with lifetimes ranging from 0.1 to 600 microsec. For Ge a surprising amount is known: the phase diagram, the surface energy, the work function, the decay kinetics. Much less is known for Si. There is good agreement between theoretical and experimental values of the liquid density, the critical density, the critical temperature, and the binding energy. The stability of the liquid phase is strikingly dependent on band structure. The multivalley structure and mass anisotropy of Si, Ge, and Ge-Si, together with their indirect band gap, are no doubt responsible for the observed stability in these crystals. In the similar semiconductor gallium phosphide, drops have not yet been observed, most likely because the high impurity content traps the excitons. In gallium arsenide the existence of drops is controversial (75). Undoubtedly drops will be found to exist in other semiconductors, perhaps at even higher temperatures. This is an exciting field for the experimentalist; new phenomena are being rapidly discovered, usually before they are predicted. For the theorist, the electron-hole drop is of high intrinsic interest. It represents the first example of a quantum liquid of constant density in a periodic crystal lattice. A number of challenging experimental and theoretical problems remain.

Energetics and structure of simvastatin.

PubMed

Simões, Ricardo G; Bernardes, Carlos E S; Diogo, Hermínio P; Agapito, Filipe; Minas da Piedade, Manuel E

2013-07-01

The study of structure-energetics relationships for active pharmaceutical ingredients has received considerable attention in recent years, due to its importance for the effective production and safe use of drugs. In this work the widely prescribed cholesterol-lowering drug simvastatin was investigated by combining experimental (combustion calorimetry and differential scanning calorimetry, DSC) and computational chemistry (quantum chemistry and molecular dynamics calculations) results. The studies addressed the crystalline form stable at ambient temperature (form I) and the liquid and gaseous phases. Heat capacity determinations by DSC showed no evidence of polymorphism between 293 K and the fusion temperature. It was also found that the most stable molecular conformation in the gas phase given by the quantum chemistry calculations (B3LYP-D3/cc-pVTZ) is analogous to that observed in the crystal phase. The molecular dynamics simulations correctly captured the main structural properties of the crystalline phase known from published single crystal X-ray diffraction results (unit cell dimensions and volume). They also suggested that, while preferential conformations are exhibited by the molecule in the solid at 298.15 K, these preferences are essentially blurred upon melting. Finally, the experiments and calculations led to enthalpies of formation of simvastatin at 298.15 K, in the crystalline (form I) ΔfH(m)(o) (cr I) = -1238.4 ± 5.6 kJ · mol(-1), liquid ΔfH(m)(o) (l) = -1226.4 ± 5.7 kJ · mol(-1), and gaseous ΔfH(m)(o) (g) = -1063.0 ± 7.1 kJ · mol(-1) states.

Ripplon laser through stimulated emission mediated by water waves

NASA Astrophysics Data System (ADS)

Kaminski, Samuel; Martin, Leopoldo L.; Maayani, Shai; Carmon, Tal

2016-12-01

Lasers rely on stimulated electronic transition, a quantum phenomenon in the form of population inversion. In contrast, phonon masers depend on stimulated Raman scattering and are entirely classical. Here we extend Raman lasers to rely on capillary waves, which are unique to the liquid phase of matter and relate to the attraction between intimate fluid particles. We fabricate resonators that co-host capillary and optical modes, control them to operate at their non-resolved sideband and observe stimulated capillary scattering and the coherent excitation of capillary resonances at kilohertz rates (which can be heard in audio files recorded by us). By exchanging energy between electromagnetic and capillary waves, we bridge the interfacial tension phenomena at the liquid phase boundary to optics. This approach may impact optofluidics by allowing optical control, interrogation and cooling of water waves.

Light propagation and fluorescence quantum yields in liquid scintillators

NASA Astrophysics Data System (ADS)

Buck, C.; Gramlich, B.; Wagner, S.

2015-09-01

For the simulation of the scintillation and Cherenkov light propagation in large liquid scintillator detectors a detailed knowledge about the absorption and emission spectra of the scintillator molecules is mandatory. Furthermore reemission probabilities and quantum yields of the scintillator components influence the light propagation inside the liquid. Absorption and emission properties are presented for liquid scintillators using 2,5-Diphenyloxazole (PPO) and 4-bis-(2-Methylstyryl)benzene (bis-MSB) as primary and secondary wavelength shifter. New measurements of the quantum yields for various aromatic molecules are shown.

Enhanced amplified spontaneous emission in a quantum dot-doped polymer-dispersed liquid crystal

NASA Astrophysics Data System (ADS)

Cao, Mingxuan; Zhang, Yating; Song, Xiaoxian; Che, Yongli; Zhang, Haiting; Yan, Chao; Dai, Haitao; Liu, Guang; Zhang, Guizhong; Yao, Jianquan

2016-07-01

Quantum dot-doped polymer-dispersed liquid crystals (QD-PDLCs) were prepared by photoinitiated polymerization and sealed in capillary tubes. The concentration of QDs in the PDLC was 1 wt%. Amplified spontaneous emission (ASE) of the quantum dot-doped polymer-dispersed liquid crystals was observed with 532 nm wavelength laser excitation. The threshold for ASE was 6 mJ cm-2, which is much lower than that for homogeneous quantum dot-doped polymer (25 mJ cm-2). The threshold for ASE was dramatically enhanced when the working temperature exceeded the clearing point of the liquid crystal; this result demonstrates that multi-scattering caused by the liquid crystals effectively improved the path length or dwell time of light in the gain region, which played a key role in decreasing the threshold for ASE.

Undecidability of the spectral gap.

PubMed

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

2015-12-10

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

Gas-Phase Functionalization of Macroscopic Carbon Nanotube Fiber Assemblies: Reaction Control, Electrochemical Properties, and Use for Flexible Supercapacitors.

PubMed

Iglesias, Daniel; Senokos, Evgeny; Alemán, Belén; Cabana, Laura; Navío, Cristina; Marcilla, Rebeca; Prato, Maurizio; Vilatela, Juan J; Marchesan, Silvia

2018-02-14

The assembly of aligned carbon nanotubes (CNTs) into fibers (CNTFs) is a convenient approach to exploit and apply the unique physico-chemical properties of CNTs in many fields. CNT functionalization has been extensively used for its implementation into composites and devices. However, CNTF functionalization is still in its infancy because of the challenges associated with preservation of CNTF morphology. Here, we report a thorough study of the gas-phase functionalization of CNTF assemblies using ozone which was generated in situ from a UV source. In contrast with liquid-based oxidation methods, this gas-phase approach preserves CNTF morphology, while notably increasing its hydrophilicity. The functionalized material is thoroughly characterized by Raman spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and scanning electron microscopy. Its newly acquired hydrophilicity enables CNTF electrochemical characterization in aqueous media, which was not possible for the pristine material. Through comparison of electrochemical measurements in aqueous electrolytes and ionic liquids, we decouple the effects of functionalization on pseudocapacitive reactions and quantum capacitance. The functionalized CNTF assembly is successfully used as an active material and a current collector in all-solid supercapacitor flexible devices with an ionic liquid-based polymer electrolyte.

A two-dimensional algebraic quantum liquid produced by an atomic simulator of the quantum Lifshitz model

NASA Astrophysics Data System (ADS)

Po, Hoi Chun; Zhou, Qi

2015-08-01

Bosons have a natural instinct to condense at zero temperature. It is a long-standing challenge to create a high-dimensional quantum liquid that does not exhibit long-range order at the ground state, as either extreme experimental parameters or sophisticated designs of microscopic Hamiltonians are required for suppressing the condensation. Here we show that synthetic gauge fields for ultracold atoms, using either the Raman scheme or shaken lattices, provide physicists a simple and practical scheme to produce a two-dimensional algebraic quantum liquid at the ground state. This quantum liquid arises at a critical Lifshitz point, where a two-dimensional quartic dispersion emerges in the momentum space, and many fundamental properties of two-dimensional bosons are changed in its proximity. Such an ideal simulator of the quantum Lifshitz model allows experimentalists to directly visualize and explore the deconfinement transition of topological excitations, an intriguing phenomenon that is difficult to access in other systems.

Comparison of the Melting Temperatures of Classical and Quantum Water Potential Models

NASA Astrophysics Data System (ADS)

Du, Sen; Yoo, Soohaeng; Li, Jinjin

2017-08-01

As theoretical approaches and technical methods improve over time, the field of computer simulations for water has greatly progressed. Water potential models become much more complex when additional interactions and advanced theories are considered. Macroscopic properties of water predicted by computer simulations using water potential models are expected to be consistent with experimental outcomes. As such, discrepancies between computer simulations and experiments could be a criterion to comment on the performances of various water potential models. Notably, water can occur not only as liquid phases but also as solid and vapor phases. Therefore, the melting temperature related to the solid and liquid phase equilibrium is an effective parameter to judge the performances of different water potential models. As a mini review, our purpose is to introduce some water models developed in recent years and the melting temperatures obtained through simulations with such models. Moreover, some explanations referred to in the literature are described for the additional evaluation of the water potential models.

Optical study of xanthene-type dyes in nano-confined liquid

NASA Astrophysics Data System (ADS)

Mahdi Shavakandi, Seyyed; Alizadeh, Khalil; Sharifi, Soheil; Marti, Othmar; Amirkhani, Masoud

2017-04-01

The optical activity of dye molecules in different environments is of great interest for many applications such as laser system or biological imaging. We investigate the fluorescence and absorption spectrum of nano-confined xanthene dyes (RhB and fluorescein sodium salt) in a two-phase liquid. Each show very distinct optical behavior in the water phase of a reverse microemulsion. Their optical properties such as absorption and fluorescence for different concentrations of dye and nanodroplets are investigated. We show that for the same concentration of dye in the microemulsion the peak of fluorescence intensity is varied by altering the concentration of nanodroplets. However, the trend of the change is widely different depending on the hydrophobicity of dyes. Quantum-mechanical second order perturbation theory is used to calculate the ratio of dipole moments in the ground and excited states, which accounts for the Stokes shift in fluorescence peak. Photon correlation spectroscopy is employed to check the trace of the dye in the oil phase of the microemulsion.

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

Tsvelik, A. M.; Yevtushenko, O. M.

We study the low energy physics of a Kondo chain where electrons from a one-dimensional band interact with magnetic moments via an anisotropic exchange interaction. It is demonstrated that the anisotropy gives rise to two different phases which are separated by a quantum phase transition. In the phase with easy plane anisotropy, Z2 symmetry between sectors with different helicity of the electrons is broken. As a result, localization effects are suppressed and the dc transport acquires (partial) symmetry protection. This effect is similar to the protection of the edge transport in time-reversal invariant topological insulators. The phase with easy axismore » anisotropy corresponds to the Tomonaga-Luttinger liquid with a pronounced spin-charge separation. The slow charge density wave modes have no protection against localizatioin.« less

Non-Fermi-liquid and topological states with strong spin-orbit coupling.

PubMed

Moon, Eun-Gook; Xu, Cenke; Kim, Yong Baek; Balents, Leon

2013-11-15

We argue that a class of strongly spin-orbit-coupled materials, including some pyrochlore iridates and the inverted band gap semiconductor HgTe, may be described by a minimal model consisting of the Luttinger Hamiltonian supplemented by Coulomb interactions, a problem studied by Abrikosov and collaborators. It contains twofold degenerate conduction and valence bands touching quadratically at the zone center. Using modern renormalization group methods, we update and extend Abrikosov's classic work and show that interactions induce a quantum critical non-Fermi-liquid phase, stable provided time-reversal and cubic symmetries are maintained. We determine the universal power-law exponents describing various observables in this Luttinger-Abrikosov-Beneslavskii state, which include conductivity, specific heat, nonlinear susceptibility, and the magnetic Gruneisen number. Furthermore, we determine the phase diagram in the presence of cubic and/or time-reversal symmetry breaking perturbations, which includes a topological insulator and Weyl semimetal phases. Many of these phases possess an extraordinarily large anomalous Hall effect, with the Hall conductivity scaling sublinearly with magnetization σ(xy)∼M0.51.

Seebeck effect on a weak link between Fermi and non-Fermi liquids

NASA Astrophysics Data System (ADS)

Nguyen, T. K. T.; Kiselev, M. N.

2018-02-01

We propose a model describing Seebeck effect on a weak link between two quantum systems with fine-tunable ground states of Fermi and non-Fermi liquid origin. The experimental realization of the model can be achieved by utilizing the quantum devices operating in the integer quantum Hall regime [Z. Iftikhar et al., Nature (London) 526, 233 (2015), 10.1038/nature15384] designed for detection of macroscopic quantum charged states in multichannel Kondo systems. We present a theory of thermoelectric transport through hybrid quantum devices constructed from quantum-dot-quantum-point-contact building blocks. We discuss pronounced effects in the temperature and gate voltage dependence of thermoelectric power associated with a competition between Fermi and non-Fermi liquid behaviors. High controllability of the device allows to fine tune the system to different regimes described by multichannel and multi-impurity Kondo models.

Quantum State-Resolved Reactive and Inelastic Scattering at Gas-Liquid and Gas-Solid Interfaces

NASA Astrophysics Data System (ADS)

Grütter, Monika; Nelson, Daniel J.; Nesbitt, David J.

2012-06-01

Quantum state-resolved reactive and inelastic scattering at gas-liquid and gas-solid interfaces has become a research field of considerable interest in recent years. The collision and reaction dynamics of internally cold gas beams from liquid or solid surfaces is governed by two main processes, impulsive scattering (IS), where the incident particles scatter in a few-collisions environment from the surface, and trapping-desorption (TD), where full equilibration to the surface temperature (T{TD}≈ T{s}) occurs prior to the particles' return to the gas phase. Impulsive scattering events, on the other hand, result in significant rotational, and to a lesser extent vibrational, excitation of the scattered molecules, which can be well-described by a Boltzmann-distribution at a temperature (T{IS}>>T{s}). The quantum-state resolved detection used here allows the disentanglement of the rotational, vibrational, and translational degrees of freedom of the scattered molecules. The two examples discussed are (i) reactive scattering of monoatomic fluorine from room-temperature ionic liquids (RTILs) and (ii) inelastic scattering of benzene from a heated (˜500 K) gold surface. In the former experiment, rovibrational states of the nascent HF beam are detected using direct infrared absorption spectroscopy, and in the latter, a resonace-enhanced multi-photon-ionization (REMPI) scheme is employed in combination with a velocity-map imaging (VMI) device, which allows the detection of different vibrational states of benzene excited during the scattering process. M. E. Saecker, S. T. Govoni, D. V. Kowalski, M. E. King and G. M. Nathanson Science 252, 1421, 1991. A. M. Zolot, W. W. Harper, B. G. Perkins, P. J. Dagdigian and D. J. Nesbitt J. Chem. Phys 125, 021101, 2006. J. R. Roscioli and D. J. Nesbitt Faraday Disc. 150, 471, 2011.

NMR lineshape equations for hindered methyl group: a comparison of the semi-classical and quantum mechanical models

NASA Astrophysics Data System (ADS)

Bernatowicz, P.; Szymański, S.

2003-09-01

The semiclassical and quantum mechanical NMR lineshape equations for a hindered methyl group are compared. In both the approaches, the stochastic dynamics can be interpreted in terms of a progressive symmetrization of the spin density matrix. However, the respective ways of achieving the same limiting symmetry can be remarkably different. From numerical lineshape simulations it is inferred that in the regime of intermediate exchange, where the conventional theory predicts occurrence of a single Lorentzian, the actual spectrum can have nontrivial features. This observation may open new perspectives in the search for nonclassical effects in the stochastic behavior of methyl groups in liquid-phase NMR.

Nuclear Quantum Effects in Water at the Triple Point: Using Theory as a Link Between Experiments.

PubMed

Cheng, Bingqing; Behler, Jörg; Ceriotti, Michele

2016-06-16

One of the most prominent consequences of the quantum nature of light atomic nuclei is that their kinetic energy does not follow a Maxwell-Boltzmann distribution. Deep inelastic neutron scattering (DINS) experiments can measure this effect. Thus, the nuclear quantum kinetic energy can be probed directly in both ordered and disordered samples. However, the relation between the quantum kinetic energy and the atomic environment is a very indirect one, and cross-validation with theoretical modeling is therefore urgently needed. Here, we use state of the art path integral molecular dynamics techniques to compute the kinetic energy of hydrogen and oxygen nuclei in liquid, solid, and gas-phase water close to the triple point, comparing three different interatomic potentials and validating our results against equilibrium isotope fractionation measurements. We will then show how accurate simulations can draw a link between extremely precise fractionation experiments and DINS, therefore establishing a reliable benchmark for future measurements and providing key insights to increase further the accuracy of interatomic potentials for water.

Study of gold nanostar@SiO2@CdTeS quantum dots@SiO2 with enhanced-fluorescence and photothermal therapy multifunctional cell nanoprobe

NASA Astrophysics Data System (ADS)

Yin, Naiqiang; Jiang, Tongtong; Yu, Jing; He, Jiawei; Li, Xu; Huang, Qianpeng; Liu, Ling; Xu, Xiaoliang; Zhu, Lixin

2014-03-01

A novel class of cell probe structured as gold nanostar@SiO2@CdTeS quantum dots@SiO2 nanoprobes with multifunctional (MFNPs) fluorescent and photothermal properties were demonstrated. The MFNPs with good homogeneity (129 ± 10 nm) and dispersity were synthesized by a liquid phase method. The fluorescence signal of quantum dots was enhanced in the MFNPs, compared with the pure quantum dots. The vitro study showed that the MFNPs can realize the targeted labeling after functionalized with anti-body. Furthermore, the nanoprobe displays strong surface plasmonic resonance absorbance in the near-infrared region, thus exhibiting an NIR (808 nm)-induced temperature elevation. When cancer cells were cultured with the anti-body linked MFNPs and irradiated by laser, the MFNPs were demonstrated as good candidates for curing cancer cells. Therefore, such a multifunctional probe can be developed as a promising nanosystem that integrates multiple capabilities for effective cancer diagnosis and therapy.

Nuclear quantum fluctuations in ice I(h).

PubMed

Moreira, Pedro Augusto Franco Pinheiro; de Koning, Maurice

2015-10-14

We discuss the role of nuclear quantum fluctuations in ice Ih, focusing on the hydrogen-bond (HB) structure and the molecular dipole-moment distribution. For this purpose we carry out DFT-based first-principles molecular dynamics and path-integral molecular dynamics simulations at T = 100 K. We analyze the HB structure in terms of a set of parameters previously employed to characterize molecular structures in the liquid phase and compute the molecular dipole moments using the maximally-localized Wannier functions. The results show that the protons experience very large digressions driven by quantum fluctuations, accompanied by major rearrangements in the electronic density. As a result of these protonic quantum fluctuations the molecular dipole-moment distribution is substantially broadened as well as shifted to a larger mean value when compared to the results obtained when such fluctuations are neglected. In terms of dielectric constants, the reconciliation between the greater mean dipole moment and experimental indications that the dielectric constant of H2O ice is lower than that of D2O ice would indicate that the topology of the HB network is sensitive to protonic quantum fluctuations.

Superconductivity mediated by quantum critical antiferromagnetic fluctuations: the rise and fall of hot spots

NASA Astrophysics Data System (ADS)

Wang, Xiaoyu; Schattner, Yoni; Berg, Erez; Fernandes, Rafael

The maximum transition temperature Tc observed in the phase diagrams of several unconventional superconductors takes place in the vicinity of a putative antiferromagnetic quantum critical point. This observation motivated the theoretical proposal that superconductivity in these systems may be driven by quantum critical fluctuations, which in turn can also promote non-Fermi liquid behavior. In this talk, we present a combined analytical and sign-problem-free Quantum Monte Carlo investigation of the spin-fermion model - a widely studied low-energy model for the interplay between superconductivity and magnetic fluctuations. By engineering a series of band dispersions that interpolate between near-nested and open Fermi surfaces, and by also varying the strength of the spin-fermion interaction, we find that the hot spots of the Fermi surface provide the dominant contribution to the pairing instability in this model. We show that the analytical expressions for Tc and for the pairing susceptibility, obtained within a large-N Eliashberg approximation to the spin-fermion model, agree well with the Quantum Monte Carlo data, even in the regime of interactions comparable to the electronic bandwidth. DE-SC0012336.

Influence of the hydrogen bond quantum nature in liquid water and heavy water on stimulated Raman scattering

NASA Astrophysics Data System (ADS)

Li, Fabing; Li, Zhanlong; Li, Shuo; Fang, Wenhui; Sun, Chenglin; Men, Zhiwei

2018-06-01

Stimulated Raman scattering (SRS) of liquid water and heavy water have been investigated using Nd:YAG laser. The SRS spectra of liquid heavy water indicate that ice-VII and ice-VIII structures are formed by shock-induced compression (SIC) in forward and backward directions, respectively. Simultaneously, the SRS spectra reveal of liquid water that only ice-VII structure is formed in the backward direction. The difference in ice structures formed by SIC in liquid water and heavy water could be attributed to the effect of the hydrogen bond quantum nature with H+. SRS spectra of 2 M NaOH water solution with ice-VII and ice-VIII structures have been successfully obtained in forward and backward, respectively, as OH- greatly reduce the quantum nature of hydrogen bonds by neutralizing H+ in water. The hydrogen bond quantum nature is important for understanding isotope calibration test structure and isotopic effect.

Symmetry-protected gapless Z2 spin liquids

NASA Astrophysics Data System (ADS)

Lu, Yuan-Ming

2018-03-01

Despite rapid progress in understanding gapped topological states, much less is known about gapless topological phases of matter, especially in strongly correlated electrons. In this work, we discuss a large class of robust gapless quantum spin liquids in frustrated magnets made of half-integer spins, which are described by gapless fermionic spinons coupled to dynamical Z2 gauge fields. Requiring U(1 ) spin conservation, time-reversal, and certain space-group symmetries, we show that certain spinon symmetry fractionalization class necessarily leads to a gapless spectrum. These gapless excitations are stable against any perturbations, as long as the required symmetries are preserved. Applying these gapless criteria to spin-1/2 systems on square, triangular, and kagome lattices, we show that all gapped symmetric Z2 spin liquids in Abrikosov-fermion representation can also be realized in Schwinger-boson representation. This leads to 64 gapped Z2 spin liquids on square lattice, and 8 gapped states on both kagome and triangular lattices.

Viscous Dissipation in One-Dimensional Quantum Liquids

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

Matveev, K. A.; Pustilnik, M.

We develop a theory of viscous dissipation in one-dimensional single-component quantum liquids at low temperatures. Such liquids are characterized by a single viscosity coefficient, the bulk viscosity. We show that for a generic interaction between the constituent particles this viscosity diverges in the zerotemperature limit. In the special case of integrable models, the viscosity is infinite at any temperature, which can be interpreted as a breakdown of the hydrodynamic description. In conclusion, our consideration is applicable to all single-component Galilean- invariant one-dimensional quantum liquids, regardless of the statistics of the constituent particles and the interaction strength.

Viscous Dissipation in One-Dimensional Quantum Liquids

DOE PAGES

Matveev, K. A.; Pustilnik, M.

2017-07-20

We develop a theory of viscous dissipation in one-dimensional single-component quantum liquids at low temperatures. Such liquids are characterized by a single viscosity coefficient, the bulk viscosity. We show that for a generic interaction between the constituent particles this viscosity diverges in the zerotemperature limit. In the special case of integrable models, the viscosity is infinite at any temperature, which can be interpreted as a breakdown of the hydrodynamic description. In conclusion, our consideration is applicable to all single-component Galilean- invariant one-dimensional quantum liquids, regardless of the statistics of the constituent particles and the interaction strength.

Quantum liquids get thin

NASA Astrophysics Data System (ADS)

Ferrier-Barbut, Igor; Pfau, Tilman

2018-01-01

A liquid exists when interactions that attract its constituent particles to each other are counterbalanced by a repulsion acting at higher densities. Other characteristics of liquids are short-range correlations and the existence of surface tension (1). Ultracold atom experiments provide a privileged platform with which to observe exotic states of matter, but the densities are far too low to obtain a conventional liquid because the atoms are too far apart to create repulsive forces arising from the Pauli exclusion principle of the atoms' internal electrons. The observation of quantum liquid droplets in an ultracold mixture of two quantum fluids is now reported on page 301 of this issue by Cabrera et al. (2) and a recent preprint by Semeghini et al. (3). Unlike conventional liquids, these liquids arise from a weak attraction and repulsive many-body correlations in the mixtures.

Edge physics of the quantum spin Hall insulator from a quantum dot excited by optical absorption.

PubMed

Vasseur, Romain; Moore, Joel E

2014-04-11

The gapless edge modes of the quantum spin Hall insulator form a helical liquid in which the direction of motion along the edge is determined by the spin orientation of the electrons. In order to probe the Luttinger liquid physics of these edge states and their interaction with a magnetic (Kondo) impurity, we consider a setup where the helical liquid is tunnel coupled to a semiconductor quantum dot that is excited by optical absorption, thereby inducing an effective quantum quench of the tunneling. At low energy, the absorption spectrum is dominated by a power-law singularity. The corresponding exponent is directly related to the interaction strength (Luttinger parameter) and can be computed exactly using boundary conformal field theory thanks to the unique nature of the quantum spin Hall edge.

Efficient free energy calculations of quantum systems through computer simulations

NASA Astrophysics Data System (ADS)

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

2009-03-01

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

Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon

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

Desgranges, Caroline; Delhommelle, Jerome

We extend Expanded Wang-Landau (EWL) simulations beyond classical systems and develop the EWL method for systems modeled with a tight-binding Hamiltonian. We then apply the method to determine the partition function and thus all thermodynamic properties, including the Gibbs free energy and entropy, of the fluid phases of Si. We compare the results from quantum many-body (QMB) tight binding models, which explicitly calculate the overlap between the atomic orbitals of neighboring atoms, to those obtained with classical many-body (CMB) force fields, which allow to recover the tetrahedral organization in condensed phases of Si through, e.g., a repulsive 3-body term thatmore » favors the ideal tetrahedral angle. Along the vapor-liquid coexistence, between 3000 K and 6000 K, the densities for the two coexisting phases are found to vary significantly (by 5 orders of magnitude for the vapor and by up to 25% for the liquid) and to provide a stringent test of the models. Transitions from vapor to liquid are predicted to occur for chemical potentials that are 10%–15% higher for CMB models than for QMB models, and a ranking of the force fields is provided by comparing the predictions for the vapor pressure to the experimental data. QMB models also reveal the formation of a gap in the electronic density of states of the coexisting liquid at high temperatures. Subjecting Si to a nanoscopic confinement has a dramatic effect on the phase diagram with, e.g. at 6000 K, a decrease in liquid densities by about 50% for both CMB and QMB models and an increase in vapor densities between 90% (CMB) and 170% (QMB). The results presented here provide a full picture of the impact of the strategy (CMB or QMB) chosen to model many-body effects on the thermodynamic properties of the fluid phases of Si.« less

Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate

PubMed Central

2015-01-01

Phosphate groups are commonly observed in biomolecules such as nucleic acids and lipids. Due to their highly charged and polarizable nature, modeling these compounds with classical force fields is challenging. Using quantum mechanical studies and liquid-phase simulations, the AMOEBA force field for dimethyl phosphate (DMP) ion and trimethyl phosphate (TMP) has been developed. On the basis of ab initio calculations, it was found that ion binding and the solution environment significantly impact both the molecular geometry and the energy differences between conformations. Atomic multipole moments are derived from MP2/cc-pVQZ calculations of methyl phosphates at several conformations with their chemical environments taken into account. Many-body polarization is handled via a Thole-style induction model using distributed atomic polarizabilities. van der Waals parameters of phosphate and oxygen atoms are determined by fitting to the quantum mechanical interaction energy curves for water with DMP or TMP. Additional stretch-torsion and angle-torsion coupling terms were introduced in order to capture asymmetry in P–O bond lengths and angles due to the generalized anomeric effect. The resulting force field for DMP and TMP is able to accurately describe both the molecular structure and conformational energy surface, including bond and angle variations with conformation, as well as interaction of both species with water and metal ions. The force field was further validated for TMP in the condensed phase by computing hydration free energy, liquid density, and heat of vaporization. The polarization behavior between liquid TMP and TMP in water is drastically different. PMID:26574325

Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih

NASA Astrophysics Data System (ADS)

Shi, L.; Skinner, J. L.

2015-07-01

OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in these phases. In this work, we extend the combined electronic-structure/molecular-dynamics (ES/MD) method, originally developed by Skinner and co-workers to simulate OH-stretch IR and Raman spectra, to the calculation of IINS spectra with small k values. The agreement between theory and experiment in the limit k → 0 is reasonable, further validating the reliability of the ES/MD method in simulating OH-stretch spectroscopy in condensed phases. The connections and differences between IINS and IR spectra are analyzed to illustrate the advantages of IINS over IR in estimating the OH-stretch VDOS.

Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih

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

Shi, L.; Skinner, J. L.

2015-07-07

OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in these phases. In this work, we extend the combined electronic-structure/molecular-dynamics (ES/MD) method, originally developed by Skinner and co-workers to simulate OH-stretch IR and Raman spectra, to the calculation of IINS spectra with small k values. The agreement between theory and experiment in the limit k → 0 is reasonable, further validating the reliability of the ES/MD method in simulatingmore » OH-stretch spectroscopy in condensed phases. The connections and differences between IINS and IR spectra are analyzed to illustrate the advantages of IINS over IR in estimating the OH-stretch VDOS.« less

The modeling and synthesis of nanodiamonds by laser ablation of graphite and diamond-like carbon in liquid-confined ambient

NASA Astrophysics Data System (ADS)

Basso, L.; Gorrini, F.; Bazzanella, N.; Cazzanelli, M.; Dorigoni, C.; Bifone, A.; Miotello, A.

