Piezoelectric and dielectric properties of Pb ( Zr , Ti ) O 3 ferroelectric bilayers
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Grigoriev, Alexei↗
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Superfluidity and collective modes in Rashba spin–orbit coupled Fermi gases
We present a theoretical study of the superfluidity and the corresponding collective modes in two-component atomic Fermi gases with s-wave attraction and synthetic Rashba spin–orbit coupling. The general effective action for the collective modes is derived from the functional path integral formalism. By tuning the spin–orbit coupling from weak to strong, the system undergoes a crossover from an ordinary BCS/BEC superfluid to a Bose–Einstein condensate of rashbons. We show that the properties of the superfluid density and the Anderson–Bogoliubov mode manifest this crossover. At large spin–orbit coupling, the superfluid density and the sound velocity become independent of the strength of the s-wave attraction. The two-body interaction among the rashbons is also determined. When a Zeeman field is turned on, the system undergoes quantum phase transitions to some exotic superfluid phases which are topologically nontrivial. For the two-dimensional system, the nonanalyticities of the thermodynamic functions and the sound velocity across the phase transition are related to the bulk gapless fermionic excitation which causes infrared singularities. The superfluid density and the sound velocity behave nonmonotonically: they are suppressed by the Zeeman field in the normal superfluid phase, but get enhanced in the topological superfluid phase. The three-dimensional system is also studied. -- Highlights: •The general effective action for Rashba spin–orbit coupled Fermi superfluids is derived. •The evolution of the collective modes manifests the BCS/BEC-rashbon crossover. •The superfluid properties are universal at large spin–orbit coupling. •The sound velocity behaves nonanalytically across the quantum phase transition.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies
A series of lanthanide coordination polymers have been obtained through the hydrothermal reaction of N-(sulfoethyl) iminodiacetic acid (H{sub 3}SIDA) and Ln(NO{sub 3}){sub 3} (Ln=La, 1; Pr, 2; Nd, 3; Gd, 4). Crystal structure analysis exhibits that lanthanide ions affect the coordination number, bond length and dimension of compounds 1-4, which reveal that their structure diversity can be attributed to the effect of lanthanide contraction. Furthermore, the combination of magnetic measure with quantum Monte Carlo(QMC) studies exhibits that the coupling parameters between two adjacent Gd{sup 3+} ions for anti-anti and syn-anti carboxylate bridges are -1.0 Multiplication-Sign 10{sup -3} and -5.0 Multiplication-Sign 10{sup -3} cm{sup -1}, respectively, which reveals weak antiferromagnetic interaction in 4. - Graphical abstract: Four lanthanide coordination polymers with N-(sulfoethyl) iminodiacetic acid were obtained under hydrothermal condition and reveal the weak antiferromagnetic coupling between two Gd{sup 3+} ions by Quantum Monte Carlo studies. Highlights: Black-Right-Pointing-Pointer Four lanthanide coordination polymers of H{sub 3}SIDA ligand were obtained. Black-Right-Pointing-Pointer Lanthanide ions play an important role in their structural diversity. Black-Right-Pointing-Pointer Magnetic measure exhibits that compound 4 features antiferromagnetic property. Black-Right-Pointing-Pointer Quantum Monte Carlo studies reveal the coupling parameters of two Gd{sup 3+} ions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Structure and physical properties of RE{sub 2}AgGe{sub 3} (RE=Ce, Pr, Nd) compounds
We have synthesized the compounds RE{sub 2}AgGe{sub 3} (RE =Ce, Pr, Nd) by arc melting. The crystal structure obtained from single crystal and powder X-ray diffraction suggests that these compounds crystallize in the α-ThSi{sub 2} structure type. The magnetic susceptibility data of Ce{sub 2}AgGe{sub 3} follows Curie–Weiss (CW) law above 25 K without any magnetic ordering down to 2 K. The effective magnetic moment (μ{sub eff}) was calculated as 2.53 μ{sub B}/Ce and negative Curie paramagnetic temperature (θ{sub p})=−2.4 K hint weak antiferromagnetic coupling among the adjacent spins. Pr{sub 2}AgGe{sub 3} shows a complex magnetic behavior wherein the magnetic susceptibility at field cooled and zero field cooled modes bifurcates at 11.5 K with the latter undergoing a cusp like maxima, probably due to weak ferromagnetic interaction. The θ{sub