2018-01-01

Nanodiamonds have attracted considerable interest for their potential applications in quantum computation, sensing, and bioimaging. However, synthesis of nanodiamonds typically requires high pressures and temperatures, and is still a challenge. Here, we demonstrate production of nanodiamonds by pulsed laser ablation of graphite and diamond-like carbon in water. Importantly, this technique enables production of nanocrystalline diamonds at room temperature and standard pressure conditions. Moreover, we propose a method for the purification of nanodiamonds from graphitic and amorphous carbon phases that do not require strong acids and harsh chemical conditions. Finally, we present a thermodynamic model that describes the formation of nanodiamonds during pulsed laser ablation. We show that synthesis of the crystalline phase is driven by a graphite-liquid-diamond transition process that occurs at the extreme thermodynamic conditions reached inside the ablation plume.

[Properties of synthesized CdS nanoparticles by reverse micelle method].

PubMed

Li, Heng-Da; Wang, Qing-Wei; Zhai, Hong-Ju; Li, Wen-Lian

2008-07-01

Micelle system with reverse phase (water/CTAB/n-hexyl alcohol/n-heptane) is a weenie liquid-globelet of surface active agent molecule which can be stably and uniformly dispersed in continuous oil medium. The micelle system with reverse phase can work as a "micro-reactor" to synthesize CdS nano-particle with excellent performance. In the present article considering the effects of W value (W= [water]/[surface agent]) of the micelle system with reverse phase, we observed that the ratio of [Cd2+] and [S2-] ions to the original concentrations of the Cd2+ and S2- ions can affect the luminescent properties of CdS nano-particle. Using regurgitant treatment process the surface of CdS nano-particle can be modified, and as a result the defect emission was reduced and even disappeared, but exciton emissions markedly increased. On the other hand, a red-shift of the exciton emission peak with the increase in the particle size was observed, indicating considerable quantum confinement effect. A maximum quantum efficiency of 11% for the synthesized CdS nano-material was achieved.

Dimensional crossover and cold-atom realization of topological Mott insulators

PubMed Central

Scheurer, Mathias S.; Rachel, Stephan; Orth, Peter P.

2015-01-01

Interacting cold-atomic gases in optical lattices offer an experimental approach to outstanding problems of many body physics. One important example is the interplay of interaction and topology which promises to generate a variety of exotic phases such as the fractionalized Chern insulator or the topological Mott insulator. Both theoretically understanding these states of matter and finding suitable systems that host them have proven to be challenging problems. Here we propose a cold-atom setup where Hubbard on-site interactions give rise to spin liquid-like phases: weak and strong topological Mott insulators. They represent the celebrated paradigm of an interacting and topological quantum state with fractionalized spinon excitations that inherit the topology of the non-interacting system. Our proposal shall help to pave the way for a controlled experimental investigation of this exotic state of matter in optical lattices. Furthermore, it allows for the investigation of a dimensional crossover from a two-dimensional quantum spin Hall insulating phase to a three-dimensional strong topological insulator by tuning the hopping between the layers. PMID:25669431

Ground-state phase diagram in the Kugel-Khomskii model with finite spin-orbit interactions

NASA Astrophysics Data System (ADS)

Koga, Akihisa; Nakauchi, Shiryu; Nasu, Joji

2018-05-01

We study ground-state properties in the Kugel-Khomskii model on the two-dimensional honeycomb lattice. Using the cluster mean-field approximations, we deal with the exchange and spin-orbit couplings on an equal footing. We then discuss the stability of the ferromagnetically ordered states against the nonmagnetic state, which is adiabatically connected to the quantum spin liquid state realized in a strong spin-orbit coupling limit.

Evolution of quantum criticality in CeNi(9-x)Cu(x)Ge(4).

PubMed

Peyker, L; Gold, C; Scheidt, E-W; Scherer, W; Donath, J G; Gegenwart, P; Mayr, F; Unruh, T; Eyert, V; Bauer, E; Michor, H

2009-06-10

Crystal structure, specific heat, thermal expansion, magnetic susceptibility and electrical resistivity studies of the heavy fermion system CeNi(9-x)Cu(x)Ge(4) (0≤x≤1) reveal a continuous tuning of the ground state by Ni/Cu substitution from an effectively fourfold-degenerate non-magnetic Kondo ground state of CeNi(9)Ge(4) (with pronounced non-Fermi-liquid features) towards a magnetically ordered, effectively twofold-degenerate ground state in CeNi(8)CuGe(4) with T(N) = 175 ± 5 mK. Quantum critical behavior, [Formula: see text], is observed for [Formula: see text]. Hitherto, CeNi(9-x)Cu(x)Ge(4) represents the first system where a substitution-driven quantum phase transition is connected not only with changes of the relative strength of the Kondo effect and RKKY interaction, but also with a reduction of the effective crystal field ground state degeneracy.

On the role of quantum ion dynamics for the anomalous melting of lithium

NASA Astrophysics Data System (ADS)

Elatresh, Sabri; Bonev, Stanimir

2011-03-01

Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically. The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.

Real-space imaging of fractional quantum Hall liquids

NASA Astrophysics Data System (ADS)

Hayakawa, Junichiro; Muraki, Koji; Yusa, Go

2013-01-01

Electrons in semiconductors usually behave like a gas--as independent particles. However, when confined to two dimensions under a perpendicular magnetic field at low temperatures, they condense into an incompressible quantum liquid. This phenomenon, known as the fractional quantum Hall (FQH) effect, is a quantum-mechanical manifestation of the macroscopic behaviour of correlated electrons that arises when the Landau-level filling factor is a rational fraction. However, the diverse microscopic interactions responsible for its emergence have been hidden by its universality and macroscopic nature. Here, we report real-space imaging of FQH liquids, achieved with polarization-sensitive scanning optical microscopy using trions (charged excitons) as a local probe for electron spin polarization. When the FQH ground state is spin-polarized, the triplet/singlet intensity map exhibits a spatial pattern that mirrors the intrinsic disorder potential, which is interpreted as a mapping of compressible and incompressible electron liquids. In contrast, when FQH ground states with different spin polarization coexist, domain structures with spontaneous quasi-long-range order emerge, which can be reproduced remarkably well from the disorder patterns using a two-dimensional random-field Ising model. Our results constitute the first reported real-space observation of quantum liquids in a class of broken symmetry state known as the quantum Hall ferromagnet.

Multi-mode application of graphene quantum dots bonded silica stationary phase for high performance liquid chromatography.

PubMed

Wu, Qi; Sun, Yaming; Zhang, Xiaoli; Zhang, Xia; Dong, Shuqing; Qiu, Hongdeng; Wang, Litao; Zhao, Liang

2017-04-07

Graphene quantum dots (GQDs), which possess hydrophobic, hydrophilic, π-π stacking and hydrogen bonding properties, have great prospect in HPLC. In this study, a novel GQDs bonded silica stationary phase was prepared and applied in multiple separation modes including normal phase, reversed phase and hydrophilic chromatography mode. Alkaloids, nucleosides and nucleobases were chosen as test compounds to evaluate the separation performance of this column in hydrophilic chromatographic mode. The tested polar compounds achieved baseline separation and the resolutions reached 2.32, 4.62, 7.79, 1.68 for thymidine, uridine, adenosine, cytidine and guanosine. This new column showed satisfactory chromatographic performance for anilines, phenols and polycyclic aromatic hydrocarbons in normal and reversed phase mode. Five anilines were completely separated within 10min under the condition of mobile phase containing only 10% methanol. The effect of water content, buffer concentration and pH on chromatographic separation was further investigated, founding that this new stationary phase showed a complex retention mechanism of partitioning, adsorption and electrostatic interaction in hydrophilic chromatography mode, and the multiple retention interactions such as π-π stacking and π-π electron-donor-acceptor interaction played an important role during the separation process. This GQDs bonded column, which allows us to adjust appropriate chromatography mode according to the properties of analytes, has possibility in actual application after further research. Copyright © 2017 Elsevier B.V. All rights reserved.

Absence of Jahn-Teller transition in the hexagonal Ba 3CuSb 2O 9 single crystal

DOE PAGES

Katayama, Naoyuki; Kimura, Kenta; Han, Yibo; ...

2015-07-13

With decreasing temperature, liquids generally freeze into a solid state, losing entropy in the process. However, exceptions to this trend exist, such as quantum liquids, which may remain unfrozen down to absolute zero owing to strong quantum entanglement effects that stabilize a disordered state with zero entropy. Examples of such liquids include Bose-Einstein condensation of cold atoms, superconductivity, quantum Hall state of electron systems, and quantum spin liquid state in the frustrated magnets. Furthermore, recent studies have clarified the possibility of another exotic quantum liquid state based on the spin-orbital entanglement in FeSc2S4. To confirm this exotic ground state, experimentsmore » based on single-crystalline samples are essential. However, no such single-crystal study has been reported to date. Here, we report, to our knowledge, the first single-crystal study on the spin-orbital liquid candidate, 6H-Ba3CuSb2O9, and we have confirmed the absence of an orbital frozen state. In strongly correlated electron systems, orbital ordering usually appears at high temperatures in a process accompanied by a lattice deformation, called a static Jahn-Teller distortion. By combining synchrotron X-ray diffraction, electron spin resonance, Raman spectroscopy, and ultrasound measurements, we find that the static Jahn-Teller distortion is absent in the present material, which indicates that orbital ordering is suppressed down to the lowest temperatures measured. Lastly, we discuss how such an unusual feature is realized with the help of spin degree of freedom, leading to a spin-orbital entangled quantum liquid state.« less

Evidence for pressure-tuned quantum structural fluctuations in KCuF3

NASA Astrophysics Data System (ADS)

Yuan, S.; Kim, M.; Seeley, J.; Lal, S.; Abbamonte, P.; Cooper, S. L.

2012-02-01

Frustrated magnetic systems are currently of great interest because of the possibility that these materials exhibit novel ground states such as orbital and spin liquids. We provide evidence in the orbital-ordering material KCuF3 for pressure-tuned quantum melting of a static structural phase to a phase that dynamically fluctuates even near T ˜ 0K.[1] Pressure-dependent Raman scattering measurements show that applied pressure above P* ˜ 7kbar reverses a low temperature structural distortion in KCuF3, resulting in the development of a φ ˜ 0 fluctuational (quasielastic) response near T ˜ 0K. This pressure-induced fluctuational response is temperature independent and exhibits a characteristic fluctuation rate that is much larger than the temperature, γ >> KBT, consistent with quantum fluctuations of the CuF6 octahedra. We show that a previous developed model of pseudospin-phonon coupling qualitatively describes both the temperature- and pressure-dependent evolution of the Raman spectra of KCuF3. Work supported by the U.S. Department of Energy under Award No. DE-FG02-07ER46453 and by the National Science Foundation under Grant NSF DMR 08-56321. [4pt] [1] S. Yuan et al., arXiv:1107.1433 (2011).

Floquet Engineering in Quantum Chains

NASA Astrophysics Data System (ADS)

Kennes, D. M.; de la Torre, A.; Ron, A.; Hsieh, D.; Millis, A. J.

2018-03-01

We consider a one-dimensional interacting spinless fermion model, which displays the well-known Luttinger liquid (LL) to charge density wave (CDW) transition as a function of the ratio between the strength of the interaction U and the hopping J . We subject this system to a spatially uniform drive which is ramped up over a finite time interval and becomes time periodic in the long-time limit. We show that by using a density matrix renormalization group approach formulated for infinite system sizes, we can access the large-time limit even when the drive induces finite heating. When both the initial and long-time states are in the gapless (LL) phase, the final state has power-law correlations for all ramp speeds. However, when the initial and final state are gapped (CDW phase), we find a pseudothermal state with an effective temperature that depends on the ramp rate, both for the Magnus regime in which the drive frequency is very large compared to other scales in the system and in the opposite limit where the drive frequency is less than the gap. Remarkably, quantum defects (instantons) appear when the drive tunes the system through the quantum critical point, in a realization of the Kibble-Zurek mechanism.

Quantum simulations and many-body physics with light.

PubMed

Noh, Changsuk; Angelakis, Dimitris G

2017-01-01

In this review we discuss the works in the area of quantum simulation and many-body physics with light, from the early proposals on equilibrium models to the more recent works in driven dissipative platforms. We start by describing the founding works on Jaynes-Cummings-Hubbard model and the corresponding photon-blockade induced Mott transitions and continue by discussing the proposals to simulate effective spin models and fractional quantum Hall states in coupled resonator arrays (CRAs). We also analyse the recent efforts to study out-of-equilibrium many-body effects using driven CRAs, including the predictions for photon fermionisation and crystallisation in driven rings of CRAs as well as other dynamical and transient phenomena. We try to summarise some of the relatively recent results predicting exotic phases such as super-solidity and Majorana like modes and then shift our attention to developments involving 1D nonlinear slow light setups. There the simulation of strongly correlated phases characterising Tonks-Girardeau gases, Luttinger liquids, and interacting relativistic fermionic models is described. We review the major theory results and also briefly outline recent developments in ongoing experimental efforts involving different platforms in circuit QED, photonic crystals and nanophotonic fibres interfaced with cold atoms.

Thermal properties of spin-S Kitaev-Heisenberg model on a honeycomb lattice

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi; Yamaji, Youhei

2018-05-01

Temperature (T) dependence of heat capacity C (T) in the S = 1 / 2 Kitaev honeycomb model shows a double-peak structure resulting from fractionalization of spins into two kinds of Majorana fermions. Recently it has been discussed that the double-peak structure in C (T) is also observed in magnetic ordered phases of the S = 1 / 2 Kitaev-Heisenberg (KH) model on a honeycomb lattice when the system is located in the vicinity of the Kitaev's spin liquid phase. In addition to the S = 1 / 2 spin case, similar double-peak structure has been confirmed in the KH honeycomb model for classical Heisenberg spins, where spin S is regarded as S → ∞ . We investigate spin-S dependence of C (T) for the KH honeycomb models by using thermal pure quantum state. We also perform classical Monte Carlo calculations to obtain C (T) for the classical KH model. From obtained results, we find that the origin of the high-temperature peak is different between the quantum spin case with small Ss and the classical Heisenberg spin case. Furthermore, the high-temperature peak in the quantum spin case, which is one of the clues for fractionalization of spins, disappears for S > 1 .

The novel metallic states of the cuprates: Topological Fermi liquids and strange metals

NASA Astrophysics Data System (ADS)

Sachdev, Subir; Chowdhury, Debanjan

2016-12-01

We review ideas on the nature of the metallic states of the hole-doped cuprate high temperature superconductors, with an emphasis on the connections between the Luttinger theorem for the size of the Fermi surface, topological quantum field theories (TQFTs), and critical theories involving changes in the size of the Fermi surface. We begin with the derivation of the Luttinger theorem for a Fermi liquid, using momentum balance during a process of flux insertion in a lattice electronic model with toroidal boundary conditions. We then review the TQFT of the ℤ spin liquid, and demonstrate its compatibility with the toroidal momentum balance argument. This discussion leads naturally to a simple construction of "topological" Fermi liquid states: the fractionalized Fermi liquid (FL*) and the algebraic charge liquid (ACL). We present arguments for a description of the pseudogap metal of the cuprates using ℤ-FL* or ℤ-ACL states with Ising-nematic order. These pseudogap metal states are also described as Higgs phases of a SU(2) gauge theory. The Higgs field represents local antiferromagnetism, but the Higgs-condensed phase does not have long-range antiferromagnetic order: the magnitude of the Higgs field determines the pseudogap, the reconstruction of the Fermi surface, and the Ising-nematic order. Finally, we discuss the route to the large Fermi surface Fermi liquid via the critical point where the Higgs condensate and Ising nematic order vanish, and the application of Higgs criticality to the strange metal.

Beyond the Fermi liquid paradigm: Hidden Fermi liquids

PubMed Central

Jain, J. K.; Anderson, P. W.

2009-01-01

An intense investigation of possible non-Fermi liquid states of matter has been inspired by two of the most intriguing phenomena discovered in the past quarter century, namely, high-temperature superconductivity and the fractional quantum Hall effect. Despite enormous conceptual strides, these two fields have developed largely along separate paths. Two widely employed theories are the resonating valence bond theory for high-temperature superconductivity and the composite fermion theory for the fractional quantum Hall effect. The goal of this perspective article is to note that they subscribe to a common underlying paradigm: They both connect these exotic quantum liquids to certain ordinary Fermi liquids residing in unphysical Hilbert spaces. Such a relation yields numerous nontrivial experimental consequences, exposing these theories to rigorous and definitive tests. PMID:19506260

Facing the challenge of predicting the standard formation enthalpies of n-butyl-phosphate species with ab initio methods

NASA Astrophysics Data System (ADS)

Saab, Mohamad; Réal, Florent; Šulka, Martin; Cantrel, Laurent; Virot, François; Vallet, Valérie

2017-06-01

Tributyl-phosphate (TBP), a ligand used in the PUREX liquid-liquid separation process of spent nuclear fuel, can form an explosive mixture in contact with nitric acid that might lead to a violent explosive thermal runaway. In the context of safety of a nuclear reprocessing plant facility, it is crucial to predict the stability of TBP at elevated temperatures. So far, only the enthalpies of formation of TBP are available in the literature with rather large uncertainties, while those of its degradation products, di-(HDBP) and mono-(H2MBP), are unknown. In this goal, we have used state-of-the art quantum chemical methods to compute the formation enthalpies and entropies of TBP and its degradation products di-(HDBP) and mono-(H2MBP) in gas and liquid phases. Comparisons of levels of quantum chemical theory revealed that there are significant effects of correlation on their electronic structures, pushing for the need of not only high level of electronic correlation treatment, namely, local coupled cluster with single and double excitation operators and perturbative treatment of triple excitations, but also extrapolations to the complete basis to produce reliable and accurate thermodynamics data. Solvation enthalpies were computed with the conductor-like screening model for real solvents [COSMO-RS], for which we observe errors not exceeding 22 kJ mol-1. We thus propose with final uncertainty of about 20 kJ mol-1 standard enthalpies of formation of TBP, HDBP, and H2MBP which amounts to -1281.7 ± 24.4, -1229.4 ± 19.6, and -1176.7 ± 14.8 kJ mol-1, respectively, in the gas phase. In the liquid phase, the predicted values are -1367.3 ± 24.4, -1348.7 ± 19.6, and -1323.8± 14.8 kJ mol-1, to which we may add about -22 kJ mol-1 error from the COSMO-RS solvent model. From these data, the complete hydrolysis of TBP is predicted as an exothermic phenomena but showing a slightly endergonic process.

Unconventional quantum criticality emerging as a new common language of transition-metal compounds, heavy-fermion systems, and organic conductors.

PubMed

Imada, Masatoshi; Misawa, Takahiro; Yamaji, Youhei

2010-04-28

We analyze and overview some of the different types of unconventional quantum criticalities by focusing on two origins. One origin of the unconventionality is the proximity to first-order transitions. The border between the first-order and continuous transitions is described by a quantum tricritical point (QTCP) for symmetry breaking transitions. One of the characteristic features of the quantum tricriticality is the concomitant divergence of an order parameter and uniform fluctuations, in contrast to the conventional quantum critical point (QCP). The interplay of these two fluctuations generates unconventionality. Several puzzling non-Fermi-liquid properties in experiments are taken to be accounted for by the resultant universality, as in the cases of Y bRh(2)Si(2), CeRu(2)Si(2) and β-Y bAlB(4). Another more dramatic unconventionality appears again at the border of the first-order and continuous transitions, but in this case for topological transitions such as metal-insulator and Lifshitz transitions. This border, the marginal quantum critical point (MQCP), belongs to an unprecedented universality class with diverging uniform fluctuations at zero temperature. The Ising universality at the critical end point of the first-order transition at nonzero temperatures transforms to the marginal quantum criticality when the critical temperature is suppressed to zero. The MQCP has a unique feature with a combined character of symmetry breaking and topological transitions. In the metal-insulator transitions, the theoretical results are supported by experimental indications for V(2 - x)Cr(x)O(3) and an organic conductor κ-(ET)(2)Cu[N(CN)(2)]Cl. Identifying topological transitions also reveals how non-Fermi liquid appears as a phase in metals. The theory also accounts for the criticality of a metamagnetic transition in ZrZn(2), by interpreting it as an interplay of Lifshitz transition and correlation effects. We discuss the common underlying physics in these examples.

Global quantum discord and quantum phase transition in XY model

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

Liu, Si-Yuan; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190; Zhang, Yu-Ran, E-mail: yrzhang@iphy.ac.cn

We study the relationship between the behavior of global quantum correlations and quantum phase transitions in XY model. We find that the two kinds of phase transitions in the studied model can be characterized by the features of global quantum discord (GQD) and the corresponding quantum correlations. We demonstrate that the maximum of the sum of all the nearest neighbor bipartite GQDs is effective and accurate for signaling the Ising quantum phase transition, in contrast, the sudden change of GQD is very suitable for characterizing another phase transition in the XY model. This may shed lights on the study ofmore » properties of quantum correlations in different quantum phases.« less

Inelastic Light Scattering Measurements of a Pressure-Induced Quantum Liquid in KCuF3

NASA Astrophysics Data System (ADS)

Yuan, S.; Kim, M.; Seeley, J. T.; Lee, J. C. T.; Lal, S.; Abbamonte, P.; Cooper, S. L.

2012-11-01

Pressure-dependent, low-temperature inelastic light (Raman) scattering measurements of KCuF3 show that applied pressure above P*˜7kbar suppresses a previously observed structural phase transition temperature to zero temperature in KCuF3, resulting in the development of a fluctuational (quasielastic) response near T˜0K. This pressure-induced fluctuational response—which we associate with slow fluctuations of the CuF6 octahedral orientation—is temperature independent and exhibits a characteristic fluctuation rate that is much larger than the temperature, consistent with quantum fluctuations of the CuF6 octahedra. A model of pseudospin-phonon coupling provides a qualitative description of both the temperature- and pressure-dependent evolution of the Raman spectra of KCuF3.

No-go theorem for boson condensation in topologically ordered quantum liquids

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

Neupert, Titus; He, Huan; Keyserlingk, Curt von

Certain phase transitions between topological quantum field theories (TQFTs) are driven by the condensation of bosonic anyons. However, as bosons in a TQFT are themselves nontrivial collective excitations, there can be topological obstructions that prevent them from condensing. Here we formulate such an obstruction in the form of a no-go theorem. We use it to show that no condensation is possible in SO(3) k TQFTs with odd k. We further show that a 'layered' theory obtained by tensoring SO(3) k TQFT with itself any integer number of times does not admit condensation transitions either. Furthermore, this includes (as the casemore » k = 3) the noncondensability of any number of layers of the Fibonacci TQFT.« less

No-go theorem for boson condensation in topologically ordered quantum liquids

DOE PAGES

Neupert, Titus; He, Huan; Keyserlingk, Curt von; ...

2016-12-07

Certain phase transitions between topological quantum field theories (TQFTs) are driven by the condensation of bosonic anyons. However, as bosons in a TQFT are themselves nontrivial collective excitations, there can be topological obstructions that prevent them from condensing. Here we formulate such an obstruction in the form of a no-go theorem. We use it to show that no condensation is possible in SO(3) k TQFTs with odd k. We further show that a 'layered' theory obtained by tensoring SO(3) k TQFT with itself any integer number of times does not admit condensation transitions either. Furthermore, this includes (as the casemore » k = 3) the noncondensability of any number of layers of the Fibonacci TQFT.« less

Trapping photons on the line: controllable dynamics of a quantum walk

NASA Astrophysics Data System (ADS)

Xue, Peng; Qin, Hao; Tang, Bao

2014-04-01

Optical interferometers comprising birefringent-crystal beam displacers, wave plates, and phase shifters serve as stable devices for simulating quantum information processes such as heralded coined quantum walks. Quantum walks are important for quantum algorithms, universal quantum computing circuits, quantum transport in complex systems, and demonstrating intriguing nonlinear dynamical quantum phenomena. We introduce fully controllable polarization-independent phase shifters in optical pathes in order to realize site-dependent phase defects. The effectiveness of our interferometer is demonstrated through realizing single-photon quantum-walk dynamics in one dimension. By applying site-dependent phase defects, the translational symmetry of an ideal standard quantum walk is broken resulting in localization effect in a quantum walk architecture. The walk is realized for different site-dependent phase defects and coin settings, indicating the strength of localization signature depends on the level of phase due to site-dependent phase defects and coin settings and opening the way for the implementation of a quantum-walk-based algorithm.

Strange metal from local quantum chaos

NASA Astrophysics Data System (ADS)

Ben-Zion, Daniel; McGreevy, John

2018-04-01

How to make a model of a non-Fermi-liquid metal with efficient current dissipation is a long-standing problem. Results from holographic duality suggest a framework where local critical fermionic degrees of freedom provide both a source of decoherence for the Landau quasiparticle, and a sink for its momentum. This leads us to study a Kondo lattice type model with SYK models in place of the spin impurities. We find evidence for a stable phase at intermediate couplings.

Phase diagram and quantum order by disorder in the Kitaev K1-K2 honeycomb magnet

NASA Astrophysics Data System (ADS)

Rousochatzakis, Ioannis; Reuther, Johannes; Thomale, Ronny; Rachel, Stephan; Perkins, Natalia

We show that the topological Kitaev spin liquid on the honeycomb lattice is extremely fragile against the second neighbor Kitaev coupling K2, which has been recently identified as the dominant perturbation away from the nearest neighbor model in iridate Na2IrO3, and may also play a role in α-RuCl3. This coupling explains naturally the zig-zag ordering and the special entanglement between real and spin space observed recently in Na2IrO3. The minimal K1-K2 model that we present here holds in addition the unique property that the classical and quantum phase diagrams and their respective order-by-disorder mechanisms are qualitatively different due to their fundamentally different symmetry structure. Nsf DMR-1511768; Freie Univ. Berlin Excellence Initiative of German Research Foundation; European Research Council, ERC-StG-336012; DFG-SFB 1170; DFG-SFB 1143, DFG-SPP 1666, and Helmholtz association VI-521.

Structure of cyano-anion ionic liquids: X-ray scattering and simulations.

PubMed

Dhungana, Kamal B; Faria, Luiz F O; Wu, Boning; Liang, Min; Ribeiro, Mauro C C; Margulis, Claudio J; Castner, Edward W

2016-07-14

Ionic liquids with cyano anions have long been used because of their unique combination of low-melting temperatures, reduced viscosities, and increased conductivities. Recently we have shown that cyano anions in ionic liquids are particularly interesting for their potential use as electron donors to excited state photo-acceptors [B. Wu et al., J. Phys. Chem. B 119, 14790-14799 (2015)]. Here we report on bulk structural and quantum mechanical results for a series of ionic liquids based on the 1-ethyl-3-methylimidazolium cation, paired with the following five cyano anions: SeCN(-), SCN(-), N(CN)2 (-), C(CN)3 (-), and B(CN)4 (-). By combining molecular dynamics simulations, high-energy X-ray scattering measurements, and periodic boundary condition DFT calculations, we are able to obtain a comprehensive description of the liquid landscape as well as the nature of the HOMO-LUMO states for these ionic liquids in the condensed phase. Features in the structure functions for these ionic liquids are somewhat different than the commonly observed adjacency, charge-charge, and polarity peaks, especially for the bulkiest B(CN)4 (-) anion. While the other four cyano-anion ionic liquids present an anionic HOMO, the one for Im2,1 (+)/B(CN)4 (-) is cationic.

Quantum phases with differing computational power.

PubMed

Cui, Jian; Gu, Mile; Kwek, Leong Chuan; Santos, Marcelo França; Fan, Heng; Vedral, Vlatko

2012-05-01

The observation that concepts from quantum information has generated many alternative indicators of quantum phase transitions hints that quantum phase transitions possess operational significance with respect to the processing of quantum information. Yet, studies on whether such transitions lead to quantum phases that differ in their capacity to process information remain limited. Here we show that there exist quantum phase transitions that cause a distinct qualitative change in our ability to simulate certain quantum systems under perturbation of an external field by local operations and classical communication. In particular, we show that in certain quantum phases of the XY model, adiabatic perturbations of the external magnetic field can be simulated by local spin operations, whereas the resulting effect within other phases results in coherent non-local interactions. We discuss the potential implications to adiabatic quantum computation, where a computational advantage exists only when adiabatic perturbation results in coherent multi-body interactions.

Elementary Excitations in Quantum Liquids.

ERIC Educational Resources Information Center

Pines, David

1981-01-01

Discusses elementary excitations and their role in condensed matter physics, focusing on quantum plasma, helium liquids, and superconductors. Considers research primarily conducted in the 1950s and concludes with a brief survey of some closely related further developments. (Author/JN)

Casimir forces between defects in one-dimensional quantum liquids

NASA Astrophysics Data System (ADS)

Recati, A.; Fuchs, J. N.; Peça, C. S.; Zwerger, W.

2005-08-01

We discuss the effective interactions between two localized perturbations in one-dimensional quantum liquids. For noninteracting fermions, the interactions exhibit Friedel oscillations, giving rise to a Ruderman-Kittel-Kasuya-Yosida-type interaction familiar from impurity spins in metals. In the interacting case, at low energies, a Luttinger-liquid description applies. In the case of repulsive fermions, the Friedel oscillations of the interacting system are replaced, at long distances, by a universal Casimir-type interaction which depends only on the sound velocity and decays inversely with the separation. The Casimir-type interaction between localized perturbations embedded in a fermionic environment gives rise to a long-range coupling between quantum dots in ultracold Fermi gases, opening an alternative to couple qubits with neutral atoms. We also briefly discuss the case of bosonic quantum liquids in which the interaction between weak impurities turns out to be short ranged, decaying exponentially on the scale of the healing length.

A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene

NASA Astrophysics Data System (ADS)

Pederzoli, Marek; Pittner, Jiří

2017-03-01

We present surface hopping dynamics on potential energy surfaces resulting from the spin-orbit splitting, i.e., surfaces corresponding to the eigenstates of the total electronic Hamiltonian including the spin-orbit coupling. In this approach, difficulties arise because of random phases of degenerate eigenvectors and possibility of crossings of the resulting mixed states. Our implementation solves these problems and allows propagation of the coefficients both in the representation of the spin free Hamiltonian and directly in the "diagonal representation" of the mixed states. We also provide a detailed discussion of the state crossing and point out several peculiarities that were not mentioned in the previous literature. We also incorporate the effect of the environment via the quantum mechanics/molecular mechanics approach. As a test case, we apply our methodology to deactivation of thiophene and selenophene in the gas phase, ethanol solution, and bulk liquid phase. First, 100 trajectories without spin-orbit coupling have been calculated for thiophene starting both in S1 and S2 states. A subset of 32 initial conditions starting in the S2 state was then used for gas phase simulations with spin-orbit coupling utilizing the 3-step integrator of SHARC, our implementation of the 3-step propagator in Newton-X and two new "one-step" approaches. Subsequently, we carried out simulations in ethanol solution and bulk liquid phase for both thiophene and selenophene. For both molecules, the deactivation of the S2 state proceeds via the ring opening pathway. The total population of triplet states reaches around 15% and 40% after 80 fs for thiophene and selenophene, respectively. However, it only begins growing after the ring opening is initiated; hence, the triplet states do not directly contribute to the deactivation mechanism. For thiophene, the resulting deactivation lifetime of the S2 state was 68 fs in the gas phase, 76 fs in ethanol solution, and 78 fs in the liquid phase, in a good agreement with the experimental value of 80 fs (liquid phase). For selenophene, the obtained S2 lifetime was 60 fs in the gas phase and 62 fs for both ethanol solution and liquid phase. The higher rate of intersystem crossing to the triplet states in selenophene is likely the reason for the lower fluorescence observed in selenium containing polymer compounds.

Transport signatures of topology protected quantum criticality in Majorana islands

NASA Astrophysics Data System (ADS)

Papaj, Michal; Zhu, Zheng; Fu, Liang

Using numerical renormalization group we study a topological superconductor island coupled to three metallic leads in the vicinity of the charge degeneracy point. We show that the system flows to a non-Fermi liquid fixed point at low temperatures with fractional quantized DC conductance of 2 / 3e2 / h . Our proposal is experimentally feasible due to a much larger crossover temperature than in the previously studied cases and the robustness of the setup against the channel coupling anisotropy and charge degeneracy detuning. Including Majorana hybridization drives the system into a Fermi liquid phase at very low temperatures. The two proposed experimental signatures of multi-terminal electron teleportation include nonmonotonic temperature dependence of DC conductance and emergence of a plateau at 2 / 3e2 / h in tunnel coupling dependence of DC conductance. This work is funded by the DOE Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award de-sc0010526 (ZZ and LF) and the NSF STC ''Center for Integrated Quantum Materials'' under Cooperative Agreement No. DMR-1231319 (MP).

Synthesis and near-infrared fluorescence of K5NdLi2F10 nanocrystals and their dispersion with high doping concentration and long lifetime

NASA Astrophysics Data System (ADS)

Duan, Weikuan; Zhang, Yanyan; Wang, Zhongyue; Jiang, Jingyi; Liang, Chen; Wei, Wei

2014-05-01

K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd3+ ions (1 × 1020 cm-3) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers.K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd3+ ions (1 × 1020 cm-3) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers. Electronic supplementary information (ESI) available: Fitting curve of refractive index and detailed contents of Judd-Ofelt analysis. See DOI: 10.1039/c3nr06825k

Quantum-state resolved reactive scattering at the gas-liquid interface: F+squalane (C30H62) dynamics via high-resolution infrared absorption of nascent HF(v,J).

PubMed

Zolot, Alexander M; Dagdigian, Paul J; Nesbitt, David J

2008-11-21

Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic beam of F atoms [E(com)=0.7(3) kcalmol] with a continuously refreshed liquid hydrocarbon (squalane) surface under high vacuum conditions. Absolute HF(v,J) product densities are determined by infrared laser absorption spectroscopy, with velocity distributions along the probe axis derived from high resolution Dopplerimetry. Nascent HF(v

Quantum-state resolved reactive scattering at the gas-liquid interface: F +squalane (C30H62) dynamics via high-resolution infrared absorption of nascent HF(v,J)

NASA Astrophysics Data System (ADS)

Zolot, Alexander M.; Dagdigian, Paul J.; Nesbitt, David J.

2008-11-01

Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic beam of F atoms [Ecom=0.7(3)kcal/mol] with a continuously refreshed liquid hydrocarbon (squalane) surface under high vacuum conditions. Absolute HF(v,J) product densities are determined by infrared laser absorption spectroscopy, with velocity distributions along the probe axis derived from high resolution Dopplerimetry. Nascent HF(v ⩽3) products are formed in a highly nonequilibrium (inverted) vibrational distribution [⟨Evib⟩=13.2(2)kcal/mol], reflecting insufficient time for complete thermal accommodation with the surface prior to desorption. Colder, but still non-Boltzmann, rotational state populations [⟨Erot⟩=1.0(1)kcal/mol] indicate that some fraction of molecules directly scatter into the gas phase without rotationally equilibrating with the surface. Nascent HF also recoils from the liquid surface with excess translational energy, resulting in Doppler broadened linewidths that increase systematically with internal HF excitation. The data are consistent with microscopic branching in HF-surface dynamics following the reactive event, with (i) a direct reactive scattering fraction of newly formed product molecules leaving the surface promptly and (ii) a trapping desorption fraction that accommodates rotationally (though still not vibrationally) with the bulk liquid. Comparison with analogous gas phase F +hydrocarbon processes reveals that the liquid acts as a partial "heat sink" for vibrational energy flow on the time scale of the chemical reaction event.

Designing Quantum Spin-Orbital Liquids in Artificial Mott Insulators

PubMed Central

Dou, Xu; Kotov, Valeri N.; Uchoa, Bruno

2016-01-01

Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of artificial Mott insulators where antiferromagnetic correlations between spins and orbitals can be designed. We show that Coulomb impurity lattices on the surface of gapped honeycomb substrates, such as graphene on SiC, can be used to simulate SU(4) symmetric spin-orbital lattice models. We exploit the property that massive Dirac fermions form mid-gap bound states with spin and valley degeneracies in the vicinity of a Coulomb impurity. Due to electronic repulsion, the antiferromagnetic correlations of the impurity lattice are driven by a super-exchange interaction with SU(4) symmetry, which emerges from the bound states degeneracy at quarter filling. We propose that quantum spin-orbital liquids can be engineered in artificially designed solid-state systems at vastly higher temperatures than achievable in optical lattices with cold atoms. We discuss the experimental setup and possible scenarios for candidate quantum spin-liquids in Coulomb impurity lattices of various geometries. PMID:27553516

Quantum spin ices and magnetic states from dipolar-octupolar doublets on the pyrochlore lattice

NASA Astrophysics Data System (ADS)

Chen, Gang

We consider a class of electron systems in which dipolar-octupolar Kramers doublets arise on the pyrochlore lattice. In the localized limit, the Kramers doublets are described by the effective spin 1/2 pseudospins. The most general nearest-neighbor exchange model between these pseudospins is the XYZ model. In additional to dipolar ordered and octupolar ordered magnetic states, we show that this XYZ model exhibits two distinct quantum spin ice (QSI) phases, that we dub dipolar QSI and octupolar QSI. These two QSIs are distinct symmetry enriched U(1) quantum spin liquids, enriched by the lattice symmetry. Moreover, the XYZ model is absent from the notorious sign problem for a quantum Monte Carlo simulation in a large parameter space. We discuss the potential relevance to real material systems such as Dy2Ti2O7, Nd2Zr2O7, Nd2Hf2O7, Nd2Ir2O7, Nd2Sn2O7 and Ce2Sn2O7. chggst@gmail.com, Refs: Y-P Huang, G Chen, M Hermele, Phys. Rev. Lett. 112, 167203 (2014).

Geometric diffusion of quantum trajectories

PubMed Central

Yang, Fan; Liu, Ren-Bao

2015-01-01

A quantum object can acquire a geometric phase (such as Berry phases and Aharonov–Bohm phases) when evolving along a path in a parameter space with non-trivial gauge structures. Inherent to quantum evolutions of wavepackets, quantum diffusion occurs along quantum trajectories. Here we show that quantum diffusion can also be geometric as characterized by the imaginary part of a geometric phase. The geometric quantum diffusion results from interference between different instantaneous eigenstate pathways which have different geometric phases during the adiabatic evolution. As a specific example, we study the quantum trajectories of optically excited electron-hole pairs in time-reversal symmetric insulators, driven by an elliptically polarized terahertz field. The imaginary geometric phase manifests itself as elliptical polarization in the terahertz sideband generation. The geometric quantum diffusion adds a new dimension to geometric phases and may have applications in many fields of physics, e.g., transport in topological insulators and novel electro-optical effects. PMID:26178745

Temperature dependence of the NMR spin-lattice relaxation rate for spin-1/2 chains

NASA Astrophysics Data System (ADS)

Coira, E.; Barmettler, P.; Giamarchi, T.; Kollath, C.

2016-10-01

We use recent developments in the framework of a time-dependent matrix product state method to compute the nuclear magnetic resonance relaxation rate 1 /T1 for spin-1/2 chains under magnetic field and for different Hamiltonians (XXX, XXZ, isotropically dimerized). We compute numerically the temperature dependence of the 1 /T1 . We consider both gapped and gapless phases, and also the proximity of quantum critical points. At temperatures much lower than the typical exchange energy scale, our results are in excellent agreement with analytical results, such as the ones derived from the Tomonaga-Luttinger liquid (TLL) theory and bosonization, which are valid in this regime. We also cover the regime for which the temperature T is comparable to the exchange coupling. In this case analytical theories are not appropriate, but this regime is relevant for various new compounds with exchange couplings in the range of tens of Kelvin. For the gapped phases, either the fully polarized phase for spin chains or the low-magnetic-field phase for the dimerized systems, we find an exponential decrease in Δ /(kBT ) of the relaxation time and can compute the gap Δ . Close to the quantum critical point our results are in good agreement with the scaling behavior based on the existence of free excitations.

S=2 quasi-one-dimensional spin waves in CrCl2

NASA Astrophysics Data System (ADS)

Stone, M. B.; Ehlers, G.; Granroth, G. E.

2013-09-01

We examine the magnetic excitation spectrum in the S=2 Heisenberg antiferromagnet CrCl2. Inelastic neutron scattering measurements on powder samples are able to determine the significant exchange interactions in this system. A large anisotropy gap is observed in the spectrum below the Néel temperature and the ratio of the two largest exchange constants is Jc/Jb=9.1±2.2. However, no sign of a gapped quantum spin liquid excitation was found in the paramagnetic phase.

Magnetic Majorana Fermions

NASA Astrophysics Data System (ADS)

Moessner, Roderich

Condensed matter systems provide emergent mini-universes in which quasiparticles may exist which do not correspond to any experimentally detected elementary particle. Topological quantum materials have been particularly productive in this regard, with the present search focussing on Majorana fermions, known theoretically already for decades. Here, we discuss manifestations of magnetic Majorana fermions in the Kitaev model. We place particular emphasis on their fate when perturbations, such as Heisenberg terms, are added to the ideal model system, and address experimental signatures of their vestiges in phases adjacent to the spin liquid.

Enhanced Endosomal Escape by Light-Fueled Liquid-Metal Transformer.

PubMed

Lu, Yue; Lin, Yiliang; Chen, Zhaowei; Hu, Quanyin; Liu, Yang; Yu, Shuangjiang; Gao, Wei; Dickey, Michael D; Gu, Zhen

2017-04-12

Effective endosomal escape remains as the "holy grail" for endocytosis-based intracellular drug delivery. To date, most of the endosomal escape strategies rely on small molecules, cationic polymers, or pore-forming proteins, which are often limited by the systemic toxicity and lack of specificity. We describe here a light-fueled liquid-metal transformer for effective endosomal escape-facilitated cargo delivery via a chemical-mechanical process. The nanoscale transformer can be prepared by a simple approach of sonicating a low-toxicity liquid-metal. When coated with graphene quantum dots (GQDs), the resulting nanospheres demonstrate the ability to absorb and convert photoenergy to drive the simultaneous phase separation and morphological transformation of the inner liquid-metal core. The morphological transformation from nanospheres to hollow nanorods with a remarkable change of aspect ratio can physically disrupt the endosomal membrane to promote endosomal escape of payloads. This metal-based nanotransformer equipped with GQDs provides a new strategy for facilitating effective endosomal escape to achieve spatiotemporally controlled drug delivery with enhanced efficacy.

Electron doping a kagome spin liquid

DOE PAGES

Kelly, Z. A.; Gallagher, M. J.; McQueen, T. M.

2016-10-13

Herbertsmithite, ZnCu 3(OH) 6Cl 2, is a two-dimensional kagome lattice realization of a spin liquid, with evidence for fractionalized excitations and a gapped ground state. Such a quantum spin liquid has been proposed to underlie high-temperature superconductivity and is predicted to produce a wealth of new states, including a Dirac metal at 1/3 electron doping. Here, we report the topochemical synthesis of electron-doped ZnLi xCu 3(OH) 6Cl 2 from x=0 to x=1.8 (3/5 per Cu 2+). Contrary to expectations, no metallicity or superconductivity is induced. Instead, we find a systematic suppression of magnetic behavior across the phase diagram. Lastly, ourmore » results demonstrate that significant theoretical work is needed to understand and predict the role of doping in magnetically frustrated narrow band insulators, particularly the interplay between local structural disorder and tendency toward electron localization, and pave the way for future studies of doped spin liquids.« less

Experimental Bayesian Quantum Phase Estimation on a Silicon Photonic Chip.

PubMed

Paesani, S; Gentile, A A; Santagati, R; Wang, J; Wiebe, N; Tew, D P; O'Brien, J L; Thompson, M G

2017-03-10

Quantum phase estimation is a fundamental subroutine in many quantum algorithms, including Shor's factorization algorithm and quantum simulation. However, so far results have cast doubt on its practicability for near-term, nonfault tolerant, quantum devices. Here we report experimental results demonstrating that this intuition need not be true. We implement a recently proposed adaptive Bayesian approach to quantum phase estimation and use it to simulate molecular energies on a silicon quantum photonic device. The approach is verified to be well suited for prethreshold quantum processors by investigating its superior robustness to noise and decoherence compared to the iterative phase estimation algorithm. This shows a promising route to unlock the power of quantum phase estimation much sooner than previously believed.

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

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Magnetic field induced quantum dot brightening in liquid crystal synergized magnetic and semiconducting nanoparticle composite assemblies

DOE PAGES

Amaral, Jose Jussi; Wan, Jacky; Rodarte, Andrea L.; ...

2014-10-22

The design and development of multifunctional composite materials from artificial nano-constituents is one of the most compelling current research areas. This drive to improve over nature and produce ‘meta-materials’ has met with some success, but results have proven limited with regards to both the demonstration of synergistic functionalities and in the ability to manipulate the material properties post-fabrication and in situ. Here, magnetic nanoparticles (MNPs) and semiconducting quantum dots (QDs) are co-assembled in a nematic liquid crystalline (LC) matrix, forming composite structures in which the emission intensity of the quantum dots is systematically and reversibly controlled with a small appliedmore » magnetic field (<100 mT). This magnetic field-driven brightening, ranging between a two- to three-fold peak intensity increase, is a truly cooperative effect: the LC phase transition creates the co-assemblies, the clustering of the MNPs produces LC re-orientation at atypical low external field, and this re-arrangement produces compaction of the clusters, resulting in the detection of increased QD emission. These results demonstrate a synergistic, reversible, and an all-optical process to detect magnetic fields and additionally, as the clusters are self-assembled in a fluid medium, they offer the possibility for these sensors to be used in broad ranging fluid-based applications.« less

Bloch oscillations in the absence of a lattice

NASA Astrophysics Data System (ADS)

Meinert, Florian; Knap, Michael; Kirilov, Emil; Jag-Lauber, Katharina; Zvonarev, Mikhail B.; Demler, Eugene; Nägerl, Hanns-Christoph

2017-06-01

The interplay of strong quantum correlations and far-from-equilibrium conditions can give rise to striking dynamical phenomena. We experimentally investigated the quantum motion of an impurity atom immersed in a strongly interacting one-dimensional Bose liquid and subject to an external force. We found that the momentum distribution of the impurity exhibits characteristic Bragg reflections at the edge of an emergent Brillouin zone. Although Bragg reflections are typically associated with lattice structures, in our strongly correlated quantum liquid they result from the interplay of short-range crystalline order and kinematic constraints on the many-body scattering processes in the one-dimensional system. As a consequence, the impurity exhibits periodic dynamics, reminiscent of Bloch oscillations, although the quantum liquid is translationally invariant. Our observations are supported by large-scale numerical simulations.

Quantum states and optical responses of low-dimensional electron hole systems

NASA Astrophysics Data System (ADS)

Ogawa, Tetsuo

2004-09-01

Quantum states and their optical responses of low-dimensional electron-hole systems in photoexcited semiconductors and/or metals are reviewed from a theoretical viewpoint, stressing the electron-hole Coulomb interaction, the excitonic effects, the Fermi-surface effects and the dimensionality. Recent progress of theoretical studies is stressed and important problems to be solved are introduced. We cover not only single-exciton problems but also few-exciton and many-exciton problems, including electron-hole plasma situations. Dimensionality of the Wannier exciton is clarified in terms of its linear and nonlinear responses. We also discuss a biexciton system, exciton bosonization technique, high-density degenerate electron-hole systems, gas-liquid phase separation in an excited state and the Fermi-edge singularity due to a Mahan exciton in a low-dimensional metal.

Signatures of exciton condensation in a transition metal dichalcogenide

NASA Astrophysics Data System (ADS)

Kogar, Anshul; Rak, Melinda S.; Vig, Sean; Husain, Ali A.; Flicker, Felix; Joe, Young Il; Venema, Luc; MacDougall, Greg J.; Chiang, Tai C.; Fradkin, Eduardo; van Wezel, Jasper; Abbamonte, Peter

2017-12-01

Bose condensation has shaped our understanding of macroscopic quantum phenomena, having been realized in superconductors, atomic gases, and liquid helium. Excitons are bosons that have been predicted to condense into either a superfluid or an insulating electronic crystal. Using the recently developed technique of momentum-resolved electron energy-loss spectroscopy (M-EELS), we studied electronic collective modes in the transition metal dichalcogenide semimetal 1T-TiSe2. Near the phase-transition temperature (190 kelvin), the energy of the electronic mode fell to zero at nonzero momentum, indicating dynamical slowing of plasma fluctuations and crystallization of the valence electrons into an exciton condensate. Our study provides compelling evidence for exciton condensation in a three-dimensional solid and establishes M-EELS as a versatile technique sensitive to valence band excitations in quantum materials.

Non Fermi liquid properties of Ni-V close to the ferromagnetic quantum critical point

NASA Astrophysics Data System (ADS)

Schroeder, Almut; Ubaid-Kassis, Sara; Wyatt, Brendan; Vojta, Thomas

2011-03-01

Resistivity (ρ) and magnetization (M) data of the d-metal alloy Ni 1-x Vx are presented in the vicinity of the critical vanadium concentration xc ~ 11 % where the onset of long-range ferromagnetic (FM) order is suppressed to zero temperature. Above x c the temperature (T) dependence of the magnetic susceptibility is best described by simple nonuniversal power laws (e.g. M/H(T, H --> 0) ~ T α-1). Also the resistivity displays power laws (Δρ ~ T n) . Both exponents α (x) and n(x) vary with x displaying signatures of a disordered quantum phase transition in a metal very different than of a clean 3D FM. Supported by NSF (DMR-0306766, DMR-0339147, DMR-0906566) OBR-440653 and Research Corporation.

Selenium quantum dots: Preparation, structure, and properties

NASA Astrophysics Data System (ADS)

Qian, Fuli; Li, Xueming; Tang, Libin; Lai, Sin Ki; Lu, Chaoyu; Lau, Shu Ping

2017-01-01

An interesting class of low-dimensional nanomaterials, namely, selenium quantum dots (SeQDs), which are composed of nano-sized selenium particles, is reported in this study. The SeQDs possess a hexagonal crystal structure. They can be synthesized in large quantity by ultrasound liquid-phase exfoliation using NbSe2 powders as the source material and N-Methyl-2-pyrrolidone (NMP) as the dispersant. During sonication, the Nb-Se bonds dissociate; the SeQDs are formed, while niobium is separated by centrifugation. The SeQDs have a narrow diameter distribution from 1.9 to 4.6 nm and can be dispersed with high stability in NMP without the need for passivating agents. They exhibit photoluminescence properties that are expected to find useful applications in bioimaging, optoelectronics, as well as nanocomposites.

Magnetization curves of di-, tri- and tetramerized mixed spin-1 and spin-2 Heisenberg chains

NASA Astrophysics Data System (ADS)

Karľová, Katarína; Strečka, Jozef

2018-05-01

Magnetization curves of ferrimagnetic mixed spin-1 and spin-2 Heisenberg chains are calculated with the help of density-matrix renormalization group method and quantum Monte Carlo simulations by considering a spin dimerization (1,2), trimerization (1,1,2) and tetramerization (1,1,1,2). The investigated mixed-spin Heisenberg chains can be alternatively viewed as a pure spin-1 Heisenberg chain, which contains at a regular lattice positions spin-2 particles. Unlike the antiferromagnetic spin-1 Heisenberg chain solely displaying a zero magnetization plateau due to the Haldane phase, the ferrimagnetic mixed spin-(1,2), spin-(1,1,2) and spin-(1,1,1,2) Heisenberg chains exhibit more striking magnetization curves involving at least two intermediate magnetization plateaux and quantum spin-liquid states.

Optimal free descriptions of many-body theories

NASA Astrophysics Data System (ADS)

Turner, Christopher J.; Meichanetzidis, Konstantinos; Papić, Zlatko; Pachos, Jiannis K.

2017-04-01

Interacting bosons or fermions give rise to some of the most fascinating phases of matter, including high-temperature superconductivity, the fractional quantum Hall effect, quantum spin liquids and Mott insulators. Although these systems are promising for technological applications, they also present conceptual challenges, as they require approaches beyond mean-field and perturbation theory. Here we develop a general framework for identifying the free theory that is closest to a given interacting model in terms of their ground-state correlations. Moreover, we quantify the distance between them using the entanglement spectrum. When this interaction distance is small, the optimal free theory provides an effective description of the low-energy physics of the interacting model. Our construction of the optimal free model is non-perturbative in nature; thus, it offers a theoretical framework for investigating strongly correlated systems.

Dispersions of Semiconductor Nanoparticles in Thermotropic Liquid Crystal: From Optical Modification to Assisted Self-Assembly

NASA Astrophysics Data System (ADS)

Rodarte, Andrea L.

The interaction of semiconducting quantum dot nanoparticles (QDs) within thermotropic liquid crystalline (LC) materials are studied in this thesis. LC materials are ideal for bottom-up organization of nanoparticles as an active matrix that can be externally manipulated via electric or magnetic fields. In addition, the optical properties of QDs can be modified by the surrounding LC resulting in novel devices such as a quantum dot/liquid crystal laser. The first system studies the dispersion of spherical nanoparticles in the phase. The dispersion is investigated with the use of polarized optical microscopy, fluorescence microscopy and confocal scanning microscopy. Quantum dots well dispersed in the isotropic phase are expelled from ordered domains of LC at the phase transition. Under controlled conditions, the majority of QDs in the system can form ordered three dimensional assemblies that are situated at defect points in the liquid crystal. The internal order of the assemblies is probed utilizing Forster resonance energy transfer (FRET), combined with small angle X-ray scattering (SAXS). Furthermore, the location of these assemblies can be predetermined with the use of beads as defect nucleation points in the cell. The interaction of QDs in a cholesteric liquid crystal (CLC) is also investigated. The reflection band created by the periodic change of index of refraction in a planar aligned CLC acts as a 1-D photonic cavity when the CLC is doped with a low concentration of QDs. A Cano-wedge cell varies the pitch of the CLC leading to the formation of Grandjean steps. This spatially tunes the photonic stop band, changing the resonance condition and continuously altering both the emission wavelength and polarization state of the QD ensemble. Using high resolution spatially and spectrally resolved photoluminescence measurements, the emission is shown to be elliptically polarized and that the tilt of the ellipse, while dependent on the emission wavelength, additionally varies with distance across the Grandjean steps. Using ultrafast spectroscopic techniques the time-resolved emission from QD ensembles in CLC matrices with either planar or homeotropic alignment is observed. In the case of planar alignment and a well-defined spectral stop band the emergence of a second, faster decay time of less than 2 ns is observed. This short recombination pathway is observed only in samples where the QD emission spectrum partially overlaps the CLC stop band by 50% or more. Samples prepared with homeotropic alignment do not have a stop band and, consequently, do not lead to spectral or dynamical modulation of the QD emission. These observations indicate that coupling between the excitonic and the photonic cavity modes results in an enhancement and modulation of spontaneous emission in the liquid crystal medium. This work opens up the possibility of designing new QD based optical devices, such as tunable single photon sources, where spatial control of wavelength and polarization of the embedded QDs would allow great flexibility and added functionalities. For hybrid materials such as soft tunable photonic devices like liquid crystal lasers, stable dispersions of nanoparticles in LC are desired. For the system we investigate functionalizing the nanoparticles with LC like ligands. Isotropic and mesogenic ligands attached to the surface of CdSe (core only) and CdSe/ZnS (core/shell) QDs. The mesogenic ligand's flexible arm structure enhances ligand alignment with the local liquid crystal director, enhancing QD dispersion in the isotropic and nematic phases. To characterize QD dispersion on different length scales, fluorescence microscopy, x-ray scattering and scanning confocal photoluminescent imaging are used. These combined techniques demonstrate that the LC-modified QDs do not aggregate into the dense clusters observed for dots with simple isotropic ligands when dispersed in liquid crystal, but loosely associate in a fluid-like aggregate with an average inter-particle spacing of >10nm. The major goal in this research is to identify the strengths and weaknesses of utilizing liquid crystal materials for hybrid and metamaterials. The techniques developed within this thesis will be useful for the next step of bottom-up metamaterial fabrication.

Room-Temperature Quantum Cloning Machine with Full Coherent Phase Control in Nanodiamond

PubMed Central

Chang, Yan-Chun; Liu, Gang-Qin; Liu, Dong-Qi; Fan, Heng; Pan, Xin-Yu

2013-01-01

In contrast to the classical world, an unknown quantum state cannot be cloned ideally, as stated by the no-cloning theorem. However, it is expected that approximate or probabilistic quantum cloning will be necessary for different applications, and thus various quantum cloning machines have been designed. Phase quantum cloning is of particular interest because it can be used to attack the Bennett-Brassard 1984 (BB84) states used in quantum key distribution for secure communications. Here, we report the first room-temperature implementation of quantum phase cloning with a controllable phase in a solid-state system: the nitrogen-vacancy centre of a nanodiamond. The phase cloner works well for all qubits located on the equator of the Bloch sphere. The phase is controlled and can be measured with high accuracy, and the experimental results are consistent with theoretical expectations. This experiment provides a basis for phase-controllable quantum information devices. PMID:23511233

FIBER AND INTEGRATED OPTICS, LASER APPLICATIONS, AND OTHER PROBLEMS IN QUANTUM ELECTRONICS: Raman scattering spectra recorded in the course of the water-ice phase transition and laser diagnostics of heterophase water systems

NASA Astrophysics Data System (ADS)

Glushkov, S. M.; Panchishin, I. M.; Fadeev, V. V.

1989-04-01

The method of laser Raman spectroscopy was used to study heterophase water systems. The apparatus included an argon laser, an optical multichannel analyzer, and a microcomputer. The temperature dependences of the profiles of the valence (stretching) band in the Raman spectrum of liquid water between + 50 °C and - 7 °C and of polycrystalline ice Ih (from 0 to - 62 °C) were determined, as well as the spectral polarization characteristics of the Raman valence band. A method was developed for the determination of the partial concentrations of the H2O molecules in liquid and solid phases present as a mixture. An analysis was made of the errors of the method and the sources of these errors. Applications of the method to multiparameter problems in more complex water systems (for example, solutions of potassium iodide in water) were considered. Other potential practical applications of the method were discussed.

ESR modes in a Strong-Leg Ladder in the Tomonaga-Luttinger Liquid Phase

NASA Astrophysics Data System (ADS)

Zvyagin, S.; Ozerov, M.; Maksymenko, M.; Wosnitza, J.; Honecker, A.; Landee, C. P.; Turnbull, M.; Furuya, S. C.; Giamarchi, T.

Magnetic excitations in the strong-leg quantum spin ladder compound (C7H10N)2CuBr4 (known as DIMPY) in the field-induced Tomonaga-Luttinger spin liquid phase are studied by means of high-field electron spin resonance (ESR) spectroscopy. The presence of a gapped ESR mode with unusual non-linear frequency-field dependence is revealed experimentally. Using a combination of analytic and exact diagonalization methods, we compute the dynamical structure factor and identify this mode with longitudinal excitations in the antisymmetric channel. We argue that these excitations constitute a fingerprint of the spin dynamics in a strong-leg spin-1/2 Heisenberg antiferromagnetic ladder and owe its ESR observability to the uniform Dzyaloshinskii-Moriya interaction. This work was partially supported by the DFG and Helmholtz Gemeinschaft (Germany), Swiss SNF under Division II, and ERC synergy UQUAM project. We acknowledge the support of the HLD at HZDR, member of the European Magnetic Field Laboratory (EMFL).

Development of Phase-Stable Photon Upconverters for Efficient Solar Energy Utilization

NASA Astrophysics Data System (ADS)

Murakami, Yoichi

Photon upconversion based on triplet-triplet annihilation (TTA) of excited triplet molecules is drawing attention due to its applicability for weak incident light, possessing a potential for improving efficiencies of solar energy conversion devices. Since energy transfer between triplet levels of different molecules and TTA are based on the Dexter mechanism, inter-molecular collision is necessary and hence the majority of previous studies have been done with organic solvents, which are volatile and flammable. This paper presents the development and characterization of phase-stable photon upconverters fabricated with ionic liquids, which are room temperature molten salts with negligible vapor pressure and high thermal stability. The employed aromatic molecules, which are carrier of photo-created energies and are non-polar (or weakly polar) molecules, are found to be stable in the polar environment of ionic liquids, contrary to expectation. The mechanism of the stable solvation is proposed. The upconversion quantum yields are found to rapidly saturate as the excitation light power increases. An analytical model was developed and compared with the experimental data. It is shown that ionic liquids are not viscous media for the purpose of TTA-based upconversion.

Sonoluminescence Explained by the Standpoint of Coherent Quantum Vacuum Dynamics and its Prospects for Energy Production

NASA Astrophysics Data System (ADS)

Maxmilian Caligiuri, Luigi; Musha, Takaaki

Sonoluminescence, or its more frequently studied version known as Single Bubble Sonoluminescence, consisting in the emission of light by a collapsing bubble in water under ultrasounds, represents one of the most challenging and interesting phenomenon in theoretical physics. In fact, despite its relatively easy reproducibility in a simple laboratory, its understanding within the commonly accepted picture of condensed matter remained so far unsatisfactory. On the other hand, the possibility to control the physical process involved in sonoluminescence, representing a sort of nuclear fusion on small scale, could open unthinkable prospects of free energy production from water. Different explanations has been proposed during the past years considering, in various way, the photoemission to be related to electromagnetic Zero Point Field energy dynamics, by considering the bubble surface as a Casimir force boundary. More recently a model invoking Cherenkov radiation emission from superluminal photons generated in quantum vacuum has been successfully proposed. In this paper it will be shown that the same results can be more generally explained and quantitative obtained within a QED coherent dynamics of quantum vacuum, according to which the electromagnetic energy of the emitted photons would be related to the latent heat involved in the phase transition from water's vapor to liquid phase during the bubble collapse. The proposed approach could also suggest an explanation of a possible mechanism of generation of faster than light (FTL) photons required to start Cherenkov radiation as well as possible applications to energy production from quantum vacuum.

Anharmonic quantum mechanical systems do not feature phase space trajectories

NASA Astrophysics Data System (ADS)

Oliva, Maxime; Kakofengitis, Dimitris; Steuernagel, Ole

2018-07-01

Phase space dynamics in classical mechanics is described by transport along trajectories. Anharmonic quantum mechanical systems do not allow for a trajectory-based description of their phase space dynamics. This invalidates some approaches to quantum phase space studies. We first demonstrate the absence of trajectories in general terms. We then give an explicit proof for all quantum phase space distributions with negative values: we show that the generation of coherences in anharmonic quantum mechanical systems is responsible for the occurrence of singularities in their phase space velocity fields, and vice versa. This explains numerical problems repeatedly reported in the literature, and provides deeper insight into the nature of quantum phase space dynamics.

Quantum Monte Carlo studies of solvated systems

NASA Astrophysics Data System (ADS)

Schwarz, Kathleen; Letchworth Weaver, Kendra; Arias, T. A.; Hennig, Richard G.

2011-03-01

Solvation qualitatively alters the energetics of diverse processes from protein folding to reactions on catalytic surfaces. An explicit description of the solvent in quantum-mechanical calculations requires both a large number of electrons and exploration of a large number of configurations in the phase space of the solvent. These problems can be circumvented by including the effects of solvent through a rigorous classical density-functional description of the liquid environment, thereby yielding free energies and thermodynamic averages directly, while eliminating the need for explicit consideration of the solvent electrons. We have implemented and tested this approach within the CASINO Quantum Monte Carlo code. Our method is suitable for calculations in any basis within CASINO, including b-spline and plane wave trial wavefunctions, and is equally applicable to molecules, surfaces, and crystals. For our preliminary test calculations, we use a simplified description of the solvent in terms of an isodensity continuum dielectric solvation approach, though the method is fully compatible with more reliable descriptions of the solvent we shall employ in the future.

Electrical and Thermal Transport in Inhomogeneous Luttinger Liquids

DOE PAGES

DeGottardi, Wade; Matveev, K. A.

2015-06-12

In this paper, we study the transport properties of long quantum wires by generalizing the Luttinger liquid approach to allow for the finite lifetime of the bosonic excitations. Our theory accounts for long-range disorder and strong electron interactions, both of which are common features of experiments with quantum wires. We obtain the electrical and thermal resistances and thermoelectric properties of such quantum wires and find a strong deviation from perfect conductance quantization. Finally, we cast our results in terms of the thermal conductivity and bulk viscosity of the electron liquid and give the temperature scale above which the transport canmore » be described by classical hydrodynamics.« less

Observation of the Quantum Anomalous Hall Insulator to Anderson Insulator Quantum Phase Transition and its Scaling Behavior.

PubMed

Chang, Cui-Zu; Zhao, Weiwei; Li, Jian; Jain, J K; Liu, Chaoxing; Moodera, Jagadeesh S; Chan, Moses H W

2016-09-16

Fundamental insight into the nature of the quantum phase transition from a superconductor to an insulator in two dimensions, or from one plateau to the next or to an insulator in the quantum Hall effect, has been revealed through the study of its scaling behavior. Here, we report on the experimental observation of a quantum phase transition from a quantum-anomalous-Hall insulator to an Anderson insulator in a magnetic topological insulator by tuning the chemical potential. Our experiment demonstrates the existence of scaling behavior from which we extract the critical exponent for this quantum phase transition. We expect that our work will motivate much further investigation of many properties of quantum phase transition in this new context.

Designing Quantum Spin-Orbital Liquids in Artificial Mott Insulators

DOE PAGES

Dou, Xu; Kotov, Valeri N.; Uchoa, Bruno

2016-08-24

Quantum spin-orbital liquids are elusive strongly correlated states of matter that emerge from quantum frustration between spin and orbital degrees of freedom. A promising route towards the observation of those states is the creation of artificial Mott insulators where antiferromagnetic correlations between spins and orbitals can be designed. We show that Coulomb impurity lattices on the surface of gapped honeycomb substrates, such as graphene on SiC, can be used to simulate SU(4) symmetric spin-orbital lattice models. We exploit the property that massive Dirac fermions form mid-gap bound states with spin and valley degeneracies in the vicinity of a Coulomb impurity.more » Due to electronic repulsion, the antiferromagnetic correlations of the impurity lattice are driven by a super-exchange interaction with SU(4) symmetry, which emerges from the bound states degeneracy at quarter filling. We propose that quantum spin-orbital liquids can be engineered in artificially designed solid-state systems at vastly higher temperatures than achievable in optical lattices with cold atoms. Lastly, we discuss the experimental setup and possible scenarios for candidate quantum spin-liquids in Coulomb impurity lattices of various geometries.« less

Quantum phase diagram of distorted J 1 - J 2 Heisenberg S  =  1/2 antiferromagnet in honeycomb lattice: a modified spin wave study

NASA Astrophysics Data System (ADS)

Ghorbani, Elaheh; Shahbazi, Farhad; Mosadeq, Hamid

2016-10-01

Using the modified spin wave method, we study the {{J}1}-{{J}2} Heisenberg model with first and second neighbor antiferromagnetic exchange interactions. For a symmetric S  =  1/2 model, with the same couplings for all the equivalent neighbors, we find three phases in terms of the frustration parameter \\barα={{J}2}/{{J}1} : (1) a commensurate collinear ordering with staggered magnetization (Néel.I state) for 0≤slant \\barα≲ 0.207 , (2) a magnetically gapped disordered state for 0.207≲ \\barα≲ 0.369 , preserving all the symmetries of the Hamiltonian and lattice, which by definition is a quantum spin liquid (QSL) state and (3) a commensurate collinear ordering in which two out of the three nearest neighbor magnetizations are antiparallel and the remaining pair are parallel (Néel.II state), for 0.396≲ \\barα≤slant 1 . We also explore the phase diagram of a distorted {{J}1}-{{J}2} model with S  =  1/2. Distortion is introduced as an inequality of one nearest neighbor coupling with the other two. This yields a richer phase diagram by the appearance of a new gapped QSL, a gapless QSL and also a valence bond crystal phase in addition to the previous three phases found for the undistorted model.

Role of Oxygen in Ionic Liquid Gating on Two-Dimensional Cr2Ge2Te6: A Non-oxide Material.

PubMed

Chen, Yangyang; Xing, Wenyu; Wang, Xirui; Shen, Bowen; Yuan, Wei; Su, Tang; Ma, Yang; Yao, Yunyan; Zhong, Jiangnan; Yun, Yu; Xie, X C; Jia, Shuang; Han, Wei

2018-01-10

Ionic liquid gating can markedly modulate a material's carrier density so as to induce metallization, superconductivity, and quantum phase transitions. One of the main issues is whether the mechanism of ionic liquid gating is an electrostatic field effect or an electrochemical effect, especially for oxide materials. Recent observation of the suppression of the ionic liquid gate-induced metallization in the presence of oxygen for oxide materials suggests the electrochemical effect. However, in more general scenarios, the role of oxygen in the ionic liquid gating effect is still unclear. Here, we perform ionic liquid gating experiments on a non-oxide material: two-dimensional ferromagnetic Cr 2 Ge 2 Te 6 . Our results demonstrate that despite the large increase of the gate leakage current in the presence of oxygen, the oxygen does not affect the ionic liquid gating effect on  the channel resistance of Cr 2 Ge 2 Te 6 devices (<5% difference), which suggests the electrostatic field effect as the mechanism on non-oxide materials. Moreover, our results show that ionic liquid gating is more effective on the modulation of the channel resistances compared to the back gating across the 300 nm thick SiO 2 .

Liquid Metals as Plasma-facing Materials for Fusion Energy Systems: From Atoms to Tokamaks

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

Stone, Howard A.; Koel, Bruce E.; Bernasek, Steven L.

The objective of our studies was to advance our fundamental understanding of liquid metals as plasma-facing materials for fusion energy systems, with a broad scope: from atoms to tokamaks. The flow of liquid metals offers solutions to significant problems of the plasma-facing materials for fusion energy systems. Candidate metals include lithium, tin, gallium, and their eutectic combinations. However, such liquid metal solutions can only be designed efficiently if a range of scientific and engineering issues are resolved that require advances in fundamental fluid dynamics, materials science and surface science. In our research we investigated a range of significant and timelymore » problems relevant to current and proposed engineering designs for fusion reactors, including high-heat flux configurations that are being considered by leading fusion energy groups world-wide. Using experimental and theoretical tools spanning atomistic to continuum descriptions of liquid metals, and bridging surface chemistry, wetting/dewetting and flow, our research has advanced the science and engineering of fusion energy materials and systems. Specifically, we developed a combined experimental and theoretical program to investigate flows of liquid metals in fusion-relevant geometries, including equilibrium and stability of thin-film flows, e.g. wetting and dewetting, effects of electromagnetic and thermocapillary fields on liquid metal thin-film flows, and how chemical interactions and the properties of the surface are influenced by impurities and in turn affect the surface wetting characteristics, the surface tension, and its gradients. Because high-heat flux configurations produce evaporation and sputtering, which forces rearrangement of the liquid, and any dewetting exposes the substrate to damage from the plasma, our studies addressed such evaporatively driven liquid flows and measured and simulated properties of the different bulk phases and material interfaces. The range of our studies included (i) quantum mechanical calculations that allow inclusion of many thousands of atoms for the characterization of the interface of liquid metals exposed to continuous bombardment by deuterium and tritium as expected in fusion, (ii) molecular dynamics studies of the phase behavior of liquid metals, which (a) utilize thermodynamic properties computed using our quantum mechanical calculations and (b) establish material and wetting properties of the liquid metals, including relevant eutectics, (iii) experimental investigations of the surface science of liquid metals, interacting both with the solid substrate as well as gaseous species, and (iv) fluid dynamical studies that incorporate the material and surface science results of (ii) and (iii) in order to characterize flow in capillary porous materials and the thin-film flow along curved boundaries, both of which are potentially major components of plasma-facing materials. The outcome of these integrated studies was new understanding that enables developing design rules useful for future developments of the plasma-facing components critical to the success of fusion energy systems.« less

Velocity-dependent quantum phase slips in 1D atomic superfluids.

PubMed

Tanzi, Luca; Scaffidi Abbate, Simona; Cataldini, Federica; Gori, Lorenzo; Lucioni, Eleonora; Inguscio, Massimo; Modugno, Giovanni; D'Errico, Chiara

2016-05-18

Quantum phase slips are the primary excitations in one-dimensional superfluids and superconductors at low temperatures but their existence in ultracold quantum gases has not been demonstrated yet. We now study experimentally the nucleation rate of phase slips in one-dimensional superfluids realized with ultracold quantum gases, flowing along a periodic potential. We observe a crossover between a regime of temperature-dependent dissipation at small velocity and interaction and a second regime of velocity-dependent dissipation at larger velocity and interaction. This behavior is consistent with the predicted crossover from thermally-assisted quantum phase slips to purely quantum phase slips.

High performance liquid chromatography with mid-infrared detection based on a broadly tunable quantum cascade laser.

PubMed

Beskers, Timo F; Brandstetter, Markus; Kuligowski, Julia; Quintás, Guillermo; Wilhelm, Manfred; Lendl, Bernhard

2014-05-07

This work introduces a tunable mid-infrared (mid-IR) external cavity quantum cascade laser (EC-QCL) as a new molecular specific detector in liquid chromatography. An EC-QCL with a maximum tunability of 200 cm(-1) (1030-1230 cm(-1)) was coupled to isocratic high performance liquid chromatography (HPLC) for the separation of sugars with a cation exchange column (counter ion: Ca(2+)) and distilled water as the mobile phase. Transmission measurements in a 165 μm thick flow cell allowed for on-line coupling and independent quantification of glucose, fructose and sucrose in the concentration range from 5 mg mL(-1) to 100 mg mL(-1) in several beverages. The results obtained with the EC-QCL detector were found to be in good agreement with those obtained using a differential refractive index detector as a reference. The standard deviation of the method for the linear calibration was better than 5 mg mL(-1) for all sugars and reached a minimum of 1.9 mg mL(-1), while the DRI detector reached a minimum of 1 mg mL(-1). Besides the quantification of sugars for which a calibration was performed, also chromatographic peaks of other components could be identified on the basis of their IR absorption spectra. This includes taurine, ethanol, and sorbitol.

United polarizable multipole water model for molecular mechanics simulation

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

Qi, Rui; Wang, Qiantao; Ren, Pengyu, E-mail: pren@mail.utexas.edu

2015-07-07

We report the development of a united AMOEBA (uAMOEBA) polarizable water model, which is computationally 3–5 times more efficient than the three-site AMOEBA03 model in molecular dynamics simulations while providing comparable accuracy for gas-phase and liquid properties. In this coarse-grained polarizable water model, both electrostatic (permanent and induced) and van der Waals representations have been reduced to a single site located at the oxygen atom. The permanent charge distribution is described via the molecular dipole and quadrupole moments and the many-body polarization via an isotropic molecular polarizability, all located at the oxygen center. Similarly, a single van der Waals interactionmore » site is used for each water molecule. Hydrogen atoms are retained only for the purpose of defining local frames for the molecular multipole moments and intramolecular vibrational modes. The parameters have been derived based on a combination of ab initio quantum mechanical and experimental data set containing gas-phase cluster structures and energies, and liquid thermodynamic properties. For validation, additional properties including dimer interaction energy, liquid structures, self-diffusion coefficient, and shear viscosity have been evaluated. The results demonstrate good transferability from the gas to the liquid phase over a wide range of temperatures, and from nonpolar to polar environments, due to the presence of molecular polarizability. The water coordination, hydrogen-bonding structure, and dynamic properties given by uAMOEBA are similar to those derived from the all-atom AMOEBA03 model and experiments. Thus, the current model is an accurate and efficient alternative for modeling water.« less

Predicted reentrant melting of dense hydrogen at ultra-high pressures

PubMed Central

Geng, Hua Y.; Wu, Q.

2016-01-01

The phase diagram of hydrogen is one of the most important challenges in high-pressure physics and astrophysics. Especially, the melting of dense hydrogen is complicated by dimer dissociation, metallization and nuclear quantum effect of protons, which together lead to a cold melting of dense hydrogen when above 500 GPa. Nonetheless, the variation of the melting curve at higher pressures is virtually uncharted. Here we report that using ab initio molecular dynamics and path integral simulations based on density functional theory, a new atomic phase is discovered, which gives an uplifting melting curve of dense hydrogen when beyond 2 TPa, and results in a reentrant solid-liquid transition before entering the Wigner crystalline phase of protons. The findings greatly extend the phase diagram of dense hydrogen, and put metallic hydrogen into the group of alkali metals, with its melting curve closely resembling those of lithium and sodium. PMID:27834405

The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen

PubMed Central

Rabani, Eran; Reichman, David R.; Krilov, Goran; Berne, Bruce J.

2002-01-01

We present a method based on augmenting an exact relation between a frequency-dependent diffusion constant and the imaginary time velocity autocorrelation function, combined with the maximum entropy numerical analytic continuation approach to study transport properties in quantum liquids. The method is applied to the case of liquid para-hydrogen at two thermodynamic state points: a liquid near the triple point and a high-temperature liquid. Good agreement for the self-diffusion constant and for the real-time velocity autocorrelation function is obtained in comparison to experimental measurements and other theoretical predictions. Improvement of the methodology and future applications are discussed. PMID:11830656

One-Way Deficit and Quantum Phase Transitions in XX Model

NASA Astrophysics Data System (ADS)

Wang, Yao-Kun; Zhang, Yu-Ran

2018-02-01

Quantum correlations including entanglement and quantum discord have drawn much attention in characterizing quantum phase transitions. Quantum deficit originates in questions regarding work extraction from quantum systems coupled to a heat bath (Oppenheim et al. Phys. Rev. Lett. 89, 180402, 2002). It links quantum thermodynamics with quantum correlations and provides a new standpoint for understanding quantum non-locality. In this paper, we evaluate the one-way deficit of two adjacent spins in the bulk for the XX model. In the thermodynamic limit, the XX model undergoes a first order transition from fully polarized to a critical phase with quasi-long-range order with decrease of quantum parameter. We find that the one-way deficit becomes nonzero after the critical point. Therefore, the one-way deficit characterizes the quantum phase transition in the XX model.

Organic molecules as tools to control the growth, surface structure, and redox activity of colloidal quantum dots.

PubMed

Weiss, Emily A

2013-11-19

In order to achieve efficient and reliable technology that can harness solar energy, the behavior of electrons and energy at interfaces between different types or phases of materials must be understood. Conversion of light to chemical or electrical potential in condensed phase systems requires gradients in free energy that allow the movement of energy or charge carriers and facilitate redox reactions and dissociation of photoexcited states (excitons) into free charge carriers. Such free energy gradients are present at interfaces between solid and liquid phases or between inorganic and organic materials. Nanostructured materials have a higher density of these interfaces than bulk materials. Nanostructured materials, however, have a structural and chemical complexity that does not exist in bulk materials, which presents a difficult challenge: to lower or eliminate energy barriers to electron and energy flux that inevitably result from forcing different materials to meet in a spatial region of atomic dimensions. Chemical functionalization of nanostructured materials is perhaps the most versatile and powerful strategy for controlling the potential energy landscape of their interfaces and for minimizing losses in energy conversion efficiency due to interfacial structural and electronic defects. Colloidal quantum dots are semiconductor nanocrystals synthesized with wet-chemical methods and coated in organic molecules. Chemists can use these model systems to study the effects of chemical functionalization of nanoscale organic/inorganic interfaces on the optical and electronic properties of a nanostructured material, and the behavior of electrons and energy at interfaces. The optical and electronic properties of colloidal quantum dots have an intense sensitivity to their surface chemistry, and their organic adlayers make them dispersible in solvent. This allows researchers to use high signal-to-noise solution-phase spectroscopy to study processes at interfaces. In this Account, I describe the varied roles of organic molecules in controlling the structure and properties of colloidal quantum dots. Molecules serve as surfactant that determines the mechanism and rate of nucleation and growth and the final size and surface structure of a quantum dot. Anionic surfactant in the reaction mixture allows precise control over the size of the quantum dot core but also drives cation enrichment and structural disordering of the quantum dot surface. Molecules serve as chemisorbed ligands that dictate the energetic distribution of surface states. These states can then serve as thermodynamic traps for excitonic charge carriers or couple to delocalized states of the quantum dot core to change the confinement energy of excitonic carriers. Ligands, therefore, in some cases, dramatically shift the ground state absorption and photoluminescence spectra of quantum dots. Molecules also act as protective layers that determine the probability of redox processes between quantum dots and other molecules. How much the ligand shell insulates the quantum dot from electron exchange with a molecular redox partner depends less on the length or degree of conjugation of the native ligand and more on the density and packing structure of the adlayer and the size and adsorption mode of the molecular redox partner. Control of quantum dot properties in these examples demonstrates that nanoscale interfaces, while complex, can be rationally designed to enhance or specify the functionality of a nanostructured system.

Quantum phases for a charged particle and electric/magnetic dipole in an electromagnetic field

NASA Astrophysics Data System (ADS)

Kholmetskii, Alexander; Yarman, Tolga

2017-11-01

We point out that the known quantum phases for an electric/magnetic dipole moving in an electromagnetic field must be composed from more fundamental quantum phases emerging for moving elementary charges. Using this idea, we have found two new fundamental quantum phases, next to the known magnetic and electric Aharonov-Bohm phases, and discuss their general properties and physical meaning.

Universal measurement-based quantum computation in two-dimensional symmetry-protected topological phases

NASA Astrophysics Data System (ADS)

Wei, Tzu-Chieh; Huang, Ching-Yu

2017-09-01

Recent progress in the characterization of gapped quantum phases has also triggered the search for a universal resource for quantum computation in symmetric gapped phases. Prior works in one dimension suggest that it is a feature more common than previously thought, in that nontrivial one-dimensional symmetry-protected topological (SPT) phases provide quantum computational power characterized by the algebraic structure defining these phases. Progress in two and higher dimensions so far has been limited to special fixed points. Here we provide two families of two-dimensional Z2 symmetric wave functions such that there exists a finite region of the parameter in the SPT phases that supports universal quantum computation. The quantum computational power appears to lose its universality at the boundary between the SPT and the symmetry-breaking phases.

Solvent effects on the absorption spectrum and first hyperpolarizability of keto-enol tautomeric forms of anil derivatives: A Monte Carlo/quantum mechanics study

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

Adriano Junior, L.; Fonseca, T. L.; Castro, M. A.

2016-06-21

Theoretical results for the absorption spectrum and electric properties of the enol and keto tautomeric forms of anil derivatives in the gas-phase and in solution are presented. The electronic properties in chloroform, acetonitrile, methanol, and water were determined by carrying out sequential Monte Carlo simulations and quantum mechanics calculations based on the time dependent density functional theory and on the second-order Møller–Plesset perturbation theory method. The results illustrate the role played by electrostatic interactions in the electronic properties of anil derivatives in a liquid environment. There is a significant increase of the dipole moment in solution (20%-100%) relative to themore » gas-phase value. Solvent effects are mild for the absorption spectrum and linear polarizability but they can be particularly important for first hyperpolarizability. A large first hyperpolarizability contrast between the enol and keto forms is observed when absorption spectra present intense lowest-energy absorption bands. Dynamic results for the first hyperpolarizability are in qualitative agreement with the available experimental results.« less

How to detect fluctuating stripes in the high-temperature superconductors

NASA Astrophysics Data System (ADS)

Kivelson, S. A.; Bindloss, I. P.; Fradkin, E.; Oganesyan, V.; Tranquada, J. M.; Kapitulnik, A.; Howald, C.

2003-10-01

This article discusses fluctuating order in a quantum disordered phase proximate to a quantum critical point, with particular emphasis on fluctuating stripe order. Optimal strategies are derived for extracting information concerning such local order from experiments, with emphasis on neutron scattering and scanning tunneling microscopy. These ideas are tested by application to two model systems—an exactly solvable one-dimensional (1D) electron gas with an impurity, and a weakly interacting 2D electron gas. Experiments on the cuprate high-temperature superconductors which can be analyzed using these strategies are extensively reviewed. The authors adduce evidence that stripe correlations are widespread in the cuprates. They compare and contrast the advantages of two limiting perspectives on the high-temperature superconductor: weak coupling, in which correlation effects are treated as a perturbation on an underlying metallic (although renormalized) Fermi-liquid state, and strong coupling, in which the magnetism is associated with well-defined localized spins, and stripes are viewed as a form of micro phase separation. The authors present quantitative indicators that the latter view better accounts for the observed stripe phenomena in the cuprates.

Fe3O4@ionic liquid@methyl orange nanoparticles as a novel nano-adsorbent for magnetic solid-phase extraction of polycyclic aromatic hydrocarbons in environmental water samples.

PubMed

Liu, Xiaofei; Lu, Xin; Huang, Yong; Liu, Chengwei; Zhao, Shulin

2014-02-01

A novel nano-adsorbent, Fe3O4@ionic liquid@methyl orange nanoparticles (Fe3O4@IL@MO NPs), was prepared for magnetic solid-phase extraction (MSPE) of polycyclic aromatic hydrocarbons (PAHs) in environmental water samples. The Fe3O4@IL@MO NPs were synthesized by self-assembly of the ionic liquid 1-octadecyl-3-methylimidazolium bromide (C18mimBr) and methyl orange (MO) onto the surface of Fe3O4 silica magnetic nanoparticles, as confirmed by infrared spectroscopy, ultraviolet-visible spectroscopy and superconducting quantum interface device magnetometer. The extraction performance of Fe3O4@IL@MO NPs as a nano-adsorbent was evaluated by using five PAHs, fluorene (FLu), anthracene (AnT), pyrene (Pyr), benzo(a)anthracene (BaA) and benzo(a)pyrene (BaP) as model analytes. Under the optimum conditions, detection limits in the range of 0.1-2 ng/L were obtained by high performance liquid chromatography-fluorescence detection (HPLC-FLD). This method has been successfully applied for the determination of PAHs in environmental water samples by using the MSPE-HPLC-FLD. The recoveries for the five PAHs tested in spiked real water samples were in the range of 80.4-104.0% with relative standard deviations ranging from 2.3 to 4.9%. © 2013 Published by Elsevier B.V.

New Equations of State Based on the Liquid Drop Model of Heavy Nuclei and Quantum Approach to Light Nuclei for Core-collapse Supernova Simulations

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Sumiyoshi, Kohsuke; Yamada, Shoichi; Suzuki, Hideyuki

2013-08-01

We construct new equations of state for baryons at subnuclear densities for the use in core-collapse simulations of massive stars. The abundance of various nuclei is obtained together with thermodynamic quantities. A model free energy is constructed, based on the relativistic mean field theory for nucleons and the mass formula for nuclei with the proton number up to ~1000. The formulation is an extension of the previous model, in which we adopted the liquid drop model to all nuclei under the nuclear statistical equilibrium. We reformulate the new liquid drop model so that the temperature dependences of bulk energies could be taken into account. Furthermore, we extend the region in the nuclear chart, in which shell effects are included, by using theoretical mass data in addition to experimental ones. We also adopt a quantum-theoretical mass evaluation of light nuclei, which incorporates the Pauli- and self-energy shifts that are not included in the ordinary liquid drop model. The pasta phases for heavy nuclei are taken into account in the same way as in the previous model. We find that the abundances of heavy nuclei are modified by the shell effects of nuclei and temperature dependence of bulk energies. These changes may have an important effect on the rates of electron captures and coherent neutrino scatterings on nuclei in supernova cores. The abundances of light nuclei are also modified by the new mass evaluation, which may affect the heating and cooling rates of supernova cores and shocked envelopes.

Interacting adiabatic quantum motor

NASA Astrophysics Data System (ADS)

Bruch, Anton; Kusminskiy, Silvia Viola; Refael, Gil; von Oppen, Felix

2018-05-01

We present a field-theoretic treatment of an adiabatic quantum motor. We explicitly discuss a motor called the Thouless motor which is based on a Thouless pump operating in reverse. When a sliding periodic potential is considered to be the motor degree of freedom, a bias voltage applied to the electron channel sets the motor in motion. We investigate a Thouless motor whose electron channel is modeled as a Luttinger liquid. Interactions increase the gap opened by the periodic potential. For an infinite Luttinger liquid the coupling-induced friction is enhanced by electron-electron interactions. When the Luttinger liquid is ultimately coupled to Fermi liquid reservoirs, the dissipation reduces to its value for a noninteracting electron system for a constant motor velocity. Our results can also be applied to a motor based on a nanomagnet coupled to a quantum spin Hall edge.

Equations of state for hydrogen and deuterium.

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

Kerley, Gerald Irwin

2003-12-01

This report describes the complete revision of a deuterium equation of state (EOS) model published in 1972. It uses the same general approach as the 1972 EOS, i.e., the so-called 'chemical model,' but incorporates a number of theoretical advances that have taken place during the past thirty years. Three phases are included: a molecular solid, an atomic solid, and a fluid phase consisting of both molecular and atomic species. Ionization and the insulator-metal transition are also included. The most important improvements are in the liquid perturbation theory, the treatment of molecular vibrations and rotations, and the ionization equilibrium and mixturemore » models. In addition, new experimental data and theoretical calculations are used to calibrate certain model parameters, notably the zero-Kelvin isotherms for the molecular and atomic solids, and the quantum corrections to the liquid phase. The report gives a general overview of the model, followed by detailed discussions of the most important theoretical issues and extensive comparisons with the many experimental data that have been obtained during the last thirty years. Questions about the validity of the chemical model are also considered. Implications for modeling the 'giant planets' are also discussed.« less

Magnetic field stabilized electron-hole liquid in indirect-band-gap A l x G a 1 - x As

DOE PAGES

Alberi, K.; Fluegel, B.; Crooker, S. A.; ...

2016-02-29

An electron-hole liquid (EHL), a condensed liquidlike phase of free electrons and holes in a semiconductor, presents a unique system for exploring quantum many-body phenomena. And while the behavior of EHLs is generally understood, less attention has been devoted to systematically varying the onset of their formation and resulting properties. Here, we report on an experimental approach to tune the conditions of formation and characteristics using a combination of low excitation densities and high magnetic fields up to 90 T. Demonstration of this approach was carried out in indirect-band-gap A l 0.387 G a 0.613 As . EHL droplets canmore » be nucleated from one of two multiexciton complex states depending on the applied excitation density. Furthermore, the excitation density influences the carrier density of the EHL at high magnetic fields, where filling of successive Landau levels can be controlled. The ability to manipulate the formation pathway, temperature, and carrier density of the EHL phase under otherwise fixed experimental conditions makes our approach a powerful tool for studying condensed carrier phases in further detail.« less

Ground-state phases of the spin-1 J1-J2 Heisenberg antiferromagnet on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Li, P. H. Y.; Bishop, R. F.

2016-06-01

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling J1>0 and frustrating next-nearest-neighbor coupling J2≡κ J1>0 , using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range 0 <κ <1 we find evidence for four distinct phases. Two of these are quasiclassical phases with antiferromagnetic long-range order, one with two-sublattice Néel order for κ <κc1=0.250(5 ) , and another with four-sublattice Néel-II order for κ >κc 2=0.340 (5 ) . Two different paramagnetic phases are found to exist in the intermediate region. Over the range κc1<κ<κci=0.305 (5 ) we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range κci<κ <κc 2 we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry.

Condensation to a strongly correlated dark fluid of two dimensional dipolar excitons

NASA Astrophysics Data System (ADS)

Mazuz-Harpaz, Yotam; Cohen, Kobi; Rapaport, Ronen

2017-08-01

Recently we reported on the condensation of cold, electrostatically trapped dipolar excitons in GaAs bilayer heterostructure into a new, dense and dark collective phase. Here we analyze and discuss in detail the experimental findings and the emerging evident properties of this collective liquid-like phase. We show that the phase transition is characterized by a sharp increase of the number of non-emitting dipoles, by a clear contraction of the fluid spatial extent into the bottom of the parabolic-like trap, and by spectral narrowing. We extract the total density of the condensed phase which we find to be consistent with the expected density regime of a quantum liquid. We show that there are clear critical temperature and excitation power onsets for the phase transition and that as the power further increases above the critical power, the strong darkening is reduced down until no clear darkening is observed. At this point another transition appears which we interpret as a transition to a strongly repulsive yet correlated e-h plasma. Based on the experimental findings, we suggest that the physical mechanism that may be responsible for the transition is a dynamical final-state stimulation of the dipolar excitons to their dark spin states, which have a long lifetime and thus support the observed sharp increase in density. Further experiments and modeling will hopefully be able to unambiguously identify the physical mechanism behind these recent observations.

Engineered long-range interactions on a 2D array of trapped ions

NASA Astrophysics Data System (ADS)

Britton, Joseph W.; Sawyer, Brian C.; Bollinger, John J.; Freericks, James K.

2014-03-01

Ising interactions are one paradigm used to model quantum magnetism in condensed matter systems. At NIST Boulder we confine and Doppler laser cool hundreds of 9Be+ ions in a Penning trap. The valence electron of each ion behaves as an ideal spin-1/2 particle and, in the limit of weak radial confinement relative to axial confinement, the ions naturally form a two-dimensional triangular lattice. A variable-range anti-ferromagnetic Ising interaction is engineered with a spin-dependent optical dipole force (ODF) through spin-dependent excitation of collective modes of ion motion. We have also exploited this spin-dependent force to perform spectroscopy and thermometry of the normal modes of the trapped ion crystal. The high spin-count and long-range spin-spin couplings achievable in the NIST Penning trap brings within reach simulation of computationally intractable problems in quantum magnetism. Examples include modeling quantum magnetic phase transitions and propagation of spin correlations resulting from a quantum quench. The Penning system may also be amenable to observation of spin-liquid behavior thought to arise in systems where the underlying lattice structure can frustrate long-range ordering. Supported by DARPA OLE and NIST.

Beyond the Quantum Hall Effect: New Phases of 2D Electrons at High Magnetic Field

NASA Astrophysics Data System (ADS)

Eisenstein, James

2007-03-01

In this talk I will discuss recent experiments on high mobility single and double layer 2D electron systems in which collective phases lying outside the usual quantum Hall effect paradigm have been detected and studied. For example, in single layer 2D systems near half-filling of highly excited Landau levels new states characterized by a massive anisotropy in the electrical resistivity of the sample are observed at very low temperature. The anisotropy has been widely interpreted as the signature of a new class of correlated electron phases which incorporate a stripe-like charge density modulation. Orientational ordering of small striped domains at low temperatures accounts for the resistive anisotropy and is reminiscent of the isotropic-to-nematic phase transition in classical liquid crystals. Double layer 2D electron systems possess collective phases not present in single layer systems. In particular, when the total number of electrons in the bilayer equals the degeneracy of a single Landau level, an unusual phase appears at small layer separation. This phase possesses a novel broken symmetry, spontaneous interlayer phase coherence, which has a number of dramatic experimental signatures. The interlayer tunneling conductance develops a strong and very sharp resonance around zero bias resembling the dc Josephson effect. At the same time, both the longitudinal and Hall resistances of the sample vanish at low temperatures when currents are driven in opposite directions through the two layers. These, and other observations are broadly consistent with theories in which the broken symmetry phase can equivalently be described as a pseudospin ferromagnet or an (imperfect) excitonic superfluid. This work reflects a collaboration with M.P. Lilly, K.B. Cooper, I.B. Spielman, M. Kellogg, L.A. Tracy, L.N. Pfeiffer, and K.W. West.

Landau Levels of Majorana Fermions in a Spin Liquid.

PubMed

Rachel, Stephan; Fritz, Lars; Vojta, Matthias

2016-04-22

Majorana fermions, originally proposed as elementary particles acting as their own antiparticles, can be realized in condensed-matter systems as emergent quasiparticles, a situation often accompanied by topological order. Here we propose a physical system which realizes Landau levels-highly degenerate single-particle states usually resulting from an orbital magnetic field acting on charged particles-for Majorana fermions. This is achieved in a variant of a quantum spin system due to Kitaev which is distorted by triaxial strain. This strained Kitaev model displays a spin-liquid phase with charge-neutral Majorana-fermion excitations whose spectrum corresponds to that of Landau levels, here arising from a tailored pseudomagnetic field. We show that measuring the dynamic spin susceptibility reveals the Landau-level structure by a remarkable mechanism of probe-induced bound-state formation.

Orbital-free extension to Kohn-Sham density functional theory equation of state calculations: Application to silicon dioxide

DOE PAGES

Sjostrom, Travis; Crockett, Scott

2015-09-02

The liquid regime equation of state of silicon dioxide SiO 2 is calculated via quantum molecular dynamics in the density range of 5 to 15 g/cc and with temperatures from 0.5 to 100 eV, including the α-quartz and stishovite phase Hugoniot curves. Below 8 eV calculations are based on Kohn-Sham density functional theory (DFT), and above 8 eV a new orbital-free DFT formulation, presented here, based on matching Kohn-Sham DFT calculations is employed. Recent experimental shock data are found to be in very good agreement with the current results. Finally both experimental and simulation data are used in constructing amore » new liquid regime equation of state table for SiO 2.« less

Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, and trimethylgermyl derivatives of 3,3-dimethylcyclopropene III. 3,3-Dimethyl-1-(trimethylsilyl)cyclopropene

NASA Astrophysics Data System (ADS)

De Maré, G. R.; Panchenko, Yu. N.; Abramenkov, A. V.; Baird, M. S.; Tverezovsky, V. V.; Nizovtsev, A. V.; Bolesov, I. G.

2003-07-01

The experimental Raman and IR vibrational spectra of 3,3-dimethyl-1-(trimethylsilyl)cyclopropene in the liquid phase were recorded. Total geometry optimisation was carried out at the HF/6-31G* level and the HF/6-31G*//HF/6-31G* force field was computed. This force field was corrected by scale factors determined previously (using Pulay's method) for correction of the HF/6-31G*//HF/6-31G* force fields of 3,3-dimethylbutene-1, 1-methyl-, 1,2-dimethyl-, and 3,3-dimethylcyclopropene. The theoretical vibrational frequencies calculated from the scaled quantum mechanical force field and the theoretical intensities obtained from the quantum mechanical calculation were used to construct predicted spectra and to perform the vibrational analysis of the experimental spectra.

Protein-protected luminescent noble metal quantum clusters: an emerging trend in atomic cluster nanoscience

PubMed Central

Xavier, Paulrajpillai Lourdu; Chaudhari, Kamalesh; Baksi, Ananya; Pradeep, Thalappil

2012-01-01

Noble metal quantum clusters (NMQCs) are the missing link between isolated noble metal atoms and nanoparticles. NMQCs are sub-nanometer core sized clusters composed of a group of atoms, most often luminescent in the visible region, and possess intriguing photo-physical and chemical properties. A trend is observed in the use of ligands, ranging from phosphines to functional proteins, for the synthesis of NMQCs in the liquid phase. In this review, we briefly overview recent advancements in the synthesis of protein protected NMQCs with special emphasis on their structural and photo-physical properties. In view of the protein protection, coupled with direct synthesis and easy functionalization, this hybrid QC-protein system is expected to have numerous optical and bioimaging applications in the future, pointers in this direction are visible in the literature. PMID:22312454

Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials.

PubMed

Pai, Sung Jin; Yeo, Byung Chul; Han, Sang Soo

2016-01-21

Liquid CBN (carbon-boron-nitrogen) hydrogen-storage materials such as 3-methyl-1,2-BN-cyclopentane have the advantage of being easily accessible for use in current liquid-fuel infrastructure. To develop practical liquid CBN hydrogen-storage materials, it is of great importance to understand the reaction pathways of hydrogenation/dehydrogenation in the liquid phase, which are difficult to discover by experimental methods. Herein, we developed a reactive force field (ReaxFFCBN) from quantum mechanical (QM) calculations based on density functional theory for the storage of hydrogen in BN-substituted cyclic hydrocarbon materials. The developed ReaxFFCBN provides similar dehydrogenation pathways and energetics to those predicted by QM calculations. Moreover, molecular dynamics (MD) simulations with the developed ReaxFFCBN can predict the stability and dehydrogenation behavior of various liquid CBN hydrogen-storage materials. Our simulations reveal that a unimolecular dehydrogenation mechanism is preferred in liquid CBN hydrogen-storage materials. However, as the temperature in the simulation increases, the contribution of a bimolecular dehydrogenation mechanism also increases. Moreover, our ReaxFF MD simulations show that in terms of thermal stability and dehydrogenation kinetics, liquid CBN materials with a hexagonal structure are more suitable materials than those with a pentagonal structure. We expect that the developed ReaxFFCBN could be a useful protocol in developing novel liquid CBN hydrogen-storage materials.

Breakdown of the independent electron picture in mesoscopic samples at low temperatures: The hunt for the Unicorn

NASA Astrophysics Data System (ADS)

Webb, R. A.

1998-03-01

A variety of experiments are discussed where, at low temperatures, it appears that the non-interacting picture of electrons in a Fermi liquid description of a mesoscopic sample is breaking down. Specifically, experiments on the temperature dependence of the phase-coherence time, energy relaxation rate, spin-flip scattering time, persistent currents in normal metals and transmission through a barrier in the fractional quantum Hall regime all display low-temperature properties which can not be accounted for in the independent electron picture.

Nodal gap structure and order parameter symmetry of the unconventional superconductor UPt₃

DOE PAGES

Gannon, W. J.; Halperin, W. P.; Rastovski, C.; ...

2015-02-01

Spanning a broad range of physical systems, complex symmetry breaking is widely recognized as a hallmark of competing interactions. This is exemplified in superfluid ³He which has multiple thermodynamic phases with spin and orbital quantum numbers S = 1 and L = 1, that emerge on cooling from a nearly ferromagnetic Fermi liquid. The heavy fermion compound UPt₃ exhibits similar behavior clearly manifest in its multiple superconducting phases. However, consensus as to its order parameter symmetry has remained elusive. Our small angle neutron scattering measurements indicate a linear temperature dependence of the London penetration depth characteristic of nodal structure ofmore » the order parameter. Our theoretical analysis is consistent with assignment of its symmetry to an L = 3 odd parity state for which one of the three thermodynamic phases in non-zero magnetic field is chiral.« less

Nodal gap structure and order parameter symmetry of the unconventional superconductor UPt₃

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

Gannon, W. J.; Halperin, W. P.; Rastovski, C.

Spanning a broad range of physical systems, complex symmetry breaking is widely recognized as a hallmark of competing interactions. This is exemplified in superfluid ³He which has multiple thermodynamic phases with spin and orbital quantum numbers S = 1 and L = 1, that emerge on cooling from a nearly ferromagnetic Fermi liquid. The heavy fermion compound UPt₃ exhibits similar behavior clearly manifest in its multiple superconducting phases. However, consensus as to its order parameter symmetry has remained elusive. Our small angle neutron scattering measurements indicate a linear temperature dependence of the London penetration depth characteristic of nodal structure ofmore » the order parameter. Our theoretical analysis is consistent with assignment of its symmetry to an L = 3 odd parity state for which one of the three thermodynamic phases in non-zero magnetic field is chiral.« less

Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

PubMed

Lin, Shiang-Tai; Maiti, Prabal K; Goddard, William A

2010-06-24

Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

Continuous-variable geometric phase and its manipulation for quantum computation in a superconducting circuit.

PubMed

Song, Chao; Zheng, Shi-Biao; Zhang, Pengfei; Xu, Kai; Zhang, Libo; Guo, Qiujiang; Liu, Wuxin; Xu, Da; Deng, Hui; Huang, Keqiang; Zheng, Dongning; Zhu, Xiaobo; Wang, H

2017-10-20

Geometric phase, associated with holonomy transformation in quantum state space, is an important quantum-mechanical effect. Besides fundamental interest, this effect has practical applications, among which geometric quantum computation is a paradigm, where quantum logic operations are realized through geometric phase manipulation that has some intrinsic noise-resilient advantages and may enable simplified implementation of multi-qubit gates compared to the dynamical approach. Here we report observation of a continuous-variable geometric phase and demonstrate a quantum gate protocol based on this phase in a superconducting circuit, where five qubits are controllably coupled to a resonator. Our geometric approach allows for one-step implementation of n-qubit controlled-phase gates, which represents a remarkable advantage compared to gate decomposition methods, where the number of required steps dramatically increases with n. Following this approach, we realize these gates with n up to 4, verifying the high efficiency of this geometric manipulation for quantum computation.

Molecular Dynamics Simulation of the Thermophysical Properties of Quantum Liquid Helium Using the Feynman-Hibbs Potential

NASA Astrophysics Data System (ADS)

Liu, J.; Lu, W. Q.

2010-03-01

This paper presents the detailed MD simulation on the properties including the thermal conductivities and viscosities of the quantum fluid helium at different state points. The molecular interactions are represented by the Lennard-Jones pair potentials supplemented by quantum corrections following the Feynman-Hibbs approach and the properties are calculated using the Green-Kubo equations. A comparison is made among the numerical results using LJ and QFH potentials and the existing database and shows that the LJ model is not quantitatively correct for the supercritical liquid helium, thereby the quantum effect must be taken into account when the quantum fluid helium is studied. The comparison of the thermal conductivity is also made as a function of temperatures and pressure and the results show quantum effect correction is an efficient tool to get the thermal conductivities.

Conductance in inhomogeneous quantum wires: Luttinger liquid predictions and quantum Monte Carlo results

NASA Astrophysics Data System (ADS)

Morath, D.; Sedlmayr, N.; Sirker, J.; Eggert, S.

2016-09-01

We study electron and spin transport in interacting quantum wires contacted by noninteracting leads. We theoretically model the wire and junctions as an inhomogeneous chain where the parameters at the junction change on the scale of the lattice spacing. We study such systems analytically in the appropriate limits based on Luttinger liquid theory and compare the results to quantum Monte Carlo calculations of the conductances and local densities near the junction. We first consider an inhomogeneous spinless fermion model with a nearest-neighbor interaction and then generalize our results to a spinful model with an on-site Hubbard interaction.

Entanglement in 3D Kitaev spin liquids

NASA Astrophysics Data System (ADS)

Matern, S.; Hermanns, M.

2018-06-01

Quantum spin liquids are highly fascinating quantum liquids in which the spin degrees of freedom fractionalize. An interesting class of spin liquids are the exactly solvable, three-dimensional Kitaev spin liquids. Their fractionalized excitations are Majonara fermions, which may exhibit a variety of topological band structures—ranging from topologically protected Weyl semi-metals over nodal semi-metals to systems with Majorana Fermi surfaces. We study the entanglement spectrum of such Kitaev spin liquids and verify that it is closely related to the topologically protected edge spectrum. Moreover, we find that in some cases the entanglement spectrum contains even more information about the topological features than the surface spectrum, and thus provides a simple and reliable tool to probe the topology of a system.

A Centrality and Event Plane Detector for STAR to Complete the Phase Diagram of Quantum Chromodynamics

NASA Astrophysics Data System (ADS)

Halal, George; STAR Collaboration

2017-09-01

The properties of the nearly perfect liquid, Quark Gluon Plasma (QGP), which filled the universe a microsecond after the Big Bang are studied by colliding heavy-ions at relativistic energies. Our project focuses on building and testing an Event Plane Detector (EPD) for the STAR experiment and analyzing the data collected from collisions. When a minimum ionizing particle hits one of the optically-isolated tiles of this detector, which are made of scintillator plastic, it lights up. The light then travels through a wavelength-shifting fiber embedded in the tile to a clear optical fiber to be detected by silicon photo-multipliers. This detector is an improved version of the Beam-Beam Counter, which is currently at STAR. It will help us measure the centrality and event plane of collisions with more precision. Data collected will aid us in mapping out the transition phase between the QGP and hadronic matter, which evolved into the chemical elements we see today, and in searching for a unique critical point in the phase diagram of Quantum Chromodynamics matter. In 2017, a commissioning run has taken place at RHIC, colliding protons at 510 GeV and gold ions at 54.4 GeV. Some data analysis from one eighth of the EPD that is installed will also be discussed.

Theory of coherent quantum phase slips in Josephson junction chains with periodic spatial modulations

NASA Astrophysics Data System (ADS)

Svetogorov, Aleksandr E.; Taguchi, Masahiko; Tokura, Yasuhiro; Basko, Denis M.; Hekking, Frank W. J.

2018-03-01

We study coherent quantum phase slips which lift the ground state degeneracy in a Josephson junction ring, pierced by a magnetic flux of the magnitude equal to half of a flux quantum. The quantum phase-slip amplitude is sensitive to the normal mode structure of superconducting phase oscillations in the ring (Mooij-Schön modes). These, in turn, are affected by spatial inhomogeneities in the ring. We analyze the case of weak periodic modulations of the system parameters and calculate the corresponding modification of the quantum phase-slip amplitude.

Combined plasma gas-phase synthesis and colloidal processing of InP/ZnS core/shell nanocrystals.

PubMed

Gresback, Ryan; Hue, Ryan; Gladfelter, Wayne L; Kortshagen, Uwe R

2011-01-12

Indium phosphide nanocrystals (InP NCs) with diameters ranging from 2 to 5 nm were synthesized with a scalable, flow-through, nonthermal plasma process at a rate ranging from 10 to 40 mg/h. The NC size is controlled through the plasma operating parameters, with the residence time of the gas in the plasma region strongly influencing the NC size. The NC size distribution is narrow with the standard deviation being less than 20% of the mean NC size. Zinc sulfide (ZnS) shells were grown around the plasma-synthesized InP NCs in a liquid phase reaction. Photoluminescence with quantum yields as high as 15% were observed for the InP/ZnS core-shell NCs.

Combined plasma gas-phase synthesis and colloidal processing of InP/ZnS core/shell nanocrystals

PubMed Central

2011-01-01

Indium phosphide nanocrystals (InP NCs) with diameters ranging from 2 to 5 nm were synthesized with a scalable, flow-through, nonthermal plasma process at a rate ranging from 10 to 40 mg/h. The NC size is controlled through the plasma operating parameters, with the residence time of the gas in the plasma region strongly influencing the NC size. The NC size distribution is narrow with the standard deviation being less than 20% of the mean NC size. Zinc sulfide (ZnS) shells were grown around the plasma-synthesized InP NCs in a liquid phase reaction. Photoluminescence with quantum yields as high as 15% were observed for the InP/ZnS core-shell NCs. PMID:21711589

Combined plasma gas-phase synthesis and colloidal processing of InP/ZnS core/shell nanocrystals

NASA Astrophysics Data System (ADS)

Gresback, Ryan; Hue, Ryan; Gladfelter, Wayne L.; Kortshagen, Uwe R.

2011-12-01

Indium phosphide nanocrystals (InP NCs) with diameters ranging from 2 to 5 nm were synthesized with a scalable, flow-through, nonthermal plasma process at a rate ranging from 10 to 40 mg/h. The NC size is controlled through the plasma operating parameters, with the residence time of the gas in the plasma region strongly influencing the NC size. The NC size distribution is narrow with the standard deviation being less than 20% of the mean NC size. Zinc sulfide (ZnS) shells were grown around the plasma-synthesized InP NCs in a liquid phase reaction. Photoluminescence with quantum yields as high as 15% were observed for the InP/ZnS core-shell NCs.

Vapor-liquid phase equilibria of water modelled by a Kim-Gordon potential

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

Maerzke, Katie A.; McGrath, M. J.; Kuo, I-F W.

2009-09-07

Gibbs ensemble Monte Carlo simulations were carried out to investigate the properties of a frozen-electron-density (or Kim-Gordon, KG) model of water along the vapor-liquid coexistence curve. Because of its theoretical basis, such a KG model provides for seamless coupling to Kohn-Sham density functional theory for use in mixed quantum mechanics/molecular mechanics (QM/MM) implementations. The Gibbs ensemble simulations indicate rather limited transferability of such a simple KG model to other state points. Specifically, a KG model that was parameterized by Barker and Sprik to the properties of liquid water at 300 K, yields saturated vapor pressures and a critical temperature thatmore » are significantly under- and overestimated, respectively. We present a comprehensive density functional theory study to asses the accuracy of two popular exchange correlation functionals on the structure and density of liquid water at ambient conditions This work was supported by the US Department of Energy Office of Basic Energy Science Chemical Sciences Program. Battelle operates Pacific Northwest National Laboratory for the US Department of Energy.« less

Phase diagram of quantum critical system via local convertibility of ground state

PubMed Central

Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

2016-01-01

We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models. PMID:27381284

Finite-size effects in Luther-Emery phases of Holstein and Hubbard models

NASA Astrophysics Data System (ADS)

Greitemann, J.; Hesselmann, S.; Wessel, S.; Assaad, F. F.; Hohenadler, M.

2015-12-01

The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable.

Quantum Optics in Phase Space

NASA Astrophysics Data System (ADS)

Schleich, Wolfgang P.

2001-04-01

Quantum Optics in Phase Space provides a concise introduction to the rapidly moving field of quantum optics from the point of view of phase space. Modern in style and didactically skillful, Quantum Optics in Phase Space prepares students for their own research by presenting detailed derivations, many illustrations and a large set of workable problems at the end of each chapter. Often, the theoretical treatments are accompanied by the corresponding experiments. An exhaustive list of references provides a guide to the literature. Quantum Optics in Phase Space also serves advanced researchers as a comprehensive reference book. Starting with an extensive review of the experiments that define quantum optics and a brief summary of the foundations of quantum mechanics the author Wolfgang P. Schleich illustrates the properties of quantum states with the help of the Wigner phase space distribution function. His description of waves ala WKB connects semi-classical phase space with the Berry phase. These semi-classical techniques provide deeper insight into the timely topics of wave packet dynamics, fractional revivals and the Talbot effect. Whereas the first half of the book deals with mechanical oscillators such as ions in a trap or atoms in a standing wave the second half addresses problems where the quantization of the radiation field is of importance. Such topics extensively discussed include optical interferometry, the atom-field interaction, quantum state preparation and measurement, entanglement, decoherence, the one-atom maser and atom optics in quantized light fields. Quantum Optics in Phase Space presents the subject of quantum optics as transparently as possible. Giving wide-ranging references, it enables students to study and solve problems with modern scientific literature. The result is a remarkably concise yet comprehensive and accessible text- and reference book - an inspiring source of information and insight for students, teachers and researchers alike.

Dynamical quantum phase transitions: a review

NASA Astrophysics Data System (ADS)

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Dynamical quantum phase transitions: a review.

PubMed

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Intermolecular Interactions of Pyridine in Liquid Phase and Aqueous Solution Studied by Soft X-ray Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Nagasaka, Masanari; Yuzawa, Hayato; Kosugi, Nobuhiro

2018-05-01

Intermolecular interactions of pyridine in liquid and in aqueous solution are studied by using soft X-ray absorption spectroscopy (XAS) at the C, N, and O K-edges. XAS of liquid pyridine shows that the N 1s→π* peak is blue shifted and the C 1s→π* peak of the meta and para sites is red shifted, respectively, as compared with XAS of pyridine gas. These shifts in liquid are smaller than those in clusters, indicating that the intermolecular interaction of liquid pyridine is weaker than that of pyridine cluster, as supported by the combination of quantum chemical calculations of the core excitation and molecular dynamics simulations of the liquid structure. On the other hand, XAS spectra of aqueous pyridine solutions (C5H5N)x(H2O)1-x measured at different molar fractions show that in the pyridine rich region, x>0.7, the C and N 1s→π* peak energies are not so different from pure liquid pyridine (x=1.0). In this region, antiparallel displaced structures of pyridine molecules are dominant as in pure pyridine liquid. In the O K-edge XAS, the pre-edge peaks sensitive to the hydrogen bond (HB) network of water molecules show the red shift of -0.15 eV from that of bulk water, indicating that small water clusters with no large-scale HB network are formed in the gap space of structured pyridine molecules. In the water rich region, 0.7>x, the N 1s→π* peaks and the O 1s pre-edge peaks are blue shifted, and the C 1s→π* peaks of the meta and para sites are red-shifted by increasing molar fraction of water. The HB network of bulk water is dominant, but quantum chemical calculations indicate that small pyridine clusters with the HB interaction between the H atom in water and the N atom in pyridine are still existent even in very dilute pyridine solutions.

Quantum phase transition with dissipative frustration

NASA Astrophysics Data System (ADS)

Maile, D.; Andergassen, S.; Belzig, W.; Rastelli, G.

2018-04-01

We study the quantum phase transition of the one-dimensional phase model in the presence of dissipative frustration, provided by an interaction of the system with the environment through two noncommuting operators. Such a model can be realized in Josephson junction chains with shunt resistances and resistances between the chain and the ground. Using a self-consistent harmonic approximation, we determine the phase diagram at zero temperature which exhibits a quantum phase transition between an ordered phase, corresponding to the superconducting state, and a disordered phase, corresponding to the insulating state with localized superconducting charge. Interestingly, we find that the critical line separating the two phases has a nonmonotonic behavior as a function of the dissipative coupling strength. This result is a consequence of the frustration between (i) one dissipative coupling that quenches the quantum phase fluctuations favoring the ordered phase and (ii) one that quenches the quantum momentum (charge) fluctuations leading to a vanishing phase coherence. Moreover, within the self-consistent harmonic approximation, we analyze the dissipation induced crossover between a first and second order phase transition, showing that quantum frustration increases the range in which the phase transition is second order. The nonmonotonic behavior is reflected also in the purity of the system that quantifies the degree of correlation between the system and the environment, and in the logarithmic negativity as an entanglement measure that encodes the internal quantum correlations in the chain.

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

Wang, Peng; State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012; Bai, Xue, E-mail: baix@jlu.edu.cn, E-mail: yuzhang@jlu.edu.cn

High quantum yield, narrow full width at half-maximum and tunable emission color of perovskite quantum dots (QDs) make this kind of material good prospects for light-emitting diodes (LEDs). However, the relatively poor stability under high temperature and air condition limits the device performance. To overcome this issue, the liquid-type packaging structure in combination with blue LED chip was employed to fabricate the fluorescent perovskite quantum dot-based LEDs. A variety of monochromatic LEDs with green, yellow, reddish-orange, and red emission were fabricated by utilizing the inorganic cesium lead halide perovskite quantum dots as the color-conversion layer, which exhibited the narrow fullmore » width at half-maximum (<35 nm), the relatively high luminous efficiency (reaching 75.5 lm/W), and the relatively high external quantum efficiency (14.6%), making it the best-performing perovskite LEDs so far. Compared to the solid state LED device, the liquid-type LED devices exhibited excellent color stability against the various working currents. Furthermore, we demonstrated the potential prospects of all-inorganic perovskite QDs for the liquid-type warm white LEDs.« less

Quantum Evaporation from Liquid 4He by Rotons

NASA Astrophysics Data System (ADS)

Hope, F. R.; Baird, M. J.; Wyatt, A. F. G.

1984-04-01

We have shown that rotons as well as phonons can evaporate 4He atoms in a single-quantum process. Measurements of the time of flight and the angular distribution of the evaporated atoms clearly distinguish between evaporation by phonons and rotons. The results indicate that energy and the parallel component of momentum are conserved at the free liquid surface.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations.

PubMed

Morales, Miguel A; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D M

2010-07-20

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics.

Integrability and nonintegrability of quantum systems. II. Dynamics in quantum phase space

NASA Astrophysics Data System (ADS)

Zhang, Wei-Min; Feng, Da Hsuan; Yuan, Jian-Min

1990-12-01

Based on the concepts of integrability and nonintegrability of a quantum system presented in a previous paper [Zhang, Feng, Yuan, and Wang, Phys. Rev. A 40, 438 (1989)], a realization of the dynamics in the quantum phase space is now presented. For a quantum system with dynamical group scrG and in one of its unitary irreducible-representation carrier spaces gerhΛ, the quantum phase space is a 2MΛ-dimensional topological space, where MΛ is the quantum-dynamical degrees of freedom. This quantum phase space is isomorphic to a coset space scrG/scrH via the unitary exponential mapping of the elementary excitation operator subspace of scrg (algebra of scrG), where scrH (⊂scrG) is the maximal stability subgroup of a fixed state in gerhΛ. The phase-space representation of the system is realized on scrG/scrH, and its classical analogy can be obtained naturally. It is also shown that there is consistency between quantum and classical integrability. Finally, a general algorithm for seeking the manifestation of ``quantum chaos'' via the classical analogy is provided. Illustrations of this formulation in several important quantum systems are presented.

Structure of cyano-anion ionic liquids: X-ray scattering and simulations

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

Dhungana, Kamal B.; Faria, Luiz F. O.; Wu, Boning

2016-07-14

Ionic liquids with cyano anions have long been used because of their unique combination of low-melting temperatures, reduced viscosities, and increased conductivities. Recently we have shown that cyano anions in ionic liquids are particularly interesting for their potential use as electron donors to excited state photo-acceptors [B. Wu et al., J. Phys. Chem. B 119, 14790–14799 (2015)]. Here we report on bulk structural and quantum mechanical results for a series of ionic liquids based on the 1-ethyl-3-methylimidazolium cation, paired with the following five cyano anions: SeCN-, SCN-, N(CN)-2N(CN)2-, C(CN)-3C(CN)3-, and B(CN)-4B(CN)4-. By combining molecular dynamics simulations, high-energy X-ray scattering measurements,more » and periodic boundary condition DFT calculations, we are able to obtain a comprehensive description of the liquid landscape as well as the nature of the HOMO-LUMO states for these ionic liquids in the condensed phase. Features in the structure functions for these ionic liquids are somewhat different than the commonly observed adjacency, charge-charge, and polarity peaks, especially for the bulkiest B(CN)-4B(CN)4- anion. While the other four cyano-anion ionic liquids present an anionic HOMO, the one for Im+2,1Im2,1+/B(CN)-4B(CN)4- is cationic.« less

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

Senesi, Roberto; Flammini, Davide; Kolesnikov, Alexander I.

The OH stretching vibrational spectrum of water was measured in a wide range of temperatures across the triple point, 269 K < T < 296 K, using Inelastic Neutron Scattering (INS). The hydrogen projected density of states and the proton mean kinetic energy, _OH, were determined for the first time within the framework of a harmonic description of the proton dynamics. We found that in the liquid the value of _OH is nearly constant as a function of T, indicating that quantum effects on the OH stretching frequency are weakly dependent on temperature. In the case of ice, ab initiomore » electronic structure calculations, using non-local van der Waals functionals, provided _OH values in agreement with INS experiments. We also found that the ratio of the stretching (_OH) to the total (_exp) kinetic energy, obtained from the present measurements, increases in going from ice, where hydrogen bonding is the strongest, to the liquid at ambient conditions and then to the vapour phase, where hydrogen bonding is the weakest. The same ratio was also derived from the combination of previous deep inelastic neutron scattering data, which does not rely upon the harmonic approximation, and the present measurements. We found that the ratio of stretching to the total kinetic energy shows a minimum in the metastable liquid phase. This finding suggests that the strength of intermolecular interactions increases in the supercooled phase, with respect to that in ice, contrary to the accepted view that supercooled water exhibits weaker hydrogen bonding than ice.« less

The phonon theory of liquid thermodynamics

PubMed Central

Bolmatov, D.; Brazhkin, V. V.; Trachenko, K.

2012-01-01

Heat capacity of matter is considered to be its most important property because it holds information about system's degrees of freedom as well as the regime in which the system operates, classical or quantum. Heat capacity is well understood in gases and solids but not in the third main state of matter, liquids, and is not discussed in physics textbooks as a result. The perceived difficulty is that interactions in a liquid are both strong and system-specific, implying that the energy strongly depends on the liquid type and that, therefore, liquid energy can not be calculated in general form. Here, we develop a phonon theory of liquids where this problem is avoided. The theory covers both classical and quantum regimes. We demonstrate good agreement of calculated and experimental heat capacity of 21 liquids, including noble, metallic, molecular and hydrogen-bonded network liquids in a wide range of temperature and pressure. PMID:22639729

Wigner flow reveals topological order in quantum phase space dynamics.

PubMed

Steuernagel, Ole; Kakofengitis, Dimitris; Ritter, Georg

2013-01-18

The behavior of classical mechanical systems is characterized by their phase portraits, the collections of their trajectories. Heisenberg's uncertainty principle precludes the existence of sharply defined trajectories, which is why traditionally only the time evolution of wave functions is studied in quantum dynamics. These studies are quite insensitive to the underlying structure of quantum phase space dynamics. We identify the flow that is the quantum analog of classical particle flow along phase portrait lines. It reveals hidden features of quantum dynamics and extra complexity. Being constrained by conserved flow winding numbers, it also reveals fundamental topological order in quantum dynamics that has so far gone unnoticed.

Multipartite entanglement characterization of a quantum phase transition

NASA Astrophysics Data System (ADS)

Costantini, G.; Facchi, P.; Florio, G.; Pascazio, S.

2007-07-01

A probability density characterization of multipartite entanglement is tested on the one-dimensional quantum Ising model in a transverse field. The average and second moment of the probability distribution are numerically shown to be good indicators of the quantum phase transition. We comment on multipartite entanglement generation at a quantum phase transition.

Aharonov–Anandan quantum phases and Landau quantization associated with a magnetic quadrupole moment

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

Fonseca, I.C.; Bakke, K., E-mail: kbakke@fisica.ufpb.br

The arising of geometric quantum phases in the wave function of a moving particle possessing a magnetic quadrupole moment is investigated. It is shown that an Aharonov–Anandan quantum phase (Aharonov and Anandan, 1987) can be obtained in the quantum dynamics of a moving particle with a magnetic quadrupole moment. In particular, it is obtained as an analogue of the scalar Aharonov–Bohm effect for a neutral particle (Anandan, 1989). Besides, by confining the quantum particle to a hard-wall confining potential, the dependence of the energy levels on the geometric quantum phase is discussed and, as a consequence, persistent currents can arisemore » from this dependence. Finally, an analogue of the Landau quantization is discussed. -- Highlights: •Scalar Aharonov–Bohm effect for a particle possessing a magnetic quadrupole moment. •Aharonov–Anandan quantum phase for a particle with a magnetic quadrupole moment. •Dependence of the energy levels on the Aharonov–Anandan quantum phase. •Landau quantization associated with a particle possessing a magnetic quadrupole moment.« less

Raman spectroscopic and theoretical study of liquid and solid water within the spectral region 1600-2300 cm-1

NASA Astrophysics Data System (ADS)

Kozlovskaya, E. N.; Pitsevich, G. A.; Malevich, A. E.; Doroshenko, O. P.; Pogorelov, V. E.; Doroshenko, I. Yu.; Balevicius, V.; Sablinskas, V.; Kamnev, A. A.

2018-05-01

Raman spectra of liquid water and ice were measured at different temperatures. The intensity of the band assigned to bending vibrations of water molecules was observed to decrease at the liquid-to-solid transition, while the Raman line near 2200 cm-1 showed an anomalously high intensity in the solid phase. A tetrahedral model was used for computer analysis of the observed spectral changes. Quantum-chemical calculations of the structure, normal vibrations and Raman spectra in the harmonic approximation, as well as frequencies and intensities of some vibrations using 1D and 2D potential energy surfaces, were carried out using B3LYP with the cc-pVTZ basis set. The influence of the number of hydrogen bonds on the frequency and Raman activity of the bending vibrations was analyzed. The possibility of hydrogen bond weakening upon excitation of the combined bending-rocking vibration due to the large amplitude of this vibration is considered.

Nonlinear Network Description for Many-Body Quantum Systems in Continuous Space

NASA Astrophysics Data System (ADS)

Ruggeri, Michele; Moroni, Saverio; Holzmann, Markus

2018-05-01

We show that the recently introduced iterative backflow wave function can be interpreted as a general neural network in continuum space with nonlinear functions in the hidden units. Using this wave function in variational Monte Carlo simulations of liquid 4He in two and three dimensions, we typically find a tenfold increase in accuracy over currently used wave functions. Furthermore, subsequent stages of the iteration procedure define a set of increasingly good wave functions, each with its own variational energy and variance of the local energy: extrapolation to zero variance gives energies in close agreement with the exact values. For two dimensional 4He, we also show that the iterative backflow wave function can describe both the liquid and the solid phase with the same functional form—a feature shared with the shadow wave function, but now joined by much higher accuracy. We also achieve significant progress for liquid 3He in three dimensions, improving previous variational and fixed-node energies.

Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.

PubMed

Horn, Hans W; Swope, William C; Pitera, Jed W

2005-11-15

The liquid-vapor-phase equilibrium properties of the previously developed TIP4P-Ew water model have been studied using thermodynamic integration free-energy simulation techniques in the temperature range of 274-400 K. We stress that free-energy results from simulations need to be corrected in order to be compared to the experiment. This is due to the fact that the thermodynamic end states accessible through simulations correspond to fictitious substances (classical rigid liquids and classical rigid ideal gases) while experiments operate on real substances (liquids and real gases, with quantum effects). After applying analytical corrections the vapor pressure curve obtained from simulated free-energy changes is in excellent agreement with the experimental vapor pressure curve. The boiling point of TIP4P-Ew water under ambient pressure is found to be at 370.3+/-1.9 K, about 7 K higher than the boiling point of TIP4P water (363.7+/-5.1 K; from simulations that employ finite range treatment of electrostatic and Lennard-Jones interactions). This is in contrast to the approximately +15 K by which the temperature of the density maximum and the melting temperature of TIP4P-Ew are shifted relative to TIP4P, indicating that the temperature range over which the liquid phase of TIP4P-Ew is stable is narrower than that of TIP4P and resembles more that of real water. The quality of the vapor pressure results highlights the success of TIP4P-Ew in describing the energetic and entropic aspects of intermolecular interactions in liquid water.

Quantum robots and environments

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

Benioff, P.

1998-08-01

Quantum robots and their interactions with environments of quantum systems are described, and their study justified. A quantum robot is a mobile quantum system that includes an on-board quantum computer and needed ancillary systems. Quantum robots carry out tasks whose goals include specified changes in the state of the environment, or carrying out measurements on the environment. Each task is a sequence of alternating computation and action phases. Computation phase activites include determination of the action to be carried out in the next phase, and recording of information on neighborhood environmental system states. Action phase activities include motion of themore » quantum robot and changes in the neighborhood environment system states. Models of quantum robots and their interactions with environments are described using discrete space and time. A unitary step operator T that gives the single time step dynamics is associated with each task. T=T{sub a}+T{sub c} is a sum of action phase and computation phase step operators. Conditions that T{sub a} and T{sub c} should satisfy are given along with a description of the evolution as a sum over paths of completed phase input and output states. A simple example of a task{emdash}carrying out a measurement on a very simple environment{emdash}is analyzed in detail. A decision tree for the task is presented and discussed in terms of the sums over phase paths. It is seen that no definite times or durations are associated with the phase steps in the tree, and that the tree describes the successive phase steps in each path in the sum over phase paths. {copyright} {ital 1998} {ital The American Physical Society}« less

Solid-phase diffusion mechanism for GaAs nanowire growth.

PubMed

Persson, Ann I; Larsson, Magnus W; Stenström, Stig; Ohlsson, B Jonas; Samuelson, Lars; Wallenberg, L Reine

2004-10-01

Controllable production of nanometre-sized structures is an important field of research, and synthesis of one-dimensional objects, such as nanowires, is a rapidly expanding area with numerous applications, for example, in electronics, photonics, biology and medicine. Nanoscale electronic devices created inside nanowires, such as p-n junctions, were reported ten years ago. More recently, hetero-structure devices with clear quantum-mechanical behaviour have been reported, for example the double-barrier resonant tunnelling diode and the single-electron transistor. The generally accepted theory of semiconductor nanowire growth is the vapour-liquid-solid (VLS) growth mechanism, based on growth from a liquid metal seed particle. In this letter we suggest the existence of a growth regime quite different from VLS. We show that this new growth regime is based on a solid-phase diffusion mechanism of a single component through a gold seed particle, as shown by in situ heating experiments of GaAs nanowires in a transmission electron microscope, and supported by highly resolved chemical analysis and finite element calculations of the mass transport and composition profiles.

Tunable-Range, Photon-Mediated Atomic Interactions in Multimode Cavity QED

NASA Astrophysics Data System (ADS)

Vaidya, Varun D.; Guo, Yudan; Kroeze, Ronen M.; Ballantine, Kyle E.; Kollár, Alicia J.; Keeling, Jonathan; Lev, Benjamin L.

2018-01-01

Optical cavity QED provides a platform with which to explore quantum many-body physics in driven-dissipative systems. Single-mode cavities provide strong, infinite-range photon-mediated interactions among intracavity atoms. However, these global all-to-all couplings are limiting from the perspective of exploring quantum many-body physics beyond the mean-field approximation. The present work demonstrates that local couplings can be created using multimode cavity QED. This is established through measurements of the threshold of a superradiant, self-organization phase transition versus atomic position. Specifically, we experimentally show that the interference of near-degenerate cavity modes leads to both a strong and tunable-range interaction between Bose-Einstein condensates (BECs) trapped within the cavity. We exploit the symmetry of a confocal cavity to measure the interaction between real BECs and their virtual images without unwanted contributions arising from the merger of real BECs. Atom-atom coupling may be tuned from short range to long range. This capability paves the way toward future explorations of exotic, strongly correlated systems such as quantum liquid crystals and driven-dissipative spin glasses.

Dynamical quantum phase transitions in discrete time crystals

NASA Astrophysics Data System (ADS)

Kosior, Arkadiusz; Sacha, Krzysztof

2018-05-01

Discrete time crystals are related to nonequilibrium dynamics of periodically driven quantum many-body systems where the discrete time-translation symmetry of the Hamiltonian is spontaneously broken into another discrete symmetry. Recently, the concept of phase transitions has been extended to nonequilibrium dynamics of time-independent systems induced by a quantum quench, i.e., a sudden change of some parameter of the Hamiltonian. There, the return probability of a system to the ground state reveals singularities in time which are dubbed dynamical quantum phase transitions. We show that the quantum quench in a discrete time crystal leads to dynamical quantum phase transitions where the return probability of a periodically driven system to a Floquet eigenstate before the quench reveals singularities in time. It indicates that dynamical quantum phase transitions are not restricted to time-independent systems and can be also observed in systems that are periodically driven. We discuss how the phenomenon can be observed in ultracold atomic gases.

Exploring the quantum critical behaviour in a driven Tavis–Cummings circuit

PubMed Central

Feng, M.; Zhong, Y.P.; Liu, T.; Yan, L.L.; Yang, W.L.; Twamley, J.; Wang, H.

2015-01-01

Quantum phase transitions play an important role in many-body systems and have been a research focus in conventional condensed-matter physics over the past few decades. Artificial atoms, such as superconducting qubits that can be individually manipulated, provide a new paradigm of realising and exploring quantum phase transitions by engineering an on-chip quantum simulator. Here we demonstrate experimentally the quantum critical behaviour in a highly controllable superconducting circuit, consisting of four qubits coupled to a common resonator mode. By off-resonantly driving the system to renormalize the critical spin-field coupling strength, we have observed a four-qubit nonequilibrium quantum phase transition in a dynamical manner; that is, we sweep the critical coupling strength over time and monitor the four-qubit scaled moments for a signature of a structural change of the system's eigenstates. Our observation of the nonequilibrium quantum phase transition, which is in good agreement with the driven Tavis–Cummings theory under decoherence, offers new experimental approaches towards exploring quantum phase transition-related science, such as scaling behaviours, parity breaking and long-range quantum correlations. PMID:25971985

Fractional and hidden magnetic excitations in f-electron metal Yb2Pt2Pb

NASA Astrophysics Data System (ADS)

Zaliznyak, Igor

Quantum states with fractionalized excitations such as spinons in one-dimensional chains are commonly viewed as belonging to the domain of S=1/2 spin systems. However, recent experiments on the quantum antiferromagnet Yb2Pt2Pb, part of a large family of R2T2X (R=rare earth, T=transition metal, X=main group) materials spectacularly disqualify this opinion. The results show that spinons can also emerge in an f-electron system with strong spin-orbit coupling, where magnetism is mainly associated with large and anisotropic orbital moment. Here, the competition of several high-energy interactions Coulomb repulsion, spin-orbit coupling, crystal field, and the peculiar crystal structure, which combines low dimensionality and geometrical frustration, lead to the emergence, at low energy, of an effective spin-1/2, purely quantum Hamiltonian. Consequently, it produces unusual spin-liquid states and fractional excitations enabled by the inherently quantum mechanical nature of the moments. The emergent quantum spins bear the unique birthmark of their unusual origin in that they only lead to measurable longitudinal magnetic fluctuations, while the transverse excitations such as spin waves remain invisible to scattering experiments. Similarlyhidden would be transverse magnetic ordering, although it would have visible excitations. The rich magnetic phase diagram of Yb2Pt2Pb is suggestive of the existence of hidden-order phases, while the recent experiments indeed reveal the dark magnon, a hidden excitation in the saturated ferromagnetic (FM) phase of Yb2Pt2Pb. Unlike copper-based spin-1/2 chains, where the magnon in the FM state accounts for the full spectral weight of the zero-field spinon continuum, in the spin-orbital chains in Yb2Pt2Pb it is 100 times, or more weaker. It thus presents an example of dark magnon matter\\x9D, whose Hamiltonian is that of the effective spin-1/2 chain, but whose coupling to magnetic field, the physical probe at our disposal, is vanishingly small. The work was supported by the Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-SC00112704, and by by NSF-DMR-1310008.

Deformed quantum double realization of the toric code and beyond

NASA Astrophysics Data System (ADS)

Padmanabhan, Pramod; Ibieta-Jimenez, Juan Pablo; Bernabe Ferreira, Miguel Jorge; Teotonio-Sobrinho, Paulo

2016-09-01

Quantum double models, such as the toric code, can be constructed from transfer matrices of lattice gauge theories with discrete gauge groups and parametrized by the center of the gauge group algebra and its dual. For general choices of these parameters the transfer matrix contains operators acting on links which can also be thought of as perturbations to the quantum double model driving it out of its topological phase and destroying the exact solvability of the quantum double model. We modify these transfer matrices with perturbations and extract exactly solvable models which remain in a quantum phase, thus nullifying the effect of the perturbation. The algebra of the modified vertex and plaquette operators now obey a deformed version of the quantum double algebra. The Abelian cases are shown to be in the quantum double phase whereas the non-Abelian phases are shown to be in a modified phase of the corresponding quantum double phase. These are illustrated with the groups Zn and S3. The quantum phases are determined by studying the excitations of these systems namely their fusion rules and the statistics. We then go further to construct a transfer matrix which contains the other Z2 phase namely the double semion phase. More generally for other discrete groups these transfer matrices contain the twisted quantum double models. These transfer matrices can be thought of as being obtained by introducing extra parameters into the transfer matrix of lattice gauge theories. These parameters are central elements belonging to the tensor products of the algebra and its dual and are associated to vertices and volumes of the three dimensional lattice. As in the case of the lattice gauge theories we construct the operators creating the excitations in this case and study their braiding and fusion properties.

A centroid molecular dynamics study of liquid para-hydrogen and ortho-deuterium.

PubMed

Hone, Tyler D; Voth, Gregory A

2004-10-01

Centroid molecular dynamics (CMD) is applied to the study of collective and single-particle dynamics in liquid para-hydrogen at two state points and liquid ortho-deuterium at one state point. The CMD results are compared with the results of classical molecular dynamics, quantum mode coupling theory, a maximum entropy analytic continuation approach, pair-product forward- backward semiclassical dynamics, and available experimental results. The self-diffusion constants are in excellent agreement with the experimental measurements for all systems studied. Furthermore, it is shown that the method is able to adequately describe both the single-particle and collective dynamics of quantum liquids. (c) 2004 American Institute of Physics

Instability of Insulators near Quantum Phase Transitions

NASA Astrophysics Data System (ADS)

Doron, A.; Tamir, I.; Levinson, T.; Ovadia, M.; Sacépé, B.; Shahar, D.

2017-12-01

Thin films of amorphous indium oxide undergo a magnetic field driven superconducting to insulator quantum phase transition. In the insulating phase, the current-voltage characteristics show large current discontinuities due to overheating of electrons. We show that the onset voltage for the discontinuities vanishes as we approach the quantum critical point. As a result, the insulating phase becomes unstable with respect to any applied voltage making it, at least experimentally, immeasurable. We emphasize that unlike previous reports of the absence of linear response near quantum phase transitions, in our system, the departure from equilibrium is discontinuous. Because the conditions for these discontinuities are satisfied in most insulators at low temperatures, and due to the decay of all characteristic energy scales near quantum phase transitions, we believe that this instability is general and should occur in various systems while approaching their quantum critical point. Accounting for this instability is crucial for determining the critical behavior of systems near the transition.

Material Phase Causality or a Dynamics-Statistical Interpretation of Quantum Mechanics

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

Koprinkov, I. G.

2010-11-25

The internal phase dynamics of a quantum system interacting with an electromagnetic field is revealed in details. Theoretical and experimental evidences of a causal relation of the phase of the wave function to the dynamics of the quantum system are presented sistematically for the first time. A dynamics-statistical interpretation of the quantum mechanics is introduced.

Quantum Phase Transitions in Conventional Matrix Product Systems

NASA Astrophysics Data System (ADS)

Zhu, Jing-Min; Huang, Fei; Chang, Yan

2017-02-01

For matrix product states(MPSs) of one-dimensional spin-1/2 chains, we investigate a new kind of conventional quantum phase transition(QPT). We find that the system has two different ferromagnetic phases; on the line of the two ferromagnetic phases coexisting equally, the system in the thermodynamic limit is in an isolated mediate-coupling state described by a paramagnetic state and is in the same state as the renormalization group fixed point state, the expectation values of the physical quantities are discontinuous, and any two spin blocks of the system have the same geometry quantum discord(GQD) within the range of open interval (0,0.25) and the same classical correlation(CC) within the range of open interval (0,0.75) compared to any phase having no any kind of correlation. We not only realize the control of QPTs but also realize the control of quantum correlation of quantum many-body systems on the critical line by adjusting the environment parameters, which may have potential application in quantum information fields and is helpful to comprehensively and deeply understand the quantum correlation, and the organization and structure of quantum correlation especially for long-range quantum correlation of quantum many-body systems.

Band and Correlated Insulators of Cold Fermions in a Mesoscopic Lattice

NASA Astrophysics Data System (ADS)

Lebrat, Martin; Grišins, Pjotrs; Husmann, Dominik; Häusler, Samuel; Corman, Laura; Giamarchi, Thierry; Brantut, Jean-Philippe; Esslinger, Tilman

2018-01-01

We investigate the transport properties of neutral, fermionic atoms passing through a one-dimensional quantum wire containing a mesoscopic lattice. The lattice is realized by projecting individually controlled, thin optical barriers on top of a ballistic conductor. Building an increasingly longer lattice, one site after another, we observe and characterize the emergence of a band insulating phase, demonstrating control over quantum-coherent transport. We explore the influence of atom-atom interactions and show that the insulating state persists as contact interactions are tuned from moderately to strongly attractive. Using bosonization and classical Monte Carlo simulations, we analyze such a model of interacting fermions and find good qualitative agreement with the data. The robustness of the insulating state supports the existence of a Luther-Emery liquid in the one-dimensional wire. Our work realizes a tunable, site-controlled lattice Fermi gas strongly coupled to reservoirs, which is an ideal test bed for nonequilibrium many-body physics.

The many facets of the (non-relativistic) Nuclear Equation of State

NASA Astrophysics Data System (ADS)

Giuliani, G.; Zheng, H.; Bonasera, A.

2014-05-01

A nucleus is a quantum many body system made of strongly interacting Fermions, protons and neutrons (nucleons). This produces a rich Nuclear Equation of State whose knowledge is crucial to our understanding of the composition and evolution of celestial objects. The nuclear equation of state displays many different features; first neutrons and protons might be treated as identical particles or nucleons, but when the differences between protons and neutrons are spelled out, we can have completely different scenarios, just by changing slightly their interactions. At zero temperature and for neutron rich matter, a quantum liquid-gas phase transition at low densities or a quark-gluon plasma at high densities might occur. Furthermore, the large binding energy of the α particle, a Boson, might also open the possibility of studying a system made of a mixture of Bosons and Fermions, which adds to the open problems of the nuclear equation of state.

The eigenstate thermalization hypothesis in constrained Hilbert spaces: A case study in non-Abelian anyon chains

NASA Astrophysics Data System (ADS)

Chandran, A.; Schulz, Marc D.; Burnell, F. J.

2016-12-01

Many phases of matter, including superconductors, fractional quantum Hall fluids, and spin liquids, are described by gauge theories with constrained Hilbert spaces. However, thermalization and the applicability of quantum statistical mechanics has primarily been studied in unconstrained Hilbert spaces. In this paper, we investigate whether constrained Hilbert spaces permit local thermalization. Specifically, we explore whether the eigenstate thermalization hypothesis (ETH) holds in a pinned Fibonacci anyon chain, which serves as a representative case study. We first establish that the constrained Hilbert space admits a notion of locality by showing that the influence of a measurement decays exponentially in space. This suggests that the constraints are no impediment to thermalization. We then provide numerical evidence that ETH holds for the diagonal and off-diagonal matrix elements of various local observables in a generic disorder-free nonintegrable model. We also find that certain nonlocal observables obey ETH.

Particle-hole symmetry and composite fermions in fractional quantum Hall states

NASA Astrophysics Data System (ADS)

Nguyen, Dung Xuan; Golkar, Siavash; Roberts, Matthew M.; Son, Dam Thanh

2018-05-01

We study fractional quantum Hall states at filling fractions in the Jain sequences using the framework of composite Dirac fermions. Synthesizing previous work, we write an effective field theory consistent with all symmetry requirements, including Galilean invariance and particle-hole symmetry. Employing a Fermi-liquid description, we demonstrate the appearance of the Girvin-Macdonald-Platzman algebra and compute the dispersion relation of neutral excitations and various response functions. Our results satisfy requirements of particle-hole symmetry. We show that while the dispersion relation obtained from the modified random-phase approximation (MRPA) of the Halperin-Lee-Read (HLR) theory is particle-hole symmetric, correlation functions obtained from this scheme are not. The results of the Dirac theory are shown to be consistent with the Haldane bound on the projected structure factor, while those of the MPRA of the HLR theory violate it.

Ultralow threshold graded-index separate-confinement heterostructure single quantum well (Al, Ga) As lasers

NASA Technical Reports Server (NTRS)

Derry, P. L.; Chen, H. Z.; Morkoc, H.; Yariv, A.; Lau, K. Y.

1988-01-01

Broad area graded-index separate-confinement heterostructure single quantum well lasers grown by molecular-beam epitaxy (MBE) with threshold current density as low as 93 A/sq cm (520 microns long) have been fabricated. Buried lasers formed from similarly structured MBE material with liquid phase epitaxy regrowth had threshold currents at submilliampere levels when high reflectivity coatings were applied to the end facets. A CW threshold current of 0.55 mA was obtained for a laser with facet reflectivities of about 80 percent, a cavity length of 120 micron, and an active region stripe width of 1 micron. These devices driven directly with logic level signals have switch-on delays less than 50 ps without any current prebias. Such lasers permit fully on-off switching while at the same time obviating the need for bias monitoring and feedback control.

A Kinetic Study of DDGS Hemicellulose Acid Hydrolysis and NMR Characterization of DDGS Hydrolysate.

PubMed

Chen, Hanchi; Liu, Shijie

2015-09-01

Liquid hot water (LHW) extraction was used as a pretreatment method to separate the hemicellulose fraction from dried distiller's grain with solubles (DDGS) into liquid phase. Acid hydrolysis using 3.264 % w/w sulfuric acid at 130 °C was performed to convert polysaccharides in LHW extract to monosaccharides. The structure characterization of DDGS in anomeric carbon region based on proton NMR and heteronuclear single quantum coherence (HSQC) during acid hydrolysis was studied in this work. It reveals that the sugar units in DDGS hemicelluloses are constructed with (1-4)-β-D-xylopyranose and α-L-arabinofuranosyl residues. A kinetic model is included to explain the changing concentration of monomer, oligomer, and sugar units. The model was further tested based on the changing concentration of five carbon sugar units during hydrolysis.

Accuracy of topological entanglement entropy on finite cylinders.

PubMed

Jiang, Hong-Chen; Singh, Rajiv R P; Balents, Leon

2013-09-06

Topological phases are unique states of matter which support nonlocal excitations which behave as particles with fractional statistics. A universal characterization of gapped topological phases is provided by the topological entanglement entropy (TEE). We study the finite size corrections to the TEE by focusing on systems with a Z2 topological ordered state using density-matrix renormalization group and perturbative series expansions. We find that extrapolations of the TEE based on the Renyi entropies with a Renyi index of n≥2 suffer from much larger finite size corrections than do extrapolations based on the von Neumann entropy. In particular, when the circumference of the cylinder is about ten times the correlation length, the TEE obtained using von Neumann entropy has an error of order 10(-3), while for Renyi entropies it can even exceed 40%. We discuss the relevance of these findings to previous and future searches for topological ordered phases, including quantum spin liquids.

Preparation and characterization of six calixarene bonded stationary phases for high performance liquid chromatography.

PubMed

Ding, Chenghua; Qu, Kang; Li, Yongbo; Hu, Kai; Liu, Hongxia; Ye, Baoxian; Wu, Yangjie; Zhang, Shusheng

2007-11-02

Six calixarene bonded silica gel stationary phases were prepared and characterized by elemental analysis, infrared spectroscopy and thermal analysis. Their chromatographic performance was investigated by using PAHs, aromatic positional isomers and E- and Z-ethyl 3-(4-acetylphenyl) acrylate isomers as probes. Separation mechanism based on the different interactions between calixarenes and analytes were discussed. The chromatographic behaviors of those analytes on the calixarene columns were influenced by the supramolecular interaction including pi-pi interaction, space steric hindrance and hydrogen bonding interaction between calixarenes and analytes. Notably, the presence of polar groups (-OH, -NO(2) and -NH(2)) in the aromatic isomers could improve their separation selectivity on calixarene phase columns. The results from quantum chemistry calculation using DFT-B3LYP/STO-3G* base group were consistent with the retention behaviors of PHAs on calix[4]arene column.

Frustrated spin one on a diamond lattice in NiRh2O4

NASA Astrophysics Data System (ADS)

Chamorro, J. R.; Ge, L.; Flynn, J.; Subramanian, M. A.; Mourigal, M.; McQueen, T. M.

2018-03-01

We report the discovery of a spin one diamond lattice in NiRh2O4 . This spinel undergoes a cubic to tetragonal phase transition at T =440 K that leaves all nearest neighbor interactions equivalent. In the tetragonal phase, magnetization measurements show a Ni2 + effective moment of peff=3.3 (1 ) and dominant antiferromagnetic interactions with ΘCW=-11.3 (7 ) K. No phase transition to a long-range magnetically ordered state is observed by specific heat measurements down to T =0.1 K. Inelastic neutron scattering measurements on substoichiometric NiRh2O4 reveal possible valence-bond behavior and show no visible signs of magnetic ordering. NiRh2O4 provides a platform on which to explore the previously unknown and potentially rich physics of spin one interacting on the diamond lattice, including the realization of theoretically predicted quantum spin liquid and topological paramagnet states.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations

PubMed Central

Morales, Miguel A.; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D. M.

2010-01-01

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics. PMID:20566888

Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes

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

Gun’ko, Vladimir M.; Sir Harry Ricardo Laboratories, School of Computing, Engineering and Mathematics, University of Brighton, Cockcroft Building, Lewes Road, Brighton BN2 4GJ; Nasiri, Rasoul

2015-01-21

The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy ofmore » solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/T{sub c} < 0.8) or slightly larger (at T/T{sub c} > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.« less

Nonadiabatic quantum path analysis of high-order harmonic generation: Role of the carrier-envelope phase on short and long paths

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

Sansone, G.; Stagira, S.; Nisoli, M.

2004-07-01

High-order harmonic generation process in the few- and multiple-optical-cycle regime is theoretically investigated, using the saddle-point method generalized to account for nonadiabatic effects. The influence of the carrier-envelope phase of the driving pulses on the various electron quantum paths is analyzed. We demonstrate that the short and long quantum paths are influenced in different ways by the carrier-envelope phase. In particular, we show that clear phase effects are visible on the long quantum paths even in the multiple-optical-cycle regime, while the short quantum paths are significantly influenced by the carrier-envelope phase only in the few-optical-cycle regime.

Dynamics of photogenerated carriers near magnetic field driven quantum phase transition in aperiodic multiple quantum wells

NASA Astrophysics Data System (ADS)

Tito, M. A.; Pusep, Yu A.

2018-01-01

Time-resolved magneto-photoluminescence was employed to study the magnetic field induced quantum phase transition separating two phases with different distributions of electrons over quantum wells in an aperiodic multiple quantum well, embedded in a wide AlGaAs parabolic quantum well. Intensities, broadenings and recombination times attributed to the photoluminescence lines emitted from individual quantum wells of the multiple quantum well structure were measured as a function of the magnetic field near the transition. The presented data manifest themselves to the magnetic field driven migration of the free electrons between the quantum wells of the studied multiple quantum well structure. The observed charge transfer was found to influence the screening of the multiple quantum well and disorder potentials. Evidence of the localization of the electrons in the peripheral quantum wells in strong magnetic field is presented.

Resonant pair tunneling in double quantum dots.

PubMed

Sela, Eran; Affleck, Ian

2009-08-21

We present exact results on the nonequilibrium current fluctuations for 2 quantum dots in series throughout a crossover from non-Fermi liquid to Fermi liquid behavior described by the 2 impurity Kondo model. The result corresponds to resonant tunneling of carriers of charge 2e for a critical interimpurity coupling. At low energy scales, the result can be understood from a Fermi liquid approach that we develop and use to also study nonequilibrium transport in an alternative double dot realization of the 2 impurity Kondo model under current experimental study.

On the importance of an accurate representation of the initial state of the system in classical dynamics simulations

NASA Astrophysics Data System (ADS)

García-Vela, A.

2000-05-01

A definition of a quantum-type phase-space distribution is proposed in order to represent the initial state of the system in a classical dynamics simulation. The central idea is to define an initial quantum phase-space state of the system as the direct product of the coordinate and momentum representations of the quantum initial state. The phase-space distribution is then obtained as the square modulus of this phase-space state. The resulting phase-space distribution closely resembles the quantum nature of the system initial state. The initial conditions are sampled with the distribution, using a grid technique in phase space. With this type of sampling the distribution of initial conditions reproduces more faithfully the shape of the original phase-space distribution. The method is applied to generate initial conditions describing the three-dimensional state of the Ar-HCl cluster prepared by ultraviolet excitation. The photodissociation dynamics is simulated by classical trajectories, and the results are compared with those of a wave packet calculation. The classical and quantum descriptions are found in good agreement for those dynamical events less subject to quantum effects. The classical result fails to reproduce the quantum mechanical one for the more strongly quantum features of the dynamics. The properties and applicability of the phase-space distribution and the sampling technique proposed are discussed.

Domain and network aggregation of CdTe quantum rods within Langmuir Blodgett monolayers

NASA Astrophysics Data System (ADS)

Zimnitsky, Dmitry; Xu, Jun; Lin, Zhiqun; Tsukruk, Vladimir V.

2008-05-01

Control over the organization of quantum rods was demonstrated by changing the surface area at the air-liquid interface by means of the Langmuir-Blodgett (LB) technique. The LB isotherm of CdTe quantum rods capped with a mixture of alkylphosphines shows a transition point in the liquid-solid state, which is caused by the inter-rod reorganization. As we observed, at low surface pressure the quantum rods are assembled into round-shaped aggregates composed of a monolayer of nanorods packed in limited-size clusters with random orientation. The increase of the surface pressure leads to the rearrangement of these aggregates into elongated bundles composed of uniformly oriented nanorod clusters. Further compression results in denser packing of nanorods aggregates and in the transformation of monolayered domains into a continuous network of locally ordered quantum rods.

Epitaxial Zn quantum dots coherently grown on Si(1 1 1): growth mechanism, nonlinear optical and chemical states analyses

NASA Astrophysics Data System (ADS)

Huang, Bo-Jia; Kao, Li-Chi; Brahma, Sanjaya; Jeng, Yu-En; Chiu, Shang-Jui; Ku, Ching-Shun; Lo, Kuang-Yao

2017-05-01

Oxide- and defect-free metal/semiconductor interface is important to improve Ohmic contact for the suppression of electron scattering and the avoidance of an extrinsic surface state in estimating the barrier of the Schottky contact at the nanodevice interface. This study reports the growth mechanism of Zn quantum dots coherently grown on Si(1 1 1) and the physical phenomena of the crystalline, nonlinear optics, and the chemical states of Zn quantum dots. Epitaxial Zn quantum dots were coherently formed on a non-oxide Si(1 1 1) surface through the liquid- to solid-phase transformation as a result of pattern matching between the Zn(0 0 2) and Si(1 1 1) surfaces. The growth mechanism of constrained Zn quantum dots grown through strategic magnetron radio frequency sputtering is complex. Some factors, such as substrate temperature, hydrogen gas flow, and negative DC bias, influence the configuration of epitaxial Zn quantum dots. In particular, hydrogen gas plays an important role in reducing the ZnO+ and native oxide that is bombarded by accelerated ions, thereby enhancing the Zn ion surface diffusion. The reduction reaction can be inspected by distinguishing the chemical states of ZnO/Zn quantum dots from natural oxidation or the states of Zn 3d through the analysis of x-ray absorption near the edge structure spectrum. The complex growth mechanism can be systematically understood by analyzing a noncancelled anisotropic 3 m dipole from reflective second harmonic generation and inspecting the evolution between the Zn(0 0 2) and Zn(1 1 1) peaks of the collective ZnO/Zn quantum dots in synchrotron XRD.

Theory of complicated liquids. Investigation of liquids, solvents and solvent effects with modern theoretical methods

NASA Astrophysics Data System (ADS)

Kirchner, Barbara

2007-03-01

It is the aim of this work to elucidate the usefulness and feasibility of the first-principles approach and to extend it to the regime of liquid molecular substances of complex structure. Physical and thermodynamic properties of complicated liquids are investigated by means of Car-Parrinello molecular dynamics (CPMD) and also with static quantum chemical methods. The connection between the dynamic and static approach is given by the quantum cluster equilibrium (QCE) theory. Since the QCE theory is not yet well established, a new implementation in the MD post-processing program P EACEMAKER is presented. It can be shown that it is by far more important to include cooperative effects rather than to concentrate the effort on the inclusion of weak dispersion forces not present in current density functionals. Traditionally, investigations of complicated liquids were also undertaken with the tools of simple liquids, because for some problems the size of the system does not allow for a more accurate description. Although linear-scaling techniques are simplifications from the point of view of quantum chemistry, they might be severe improvements when compared to traditional molecular dynamics simulations. For the interpretation of the liquid state the introduction of local properties is inevitable. New methods are presented for the calculation of local dipole moments and for the estimation of hydrogen bond energies in quantum mechanically nondecomposable systems. The latter also allows for the detection of hydrogen bonds in simulations through a wavefunction-based criterion instead of one which is solely grounded on the geometric structure of the atomic nuclei involved. The article then discusses prominent liquids which show properties that are not yet understood. Another part of the work analyzes the effect of solvent molecules on solutes and their reactions in the solvent. Finaly, neoteric solvents, such as ionic liquids are discussed.

A New Ontological View of the Quantum Measurement Problem

DTIC Science & Technology

2005-06-13

broader issues in the foundations of quantum mechanics as well. In this scenario, a quantum measurement is a nonequilibrium phase transition in a...the foundations of quantum mechan - ics as well. In this scenario a quantum measurement is a non-equilibrium phase transition in a “resonant cavity...ontology, and the probabilistic element is removed from the foundations of quantum mechanics , its apparent presence in the quantum measurement being solely

Imaginary geometric phases of quantum trajectories in high-order terahertz sideband generation

NASA Astrophysics Data System (ADS)

Yang, Fan; Liu, Ren-Bao

2014-03-01

Quantum evolution of particles under strong fields can be described by a small number of quantum trajectories that satisfy the stationary phase condition in the Dirac-Feynmann path integral. The quantum trajectories are the key concept to understand the high-order terahertz siedeband generation (HSG) in semiconductors. Due to the nontrivial ``vacuum'' states of band materials, the quantum trajectories of optically excited electron-hole pairs in semiconductors can accumulate geometric phases under the driving of an elliptically polarized THz field. We find that the geometric phase of the stationary trajectory is generally complex with both real and imaginary parts. In monolayer MoS2, the imaginary parts of the geometric phase leads to a changing of the polarization ellipticity of the sideband. We further show that the imaginary part originates from the quantum interference of many trajectories with different phases. Thus the observation of the polarization ellipticity of the sideband shall be a good indication of the quantum nature of the stationary trajectory. This work is supported by Hong Kong RGC/GRF 401512 and the CUHK Focused Investments Scheme.

Non-Abelian Geometric Phases Carried by the Quantum Noise Matrix

NASA Astrophysics Data System (ADS)

Bharath, H. M.; Boguslawski, Matthew; Barrios, Maryrose; Chapman, Michael

2017-04-01

Topological phases of matter are characterized by topological order parameters that are built using Berry's geometric phase. Berry's phase is the geometric information stored in the overall phase of a quantum state. We show that geometric information is also stored in the second and higher order spin moments of a quantum spin system, captured by a non-abelian geometric phase. The quantum state of a spin-S system is uniquely characterized by its spin moments up to order 2S. The first-order spin moment is the spin vector, and the second-order spin moment represents the spin fluctuation tensor, i.e., the quantum noise matrix. When the spin vector is transported along a loop in the Bloch ball, we show that the quantum noise matrix picks up a geometric phase. Considering spin-1 systems, we formulate this geometric phase as an SO(3) operator. Geometric phases are usually interpreted in terms of the solid angle subtended by the loop at the center. However, solid angles are not well defined for loops that pass through the center. Here, we introduce a generalized solid angle which is well defined for all loops inside the Bloch ball, in terms of which, we interpret the SO(3) geometric phase. This geometric phase can be used to characterize topological spin textures in cold atomic clouds.

Emergent Chiral Spin State in the Mott Phase of a Bosonic Kane-Mele-Hubbard Model

NASA Astrophysics Data System (ADS)

Plekhanov, Kirill; Vasić, Ivana; Petrescu, Alexandru; Nirwan, Rajbir; Roux, Guillaume; Hofstetter, Walter; Le Hur, Karyn

2018-04-01

Recently, the frustrated X Y model for spins 1 /2 on the honeycomb lattice has attracted a lot of attention in relation with the possibility to realize a chiral spin liquid state. This model is relevant to the physics of some quantum magnets. Using the flexibility of ultracold atom setups, we propose an alternative way to realize this model through the Mott regime of the bosonic Kane-Mele-Hubbard model. The phase diagram of this model is derived using bosonic dynamical mean-field theory. Focusing on the Mott phase, we investigate its magnetic properties as a function of frustration. We do find an emergent chiral spin state in the intermediate frustration regime. Using exact diagonalization we study more closely the physics of the effective frustrated X Y model and the properties of the chiral spin state. This gapped phase displays a chiral order, breaking time-reversal and parity symmetry, but is not topologically ordered (the Chern number is zero).

Superconductivity in metal coated graphene

NASA Astrophysics Data System (ADS)

Uchoa, Bruno; Castro Neto, Antonio

2007-03-01

Graphene, a single atomic layer of graphite, is a two dimensional (2D) zero gap insulator with a high electronic mobility between nearest neighbor carbon sites. The unique electronic properties of graphene, from the semi-metallic behavior to the observation of an anomalous quantum Hall effect and a zero field quantized minimum of conductivity derive from the relativistic nature of its quasiparticles. By doping graphene, it behaves in several aspects as a conventional Fermi liquid, where electrons may form Cooper pairs by coupling with a bosonic mode. In this talk, we develop a mean-field phenomenology of superconductivity in a honeycomb lattice. We predict the possibility of two distinct phases, a singlet s-wave phase and a novel p+ip wave phase in the singlet channel. At half filling, the p+ip phase is gapless and superconductivity is a hidden order. We propose a few possible sources of Cooper pairing instability in graphene coated with alkaline and transition metals, and similar low dimensional graphene based devices.

Theoretical and experimental vibrational spectroscopy study on rotational isomer of 4-phenylbutylamine

NASA Astrophysics Data System (ADS)

Ünal, A.; Okur, M.

2017-02-01

The possible four stable rotational isomers of 4-phenylbutylamine (4PBA) molecule were experimentally and theoretically studied by vibrational spectroscopy. The FT-IR (4000-400 cm-1) and Raman (3700-60 cm-1) spectra of 4PBA were recorded at room temperature in liquid phase. The complete vibrational wavenumbers and corresponding vibrational assignments of 4PBA molecule were discussed assisted with B3LYP/6-311++G(d,p) level of theory along with scaled quantum mechanics force field (SQM-FF) method. Results from experimental and theoretical data the most stable form of 4PBA molecule was obtained.

Detuning the honeycomb of α -RuCl3 : Pressure-dependent optical studies reveal broken symmetry

NASA Astrophysics Data System (ADS)

Biesner, Tobias; Biswas, Sananda; Li, Weiwu; Saito, Yohei; Pustogow, Andrej; Altmeyer, Michaela; Wolter, Anja U. B.; Büchner, Bernd; Roslova, Maria; Doert, Thomas; Winter, Stephen M.; Valentí, Roser; Dressel, Martin

2018-06-01

The honeycomb Mott insulator α -RuCl3 loses its low-temperature magnetic order by pressure. We report clear evidence for a dimerized structure at P >1 GPa and observe the breakdown of the relativistic jeff picture in this regime strongly affecting the electronic properties. A pressure-induced Kitaev quantum spin liquid cannot occur in this broken symmetry state. We shed light on the new phase by broadband infrared spectroscopy of the low-temperature properties of α -RuCl3 and ab initio density functional theory calculations, both under hydrostatic pressure.

Direct observation of growth and collapse of a Bose-Einstein condensate with attractive interactions

NASA Astrophysics Data System (ADS)

Gerton, Jordan M.; Strekalov, Dmitry; Prodan, Ionut; Hulet, Randall G.

2000-12-01

Quantum theory predicts that Bose-Einstein condensation of a spatially homogeneous gas with attractive interactions is precluded by a conventional phase transition into either a liquid or solid. When confined to a trap, however, such a condensate can form, provided that its occupation number does not exceed a limiting value. The stability limit is determined by a balance between the self-attractive forces and a repulsion that arises from position-momentum uncertainty under conditions of spatial confinement. Near the stability limit, self-attraction can overwhelm the repulsion, causing the condensate to collapse. Growth of the condensate is therefore punctuated by intermittent collapses that are triggered by either macroscopic quantum tunnelling or thermal fluctuation. Previous observations of growth and collapse dynamics have been hampered by the stochastic nature of these mechanisms. Here we report direct observations of the growth and subsequent collapse of a 7Li condensate with attractive interactions, using phase-contrast imaging. The success of the measurement lies in our ability to reduce the stochasticity in the dynamics by controlling the initial number of condensate atoms using a two-photon transition to a diatomic molecular state.

Liquid–solid phase transition of hydrogen and deuterium in silica aerogel

DOE PAGES

Van Cleve, E.; Worsley, M. A.; Kucheyev, S. O.

2014-10-30

Behavior of hydrogen isotopes confined in disordered low-density nanoporous solids remains essentially unknown. Here, we use relaxation calorimetry to study freezing and melting of H 2 and D 2 in an ~85%-porous base-catalyzed silica aerogel. In this work, we find that liquid–solid transition temperatures of both isotopes inside the aerogel are depressed. The phase transition takes place over a wide temperature range of ~4 K and non-trivially depends on the liquid filling fraction, reflecting the broad pore size distribution in the aerogel. Undercooling is observed for both H 2 and D 2 confined inside the aerogel monolith. Lastly, results formore » H 2 and D 2 are extrapolated to tritium-containing hydrogens with the quantum law of corresponding states.« less

Do SiO 2 and carbon-doped SiO 2 nanoparticles melt? Insights from QM/MD simulations and ramifications regarding carbon nanotube growth

NASA Astrophysics Data System (ADS)

Page, Alister J.; Chandrakumar, K. R. S.; Irle, Stephan; Morokuma, Keiji

2011-05-01

Quantum chemical molecular dynamics (QM/MD) simulations of pristine and carbon-doped SiO 2 nanoparticles have been performed between 1000 and 3000 K. At temperatures above 1600 K, pristine nanoparticle SiO 2 decomposes rapidly, primarily forming SiO. Similarly, carbon-doped nanoparticle SiO 2 decomposes at temperatures above 2000 K, primarily forming SiO and CO. Analysis of the physical states of these pristine and carbon-doped SiO 2 nanoparticles indicate that they remain in the solid phase throughout decomposition. This process is therefore one of sublimation, as the liquid phase is never entered. Ramifications of these observations with respect to presently debated mechanisms of carbon nanotube growth on SiO 2 nanoparticles will be discussed.

Quantum gas-liquid condensation in an attractive Bose gas

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

Koh, Shun-ichiro

Gas-liquid condensation (GLC) in an attractive Bose gas is studied on the basis of statistical mechanics. Using some results in combinatorial mathematics, the following are derived. (1) With decreasing temperature, the Bose-statistical coherence grows in the many-body wave function, which gives rise to the divergence of the grand partition function prior to Bose-Einstein condensation. It is a quantum-mechanical analogue to the GLC in a classical gas (quantum GLC). (2) This GLC is triggered by the bosons with zero momentum. Compared with the classical GLC, an incomparably weaker attractive force creates it. For the system showing the quantum GLC, we discussmore » a cold helium 4 gas at sufficiently low pressure.« less

Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

NASA Astrophysics Data System (ADS)

Liu, Cheng-Wei

Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the NEQ approach I verify the universality class of the 3D Ising spin-glasses. I also investigate the random 3-regular graphs in terms of both classical and quantum phase transitions. I demonstrate that under this simulation scheme, one can extract information associated with the classical and quantum spin-glass transitions without any knowledge prior to the simulation.

Optical Implementation of the Optimal Universal and Phase-Covariant Quantum Cloning Machines

NASA Astrophysics Data System (ADS)

Ye, Liu; Song, Xue-Ke; Yang, Jie; Yang, Qun; Ma, Yang-Cheng

Quantum cloning relates to the security of quantum computation and quantum communication. In this paper, firstly we propose a feasible unified scheme to implement optimal 1 → 2 universal, 1 → 2 asymmetric and symmetric phase-covariant cloning, and 1 → 2 economical phase-covariant quantum cloning machines only via a beam splitter. Then 1 → 3 economical phase-covariant quantum cloning machines also can be realized by adding another beam splitter in context of linear optics. The scheme is based on the interference of two photons on a beam splitter with different splitting ratios for vertical and horizontal polarization components. It is shown that under certain condition, the scheme is feasible by current experimental technology.

Complexation reactions in pyridine and 2,6-dimethylpyridine-water system: The quantum-chemical description and the path to liquid phase separation.

PubMed

Chernia, Zelig; Tsori, Yoav

2018-03-14

Phase separation in substituted pyridines in water is usually described as an interplay between temperature-driven breakage of hydrogen bonds and the associating interaction of the van der Waals force. In previous quantum-chemical studies, the strength of hydrogen bonding between one water and one pyridine molecules (the 1:1 complex) was assigned a pivotal role. It was accepted that the disassembly of the 1:1 complex at a critical temperature leads to phase separation and formation of the miscibility gap. Yet, for over two decades, notable empirical data and theoretical arguments were presented against that view, thus revealing the need in a revised quantum-mechanical description. In the present study, pyridine-water and 2,6-dimethylpyridine-water systems at different complexation stages are calculated using high level Kohn-Sham theory. The hydrophobic-hydrophilic properties are accounted for by the polarizable continuum solvation model. Inclusion of solvation in free energy of formation calculations reveals that 1:1 complexes are abundant in the organically rich solvents but higher level oligomers (i.e., 2:1 dimers with two pyridines and one water molecule) are the only feasible stable products in the more polar media. At the critical temperature, the dissolution of the external hydrogen bonds between the 2:1 dimer and the surrounding water molecules induces the demixing process. The 1:1 complex acts as a precursor in the formation of the dimers but is not directly involved in the demixing mechanism. The existence of the miscibility gap in one pyridine-water system and the lack of it in another is explained by the ability of the former to maintain stable dimerization. Free energy of formation of several reaction paths producing the 2:1 dimers is calculated and critically analyzed.

Complexation reactions in pyridine and 2,6-dimethylpyridine-water system: The quantum-chemical description and the path to liquid phase separation

NASA Astrophysics Data System (ADS)

Chernia, Zelig; Tsori, Yoav

2018-03-01

Phase separation in substituted pyridines in water is usually described as an interplay between temperature-driven breakage of hydrogen bonds and the associating interaction of the van der Waals force. In previous quantum-chemical studies, the strength of hydrogen bonding between one water and one pyridine molecules (the 1:1 complex) was assigned a pivotal role. It was accepted that the disassembly of the 1:1 complex at a critical temperature leads to phase separation and formation of the miscibility gap. Yet, for over two decades, notable empirical data and theoretical arguments were presented against that view, thus revealing the need in a revised quantum-mechanical description. In the present study, pyridine-water and 2,6-dimethylpyridine-water systems at different complexation stages are calculated using high level Kohn-Sham theory. The hydrophobic-hydrophilic properties are accounted for by the polarizable continuum solvation model. Inclusion of solvation in free energy of formation calculations reveals that 1:1 complexes are abundant in the organically rich solvents but higher level oligomers (i.e., 2:1 dimers with two pyridines and one water molecule) are the only feasible stable products in the more polar media. At the critical temperature, the dissolution of the external hydrogen bonds between the 2:1 dimer and the surrounding water molecules induces the demixing process. The 1:1 complex acts as a precursor in the formation of the dimers but is not directly involved in the demixing mechanism. The existence of the miscibility gap in one pyridine-water system and the lack of it in another is explained by the ability of the former to maintain stable dimerization. Free energy of formation of several reaction paths producing the 2:1 dimers is calculated and critically analyzed.

Observing a scale anomaly and a universal quantum phase transition in graphene.

PubMed

Ovdat, O; Mao, Jinhai; Jiang, Yuhang; Andrei, E Y; Akkermans, E

2017-09-11

One of the most interesting predictions resulting from quantum physics, is the violation of classical symmetries, collectively referred to as anomalies. A remarkable class of anomalies occurs when the continuous scale symmetry of a scale-free quantum system is broken into a discrete scale symmetry for a critical value of a control parameter. This is an example of a (zero temperature) quantum phase transition. Such an anomaly takes place for the quantum inverse square potential known to describe 'Efimov physics'. Broken continuous scale symmetry into discrete scale symmetry also appears for a charged and massless Dirac fermion in an attractive 1/r Coulomb potential. The purpose of this article is to demonstrate the universality of this quantum phase transition and to present convincing experimental evidence of its existence for a charged and massless fermion in an attractive Coulomb potential as realized in graphene.When the continuous scale symmetry of a quantum system is broken, anomalies occur which may lead to quantum phase transitions. Here, the authors provide evidence for such a quantum phase transition in the attractive Coulomb potential of vacancies in graphene, and further envision its universality for diverse physical systems.

Thermodynamic and Neutron Scattering Study of the Spin-1/2 Kagome Antiferromagnet ZnCu3(OH)6Cl2: A Quantum Spin Liquid System

NASA Astrophysics Data System (ADS)

Han, Tianheng

New physics, such as a quantum spin liquid, can emerge in systems where quantum fluctuations are enhanced due to reduced dimensionality and strong frustration . The realization of a quantum spin liquid in two-dimensions would represent a new state of matter. It is believed that spin liquid physics plays a role in the phenomenon of high-Tc superconductivity, and the topological properties of the spin liquid state may have applications in the field of quantum information. The Zn-paratacamite family, ZnxCu4-- x(OH)6Cl2 for x > 0.33, is an ideal system to look for such an exotic state in the form of antiferromagnetic Cu 2 + kagome planes. The x = 1 end member, named herbertsmithite, has shown promising spin liquid properties from prior studies on powder samples. Here we show a new synthesis by which high-quality centimeter-sized single crystals of Znparatacamite have been produced for the first time. Neutron and synchrotron xray diffraction experiments indicate no structural transition down to T = 2 K. The magnetic susceptibility both perpendicular and parallel to the kagome plane has been measured for the x = 1 sample. A small, temperature-dependent anisotropy has been observed, where chi z / chip > 1 at high temperatures and chiz / chip < 1 at low temperatures. Fits of the high-temperature data to a Curie-Weiss model also reveal anisotropies for thetacw's and g-factors. By comparing with theoretical calculations, the presence of a small easy-axis exchange anisotropy can be deduced as a primary perturbation to the dominant Heisenberg nearest neighbor interaction. These results have great bearing on the interpretation of theoretical calculations based on the kagome Heisenberg antiferromagnet model to the experiments on ZnCu3(OH) 6Cl2. Specific heat measurements down to dilution temperatures and under strong applied magnetic fields show a superlinear temperature dependence with a finite linear term. Most importantly, we present neutron scattering measurements of the spin excitations on a large deuterated single crystal sample of herbertsmithite. Our observation of a spinon continuum in a two-dimensional magnet is unprecedented. The sresults serve as a a key fingerprint of the quantum spin liquid state in herbertsmithite. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs mit.edu)

Quantum phases in circuit QED with a superconducting qubit array

PubMed Central

Zhang, Yuanwei; Yu, Lixian; Liang, J. -Q; Chen, Gang; Jia, Suotang; Nori, Franco

2014-01-01

Circuit QED on a chip has become a powerful platform for simulating complex many-body physics. In this report, we realize a Dicke-Ising model with an antiferromagnetic nearest-neighbor spin-spin interaction in circuit QED with a superconducting qubit array. We show that this system exhibits a competition between the collective spin-photon interaction and the antiferromagnetic nearest-neighbor spin-spin interaction, and then predict four quantum phases, including: a paramagnetic normal phase, an antiferromagnetic normal phase, a paramagnetic superradiant phase, and an antiferromagnetic superradiant phase. The antiferromagnetic normal phase and the antiferromagnetic superradiant phase are new phases in many-body quantum optics. In the antiferromagnetic superradiant phase, both the antiferromagnetic and superradiant orders can coexist, and thus the system possesses symmetry. Moreover, we find an unconventional photon signature in this phase. In future experiments, these predicted quantum phases could be distinguished by detecting both the mean-photon number and the magnetization. PMID:24522250

Entanglement entropy of the Q≥4 quantum Potts chain.

PubMed

Lajkó, Péter; Iglói, Ferenc

2017-01-01

The entanglement entropy S is an indicator of quantum correlations in the ground state of a many-body quantum system. At a second-order quantum phase-transition point in one dimension S generally has a logarithmic singularity. Here we consider quantum spin chains with a first-order quantum phase transition, the prototype being the Q-state quantum Potts chain for Q>4 and calculate S across the transition point. According to numerical, density matrix renormalization group results at the first-order quantum phase transition point S shows a jump, which is expected to vanish for Q→4^{+}. This jump is calculated in leading order as ΔS=lnQ[1-4/Q-2/(QlnQ)+O(1/Q^{2})].

Error characterization and quantum control benchmarking in liquid state NMR using quantum information processing techniques

NASA Astrophysics Data System (ADS)

Laforest, Martin

Quantum information processing has been the subject of countless discoveries since the early 1990's. It is believed to be the way of the future for computation: using quantum systems permits one to perform computation exponentially faster than on a regular classical computer. Unfortunately, quantum systems that not isolated do not behave well. They tend to lose their quantum nature due to the presence of the environment. If key information is known about the noise present in the system, methods such as quantum error correction have been developed in order to reduce the errors introduced by the environment during a given quantum computation. In order to harness the quantum world and implement the theoretical ideas of quantum information processing and quantum error correction, it is imperative to understand and quantify the noise present in the quantum processor and benchmark the quality of the control over the qubits. Usual techniques to estimate the noise or the control are based on quantum process tomography (QPT), which, unfortunately, demands an exponential amount of resources. This thesis presents work towards the characterization of noisy processes in an efficient manner. The protocols are developed from a purely abstract setting with no system-dependent variables. To circumvent the exponential nature of quantum process tomography, three different efficient protocols are proposed and experimentally verified. The first protocol uses the idea of quantum error correction to extract relevant parameters about a given noise model, namely the correlation between the dephasing of two qubits. Following that is a protocol using randomization and symmetrization to extract the probability that a given number of qubits are simultaneously corrupted in a quantum memory, regardless of the specifics of the error and which qubits are affected. Finally, a last protocol, still using randomization ideas, is developed to estimate the average fidelity per computational gates for single and multi qubit systems. Even though liquid state NMR is argued to be unsuitable for scalable quantum information processing, it remains the best test-bed system to experimentally implement, verify and develop protocols aimed at increasing the control over general quantum information processors. For this reason, all the protocols described in this thesis have been implemented in liquid state NMR, which then led to further development of control and analysis techniques.

Superconducting quantum circuits theory and application

NASA Astrophysics Data System (ADS)

Deng, Xiuhao

Superconducting quantum circuit models are widely used to understand superconducting devices. This thesis consists of four studies wherein the superconducting quantum circuit is used to illustrate challenges related to quantum information encoding and processing, quantum simulation, quantum signal detection and amplification. The existence of scalar Aharanov-Bohm phase has been a controversial topic for decades. Scalar AB phase, defined as time integral of electric potential, gives rises to an extra phase factor in wavefunction. We proposed a superconducting quantum Faraday cage to detect temporal interference effect as a consequence of scalar AB phase. Using the superconducting quantum circuit model, the physical system is solved and resulting AB effect is predicted. Further discussion in this chapter shows that treating the experimental apparatus quantum mechanically, spatial scalar AB effect, proposed by Aharanov-Bohm, can't be observed. Either a decoherent interference apparatus is used to observe spatial scalar AB effect, or a quantum Faraday cage is used to observe temporal scalar AB effect. The second study involves protecting a quantum system from losing coherence, which is crucial to any practical quantum computation scheme. We present a theory to encode any qubit, especially superconducting qubits, into a universal quantum degeneracy point (UQDP) where low frequency noise is suppressed significantly. Numerical simulations for superconducting charge qubit using experimental parameters show that its coherence time is prolong by two orders of magnitude using our universal degeneracy point approach. With this improvement, a set of universal quantum gates can be performed at high fidelity without losing too much quantum coherence. Starting in 2004, the use of circuit QED has enabled the manipulation of superconducting qubits with photons. We applied quantum optical approach to model coupled resonators and obtained a four-wave mixing toolbox to operate photons states. The model and toolbox are engineered with a superconducting quantum circuit where two superconducting resonators are coupled via the UQDP circuit. Using fourth order perturbation theory one can realize a complete set of quantum operations between these two photon modes. This helps open a new field to treat photon modes as qubits. Additional, a three-wave mixing scheme using phase qubits permits one to engineer the coupling Hamiltonian using a phase qubit as a tunable coupler. Along with Feynman's idea using quantum to simulate quantum, superconducting quantum simulators have been studied intensively recently. Taking the advantage of mesoscopic size of superconducting circuit and local tunability, we came out the idea to simulate quantum phase transition due to disorder. Our first paper was to propose a superconducting quantum simulator of Bose-Hubbard model to do site-wise manipulation and observe Mott-insulator to superfluid phase transition. The side-band cooling of an array of superconducting resonators is solved after the paper was published. In light of the developed technology in manipulating quantum information with superconducting circuit, one can couple other quantum oscillator system to superconducting resonators in order manipulation of its quantum states or parametric amplification of weak quantum signal. A theory that works for different coupling schemes has been studied in chapter 5. This will be a platform for further research.

Understanding the dielectric properties of water

NASA Astrophysics Data System (ADS)

Elton, Daniel Christopher

Liquid water is a complex material with many anomalous properties. Three of these anomalies are an abnormally high dielectric constant, an abnormally high boiling point, and a solid phase which is less dense than the liquid phase. Each of these anomalies is known to have been critically important in the development of life on Earth. All of water's special properties can be linked to water's unique ability to form hydrogen bonds. Water's hydrogen bonds form a transient network. Understanding the average structure of this network and how it changes through the phase diagram remains the focus of intense research. In this thesis we focus on understanding dielectric and infrared measurements, which measure the absorption and refraction of electromagnetic waves at different frequencies. Computer simulation is a necessary tool for correctly interpreting these measurements in terms of the microscopic dynamics of molecules. In the first part of this thesis we compare three classes of water molecule model that are used in molecular dynamics simulation--rigid, flexible, and polarizable. We show how the inclusion of polarization is necessary to capture how water's properties change with pressure and temperature. This finding is relevant to biophysical simulation. In the next part, we conduct a detailed study of water's dielectric properties to discover vibrational modes that propagate through the hydrogen bond network. Parts of the absorption spectrum of water are due to electromagnetic waves coupling to these modes. Previously, vibrational motions in water were thought to be confined to small clusters of perhaps five molecules. Our work upends this view by arguing that dynamics occur on the hydrogen bond network, resulting in modes that can propagate surprisingly long distances of up to two nanometers. These modes bear many similarities to optical phonon modes in ice. We show how the LO-TO splitting of these modes provides a new window into the structure of the hydrogen bond network. In the final part of this thesis we turn to the problems one encounters when trying to simulate water from "first principles'', ie. from the laws of quantum mechanics. The primary technique that physicists use to approximate the quantum mechanics of electrons, density functional theory, does not work well for water, and much work is being done to understand how to fix this problem. A usual assumption in first principles simulation is that only electrons need to be treated quantum mechanically. We argue that both electrons and nuclei need to be treated quantum mechanically and we present a new code to do this. The custom code presented in this thesis implements a novel algorithm which greatly speeds up the calculation of nuclear quantum effects with only minor losses in accuracy. We hope that others will start using our technique to advance first principles simulation. Accurate first principles simulation of water is important for understanding and developing solar water splitting catalysts and batteries. First principles simulations are also being increasingly used to understand proteins and drug molecules, and this trend will continue with Moore's law.

Berry phase and Hannay's angle in a quantum-classical hybrid system

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

Liu, H. D.; Wu, S. L.; Yi, X. X.

2011-06-15

The Berry phase, which was discovered more than two decades ago, provides very deep insight into the geometric structure of quantum mechanics. Its classical counterpart, Hannay's angle, is defined if closed curves of action variables return to the same curves in phase space after a time evolution. In this paper we study the Berry phase and Hannay's angle in a quantum-classical hybrid system under the Born-Oppenheimer approximation. By the term quantum-classical hybrid system, we mean a composite system consists of a quantum subsystem and a classical subsystem. The effects of subsystem-subsystem couplings on the Berry phase and Hannay's angle aremore » explored. The results show that the Berry phase has been changed sharply by the couplings, whereas the couplings have a small effect on the Hannay's angle.« less

Quantum adiabatic machine learning

NASA Astrophysics Data System (ADS)

Pudenz, Kristen L.; Lidar, Daniel A.

2013-05-01

We develop an approach to machine learning and anomaly detection via quantum adiabatic evolution. This approach consists of two quantum phases, with some amount of classical preprocessing to set up the quantum problems. In the training phase we identify an optimal set of weak classifiers, to form a single strong classifier. In the testing phase we adiabatically evolve one or more strong classifiers on a superposition of inputs in order to find certain anomalous elements in the classification space. Both the training and testing phases are executed via quantum adiabatic evolution. All quantum processing is strictly limited to two-qubit interactions so as to ensure physical feasibility. We apply and illustrate this approach in detail to the problem of software verification and validation, with a specific example of the learning phase applied to a problem of interest in flight control systems. Beyond this example, the algorithm can be used to attack a broad class of anomaly detection problems.

Quantum phase transitions in spin-1 X X Z chains with rhombic single-ion anisotropy

NASA Astrophysics Data System (ADS)

Ren, Jie; Wang, Yimin; You, Wen-Long

2018-04-01

We explore numerically the inverse participation ratios in the ground state of one-dimensional spin-1 X X Z chains with the rhombic single-ion anisotropy. By employing the techniques of density-matrix renormalization group, effects of the rhombic single-ion anisotropy on various information theoretical measures are investigated, such as the fidelity susceptibility, the quantum coherence, and the entanglement entropy. Their relations with the quantum phase transitions are also analyzed. The phase transitions from the Y -Néel phase to the large-Ex or the Haldane phase can be well characterized by the fidelity susceptibility. The second-order derivative of the ground-state energy indicates all the transitions are of second order. We also find that the quantum coherence, the entanglement entropy, the Schmidt gap, and the inverse participation ratios can be used to detect the critical points of quantum phase transitions. Results drawn from these quantum information observables agree well with each other. Finally we provide a ground-state phase diagram as functions of the exchange anisotropy Δ and the rhombic single-ion anisotropy E .

Hidden magnetism and quantum criticality in the heavy fermion superconductor CeRhIn5.

PubMed

Park, Tuson; Ronning, F; Yuan, H Q; Salamon, M B; Movshovich, R; Sarrao, J L; Thompson, J D

2006-03-02

With only a few exceptions that are well understood, conventional superconductivity does not coexist with long-range magnetic order (for example, ref. 1). Unconventional superconductivity, on the other hand, develops near a phase boundary separating magnetically ordered and magnetically disordered phases. A maximum in the superconducting transition temperature T(c) develops where this boundary extrapolates to zero Kelvin, suggesting that fluctuations associated with this magnetic quantum-critical point are essential for unconventional superconductivity. Invariably, though, unconventional superconductivity masks the magnetic phase boundary when T < T(c), preventing proof of a magnetic quantum-critical point. Here we report specific-heat measurements of the pressure-tuned unconventional superconductor CeRhIn5 in which we find a line of quantum-phase transitions induced inside the superconducting state by an applied magnetic field. This quantum-critical line separates a phase of coexisting antiferromagnetism and superconductivity from a purely unconventional superconducting phase, and terminates at a quantum tetracritical point where the magnetic field completely suppresses superconductivity. The T --> 0 K magnetic field-pressure phase diagram of CeRhIn5 is well described with a theoretical model developed to explain field-induced magnetism in the high-T(c) copper oxides, but in which a clear delineation of quantum-phase boundaries has not been possible. These experiments establish a common relationship among hidden magnetism, quantum criticality and unconventional superconductivity in copper oxides and heavy-electron systems such as CeRhIn5.

Emergence of Quantum Phase-Slip Behaviour in Superconducting NbN Nanowires: DC Electrical Transport and Fabrication Technologies.

PubMed

Constantino, Nicolas G N; Anwar, Muhammad Shahbaz; Kennedy, Oscar W; Dang, Manyu; Warburton, Paul A; Fenton, Jonathan C

2018-06-16

Superconducting nanowires undergoing quantum phase-slips have potential for impact in electronic devices, with a high-accuracy quantum current standard among a possible toolbox of novel components. A key element of developing such technologies is to understand the requirements for, and control the production of, superconducting nanowires that undergo coherent quantum phase-slips. We present three fabrication technologies, based on using electron-beam lithography or neon focussed ion-beam lithography, for defining narrow superconducting nanowires, and have used these to create nanowires in niobium nitride with widths in the range of 20⁻250 nm. We present characterisation of the nanowires using DC electrical transport at temperatures down to 300 mK. We demonstrate that a range of different behaviours may be obtained in different nanowires, including bulk-like superconducting properties with critical-current features, the observation of phase-slip centres and the observation of zero conductance below a critical voltage, characteristic of coherent quantum phase-slips. We observe critical voltages up to 5 mV, an order of magnitude larger than other reports to date. The different prominence of quantum phase-slip effects in the various nanowires may be understood as arising from the differing importance of quantum fluctuations. Control of the nanowire properties will pave the way for routine fabrication of coherent quantum phase-slip nanowire devices for technology applications.

Open quantum generalisation of Hopfield neural networks

NASA Astrophysics Data System (ADS)

Rotondo, P.; Marcuzzi, M.; Garrahan, J. P.; Lesanovsky, I.; Müller, M.

2018-03-01

We propose a new framework to understand how quantum effects may impact on the dynamics of neural networks. We implement the dynamics of neural networks in terms of Markovian open quantum systems, which allows us to treat thermal and quantum coherent effects on the same footing. In particular, we propose an open quantum generalisation of the Hopfield neural network, the simplest toy model of associative memory. We determine its phase diagram and show that quantum fluctuations give rise to a qualitatively new non-equilibrium phase. This novel phase is characterised by limit cycles corresponding to high-dimensional stationary manifolds that may be regarded as a generalisation of storage patterns to the quantum domain.

Husimi function and phase-space analysis of bilayer quantum Hall systems at ν = 2/λ

NASA Astrophysics Data System (ADS)

Calixto, M.; Peón-Nieto, C.

2018-05-01

We propose localization measures in phase space of the ground state of bilayer quantum Hall systems at fractional filling factors , to characterize the three quantum phases (shortly denoted by spin, canted and ppin) for arbitrary -isospin λ. We use a coherent state (Bargmann) representation of quantum states, as holomorphic functions in the 8-dimensional Grassmannian phase-space (a higher-dimensional generalization of the Haldane’s 2-dimensional sphere ). We quantify the localization (inverse volume) of the ground state wave function in phase-space throughout the phase diagram (i.e. as a function of Zeeman, tunneling, layer distance, etc, control parameters) with the Husimi function second moment, a kind of inverse participation ratio that behaves as an order parameter. Then we visualize the different ground state structure in phase space of the three quantum phases, the canted phase displaying a much higher delocalization (a Schrödinger cat structure) than the spin and ppin phases, where the ground state is highly coherent. We find a good agreement between analytic (variational) and numeric diagonalization results.

Method for Predicting Hypergolic Mixture Flammability Limits

DTIC Science & Technology

2017-02-01

liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition and the interactions...of what happens in the liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition...and the interactions of all these phases. The ignition happens in the gas -phase but products formed here and there (in the liquid phase or at

Viscoelastic wormlike micelles formed by ionic liquid-type surfactant [C16imC8]Br towards template-assisted synthesis of CdS quantum dots.

PubMed

Hu, Yimin; Han, Jie; Ge, Lingling; Guo, Rong

2018-01-31

In this paper, viscoelastic wormlike micelles consisting of cationic liquid-type surfactant, 1-hexadecyl-3-octyl imidazolium bromide ([C 16 imC 8 ]Br), water and different additives were utilized for the synthesis of CdS quantum dots. First, the influence of different additives, such as [Cd(NH 3 ) 6 ]Cl 2 and ethanethioamid (precursors for the synthesis of CdS quantum dots), and temperature on the viscoelasticity of the [C 16 imC 8 ]Br aqueous solution was studied by dynamic and steady rheology. Furthermore, the synthesized CdS quantum dots and their photoluminescence properties were characterized by transmission electron microscopy (TEM), UV-Vis absorption spectroscopy, X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDX). In the end, the mechanism for the synthesis of CdS quantum dots in [C 16 imC 8 ]Br wormlike micelles is proposed.

Non-equilibrium coherence dynamics in one-dimensional Bose gases.

PubMed

Hofferberth, S; Lesanovsky, I; Fischer, B; Schumm, T; Schmiedmayer, J

2007-09-20

Low-dimensional systems provide beautiful examples of many-body quantum physics. For one-dimensional (1D) systems, the Luttinger liquid approach provides insight into universal properties. Much is known of the equilibrium state, both in the weakly and strongly interacting regimes. However, it remains a challenge to probe the dynamics by which this equilibrium state is reached. Here we present a direct experimental study of the coherence dynamics in both isolated and coupled degenerate 1D Bose gases. Dynamic splitting is used to create two 1D systems in a phase coherent state. The time evolution of the coherence is revealed through local phase shifts of the subsequently observed interference patterns. Completely isolated 1D Bose gases are observed to exhibit universal sub-exponential coherence decay, in excellent agreement with recent predictions. For two coupled 1D Bose gases, the coherence factor is observed to approach a non-zero equilibrium value, as predicted by a Bogoliubov approach. This coupled-system decay to finite coherence is the matter wave equivalent of phase-locking two lasers by injection. The non-equilibrium dynamics of superfluids has an important role in a wide range of physical systems, such as superconductors, quantum Hall systems, superfluid helium and spin systems. Our experiments studying coherence dynamics show that 1D Bose gases are ideally suited for investigating this class of phenomena.

Electronic in-plane symmetry breaking at field-tuned quantum criticality in CeRhIn5

NASA Astrophysics Data System (ADS)

Ronning, F.; Helm, T.; Shirer, K. R.; Bachmann, M. D.; Balicas, L.; Chan, M. K.; Ramshaw, B. J.; McDonald, R. D.; Balakirev, F. F.; Jaime, M.; Bauer, E. D.; Moll, P. J. W.

2017-08-01

Electronic nematic materials are characterized by a lowered symmetry of the electronic system compared to the underlying lattice, in analogy to the directional alignment without translational order in nematic liquid crystals. Such nematic phases appear in the copper- and iron-based high-temperature superconductors, and their role in establishing superconductivity remains an open question. Nematicity may take an active part, cooperating or competing with superconductivity, or may appear accidentally in such systems. Here we present experimental evidence for a phase of fluctuating nematic character in a heavy-fermion superconductor, CeRhIn5 (ref. 5). We observe a magnetic-field-induced state in the vicinity of a field-tuned antiferromagnetic quantum critical point at Hc ≈ 50 tesla. This phase appears above an out-of-plane critical field H* ≈ 28 tesla and is characterized by a substantial in-plane resistivity anisotropy in the presence of a small in-plane field component. The in-plane symmetry breaking has little apparent connection to the underlying lattice, as evidenced by the small magnitude of the magnetostriction anomaly at H*. Furthermore, no anomalies appear in the magnetic torque, suggesting the absence of metamagnetism in this field range. The appearance of nematic behaviour in a prototypical heavy-fermion superconductor highlights the interrelation of nematicity and unconventional superconductivity, suggesting nematicity to be common among correlated materials.

Emergence of liquid crystalline order in the lowest Landau level of a quantum Hall system with internal anisotropy

NASA Astrophysics Data System (ADS)

Ciftja, Orion

2018-05-01

It has now become evident that interplay between internal anisotropy parameters (such as electron mass anisotropy and/or anisotropic coupling of electrons to the substrate) and electron-electron correlation effects can create a rich variety of possibilities especially in quantum Hall systems. The electron mass anisotropy or material substrate effects (for example, the piezoelectric effect in GaAs) can lead to an effective anisotropic interaction potential between electrons. For lack of knowledge of realistic ab-initio potentials that may describe such effects, we adopt a phenomenological approach and assume that an anisotropic Coulomb interaction potential mimics the internal anisotropy of the system. In this work we investigate the emergence of liquid crystalline order at filling factor ν = 1/6 of the lowest Landau level, a state very close to the point where a transition from the liquid to the Wigner solid happens. We consider small finite systems of electrons interacting with an anisotropic Coulomb interaction potential and study the energy stability of an anisotropic liquid crystalline state relative to its isotropic Fermi-liquid counterpart. Quantum Monte Carlo simulation results in disk geometry show stabilization of liquid crystalline order driven by an anisotropic Coulomb interaction potential at all values of the interaction anisotropy parameter studied.

Correlation and nonlocality measures as indicators of quantum phase transitions in several critical systems

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

Altintas, Ferdi, E-mail: ferdialtintas@ibu.edu.tr; Eryigit, Resul, E-mail: resul@ibu.edu.tr

2012-12-15

We have investigated the quantum phase transitions in the ground states of several critical systems, including transverse field Ising and XY models as well as XY with multiple spin interactions, XXZ and the collective system Lipkin-Meshkov-Glick models, by using different quantumness measures, such as entanglement of formation, quantum discord, as well as its classical counterpart, measurement-induced disturbance and the Clauser-Horne-Shimony-Holt-Bell function. Measurement-induced disturbance is found to detect the first and second order phase transitions present in these critical systems, while, surprisingly, it is found to fail to signal the infinite-order phase transition present in the XXZ model. Remarkably, the Clauser-Horne-Shimony-Holt-Bellmore » function is found to detect all the phase transitions, even when quantum and classical correlations are zero for the relevant ground state. - Highlights: Black-Right-Pointing-Pointer The ability of correlation measures to detect quantum phase transitions has been studied. Black-Right-Pointing-Pointer Measurement induced disturbance fails to detect the infinite order phase transition. Black-Right-Pointing-Pointer CHSH-Bell function detects all phase transitions even when the bipartite density matrix is uncorrelated.« less

Crystal-Phase Quantum Wires: One-Dimensional Heterostructures with Atomically Flat Interfaces.

PubMed

Corfdir, Pierre; Li, Hong; Marquardt, Oliver; Gao, Guanhui; Molas, Maciej R; Zettler, Johannes K; van Treeck, David; Flissikowski, Timur; Potemski, Marek; Draxl, Claudia; Trampert, Achim; Fernández-Garrido, Sergio; Grahn, Holger T; Brandt, Oliver

2018-01-10

In semiconductor quantum-wire heterostructures, interface roughness leads to exciton localization and to a radiative decay rate much smaller than that expected for structures with flat interfaces. Here, we uncover the electronic and optical properties of the one-dimensional extended defects that form at the intersection between stacking faults and inversion domain boundaries in GaN nanowires. We show that they act as crystal-phase quantum wires, a novel one-dimensional quantum system with atomically flat interfaces. These quantum wires efficiently capture excitons whose radiative decay gives rise to an optical doublet at 3.36 eV at 4.2 K. The binding energy of excitons confined in crystal-phase quantum wires is measured to be more than twice larger than that of the bulk. As a result of their unprecedented interface quality, these crystal-phase quantum wires constitute a model system for the study of one-dimensional excitons.

Analytic renormalized bipartite and tripartite quantum discords with quantum phase transition in XXZ spins chain

NASA Astrophysics Data System (ADS)

Joya, Wajid; Khan, Salman; Khalid Khan, M.; Alam, Sher

2017-05-01

The behavior of bipartite quantum discord (BQD) and tripartite quantum discord (TQD) in the Heisenberg XXZ spins chain is investigated with the increasing size of the system using the approach of the quantum renormalization group method. Analytical relations for both BQD and TQD are obtained and the results are checked through numerical optimization. In the thermodynamics limit, both types of discord exhibit quantum phase transition (QPT). The boundary of QPT links the phases of saturated discord and zero discord. The first derivative of both discords becomes discontinuous at the critical point, which corresponds to the second-order phase transition. Qualitatively identical, the amount of saturated BQD strongly depends on the relative positions of spins inside a block. TQD can be a better candidate than BQD both for analyzing QPT and implementing quantum information tasks. The scaling behavior in the vicinity of the critical point is discussed.

Quantum phases of dipolar rotors on two-dimensional lattices

NASA Astrophysics Data System (ADS)

Abolins, B. P.; Zillich, R. E.; Whaley, K. B.

2018-03-01

The quantum phase transitions of dipoles confined to the vertices of two-dimensional lattices of square and triangular geometry is studied using path integral ground state quantum Monte Carlo. We analyze the phase diagram as a function of the strength of both the dipolar interaction and a transverse electric field. The study reveals the existence of a class of orientational phases of quantum dipolar rotors whose properties are determined by the ratios between the strength of the anisotropic dipole-dipole interaction, the strength of the applied transverse field, and the rotational constant. For the triangular lattice, the generic orientationally disordered phase found at zero and weak values of both dipolar interaction strength and applied field is found to show a transition to a phase characterized by net polarization in the lattice plane as the strength of the dipole-dipole interaction is increased, independent of the strength of the applied transverse field, in addition to the expected transition to a transverse polarized phase as the electric field strength increases. The square lattice is also found to exhibit a transition from a disordered phase to an ordered phase as the dipole-dipole interaction strength is increased, as well as the expected transition to a transverse polarized phase as the electric field strength increases. In contrast to the situation with a triangular lattice, on square lattices, the ordered phase at high dipole-dipole interaction strength possesses a striped ordering. The properties of these quantum dipolar rotor phases are dominated by the anisotropy of the interaction and provide useful models for developing quantum phases beyond the well-known paradigms of spin Hamiltonian models, implementing in particular a novel physical realization of a quantum rotor-like Hamiltonian that possesses an anisotropic long range interaction.

Role of quantum fluctuations in structural dynamics of liquids of light molecules

DOE PAGES

Agapov, A.; Novikov, V. N.; Kisliuk, A.; ...

2016-12-16

A possible role of quantum effects, such as tunneling and zero-point energy, in the structural dynamics of supercooled liquids is studied by dielectric spectroscopy. Our results demonstrate that the liquids, bulk 3-methyl pentane and confined normal and deuterated water, have low glass transition temperature and unusually low for their class of materials steepness of the temperature dependence of structural relaxation (fragility). Although we do not find any signs of tunneling in the structural relaxation of these liquids, their unusually low fragility can be well described by the influence of the quantum fluctuations. Confined water presents an especially interesting case inmore » comparison to the earlier data on bulk low-density amorphous and vapor deposited water. Confined water exhibits a much weaker isotope effect than bulk water, although the effect is still significant. Here, we show that it can be ascribed to the change of the energy barrier for relaxation due to a decrease in the zeropoint energy upon D/H substitution. We observed a difference in the behavior of confined and bulk water demonstrates high sensitivity of quantum effects to the barrier heights and structure of water. Moreover, these results demonstrate that extrapolation of confined water properties to the bulk water behavior is questionable.« less

Third Law of Thermodynamics and The Shape of the Phase Diagram for Systems With a First-Order Quantum Phase Transition.

PubMed

Kirkpatrick, T R; Belitz, D

2015-07-10

The third law of thermodynamics constrains the phase diagram of systems with a first-order quantum phase transition. For a zero conjugate field, the coexistence curve has an infinite slope at T=0. If a tricritical point exists at T>0, then the associated tricritical wings are perpendicular to the T=0 plane, but not to the zero-field plane. These results are based on the third law and basic thermodynamics only, and are completely general. As an explicit example we consider the ferromagnetic quantum phase transition in clean metals, where a first-order quantum phase transition is commonly observed.

Quantum blind dual-signature scheme without arbitrator

NASA Astrophysics Data System (ADS)

Li, Wei; Shi, Ronghua; Huang, Dazu; Shi, Jinjing; Guo, Ying

2016-03-01

Motivated by the elegant features of a bind signature, we suggest the design of a quantum blind dual-signature scheme with three phases, i.e., initial phase, signing phase and verification phase. Different from conventional schemes, legal messages are signed not only by the blind signatory but also by the sender in the signing phase. It does not rely much on an arbitrator in the verification phase as the previous quantum signature schemes usually do. The security is guaranteed by entanglement in quantum information processing. Security analysis demonstrates that the signature can be neither forged nor disavowed by illegal participants or attacker. It provides a potential application for e-commerce or e-payment systems with the current technology.

Wigner's quantum phase-space current in weakly-anharmonic weakly-excited two-state systems

NASA Astrophysics Data System (ADS)

Kakofengitis, Dimitris; Steuernagel, Ole

2017-09-01

There are no phase-space trajectories for anharmonic quantum systems, but Wigner's phase-space representation of quantum mechanics features Wigner current J . This current reveals fine details of quantum dynamics —finer than is ordinarily thought accessible according to quantum folklore invoking Heisenberg's uncertainty principle. Here, we focus on the simplest, most intuitive, and analytically accessible aspects of J. We investigate features of J for bound states of time-reversible, weakly-anharmonic one-dimensional quantum-mechanical systems which are weakly-excited. We establish that weakly-anharmonic potentials can be grouped into three distinct classes: hard, soft, and odd potentials. We stress connections between each other and the harmonic case. We show that their Wigner current fieldline patterns can be characterised by J's discrete stagnation points, how these arise and how a quantum system's dynamics is constrained by the stagnation points' topological charge conservation. We additionally show that quantum dynamics in phase space, in the case of vanishing Planck constant ℏ or vanishing anharmonicity, does not pointwise converge to classical dynamics.

Probing the structural and dynamical properties of liquid water with models including non-local electron correlation

NASA Astrophysics Data System (ADS)

Del Ben, Mauro; Hutter, Jürg; VandeVondele, Joost

2015-08-01

Water is a ubiquitous liquid that displays a wide range of anomalous properties and has a delicate structure that challenges experiment and simulation alike. The various intermolecular interactions that play an important role, such as repulsion, polarization, hydrogen bonding, and van der Waals interactions, are often difficult to reproduce faithfully in atomistic models. Here, electronic structure theories including all these interactions at equal footing, which requires the inclusion of non-local electron correlation, are used to describe structure and dynamics of bulk liquid water. Isobaric-isothermal (NpT) ensemble simulations based on the Random Phase Approximation (RPA) yield excellent density (0.994 g/ml) and fair radial distribution functions, while various other density functional approximations produce scattered results (0.8-1.2 g/ml). Molecular dynamics simulation in the microcanonical (NVE) ensemble based on Møller-Plesset perturbation theory (MP2) yields dynamical properties in the condensed phase, namely, the infrared spectrum and diffusion constant. At the MP2 and RPA levels of theory, ice is correctly predicted to float on water, resolving one of the anomalies as resulting from a delicate balance between van der Waals and hydrogen bonding interactions. For several properties, obtaining quantitative agreement with experiment requires correction for nuclear quantum effects (NQEs), highlighting their importance, for structure, dynamics, and electronic properties. A computed NQE shift of 0.6 eV for the band gap and absorption spectrum illustrates the latter. Giving access to both structure and dynamics of condensed phase systems, non-local electron correlation will increasingly be used to study systems where weak interactions are of paramount importance.