p} and μ{sub eff} obtained are 4 K and 4.33 μ{sub B}/Pr, respectively. Nd{sub 2}AgGe{sub 3} undergoes multiple magnetic transitions. Temperature dependent resistivity data reveals that three compounds are metallic in nature. - Graphical abstract: The compounds Ce{sub 2}AgGe{sub 3}, Pr{sub 2}AgGe{sub 3} and Nd{sub 2}AgGe{sub 3} have been synthesized by arc melting. X-ray diffraction suggests tetragonal α-ThSi{sub 2} type structure and diverse magnetic properties exhibited in the magnetic measurements. - Highlights: • Two new compounds Ce{sub 2}AgGe{sub 3}, Nd{sub 2}AgGe{sub 3} and known Pr{sub 2}AgGe{sub 3} synthesized by arc melting. • Crystal structure of the compounds derived from X-ray diffraction. • Ce{sub 2}AgGe{sub 3} and Pr{sub 2}AgGe{sub 3} exhibit antiferromagnetic ordering. • Nd{sub 2}AgGe{sub 3} shows multiple magnetic transition with ferrimagnetic like behavior.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Tsunami Generation from Asteroid Airburst and Ocean Impact and Van Dorn Effect
Airburst - In the simulations explored energy from the airburst couples very weakly with the water making tsunami dangerous over a shorter distance than the blast for asteroid sizes up to the maximum expected size that will still airburst (approx.250MT). Future areas of investigation: - Low entry angle airbursts create more cylindrical blasts and might couple more efficiently - Bursts very close to the ground will increase coupling - Inclusion of thermosphere (>80km altitude) may show some plume collapse effects over a large area although with much less pressure center dot Ocean Impact - Asteroid creates large cavity in ocean. Cavity backfills creating central jet. Oscillation between the cavity and jet sends out tsunami wave packet. - For deep ocean impact waves are deep water waves (Phase speed = 2x Group speed) - If the tsunami propagation and inundation calculations are correct for the small (<250MT) asteroids in these simulations where they impact deep ocean basins, the resulting tsunami is not a significant hazard unless particularly close to vulnerable communities. Future work: - Shallow ocean impact. - Effect of continental shelf and beach profiles - Tsunami vs. blast damage radii for impacts close to populated areas - Larger asteroids below presumed threshold of global effects (Ø200 - 800m).
Tsunami↗
Ferromagnetic interactions and slow magnetic relaxation behaviors of two lanthanide coordination polymers bridged by 2,6-naphthalenedicarboxylate ligand
Two lanthanide-based frameworks: (Ln(phen)(NDA){sub 1.5}(H{sub 2}O)){sub n} (Ln=Gd(1), NDA=2,6-naphthalenedicarboxylate anion, phen=1,10-phenanthroline), and ([Dy(phen)(NDA){sub 1.5}]·0.5H{sub 2}NDA){sub n} (2) were structurally and magnetically characterized. Compound 1 exhibits 2D layer structure, belonging to the triclinic system with space group P−1, while compound 2 features a 3D framework with space group P−1. The magnetic studies revealed that ferromagnetic coupling existed between adjacent lanthanide ions in 1 and 2, and frequency-dependence out-of-phase signals in the measurement of alternate-current susceptibilities were observed for 2, albeit without reaching the characteristic maxima above 2 K, implying slow magnetic relaxation behavior in 2. After the application of a dc field, good peak shapes of ac signal were obtained and got the energy barrier ΔE/k{sub B}=29 K and the pre-exponential factor τ{sub 0}=4.47×10{sup −7} s at 2000 Oe field; and when the dc field was in 5000 Oe, giving ΔE/k{sub B}=40 K and τ{sub 0}=2.82×10{sup −6}. - Graphical abstract: Two novel lanthanide-based frameworks 1 and 2 were structurally and magnetically characterized. The results revealed that ferromagnetic coupling exists between adjacent lanthanide ions in 1 and 2, and 2 displayed slow magnetic relaxation behavior with the energy barrier of 29 K. - Highlights: • Two lanthanide frameworks were synthesized and magnetically characterized. • The magnetism studies indicate slow magnetic relaxation behavior in 2. • Weak ferromagnetic coupling existing between adjacent lanthanide centers.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Isocurvature constraints on portal couplings
We consider portal models which are ultraweakly coupled with the Standard Model, and confront them with observational constraints on dark matter abundance and isocurvature perturbations. We assume the hidden sector to contain a real singlet scalar s and a sterile neutrino ψ coupled to s via a pseudoscalar Yukawa term. During inflation, a primordial condensate consisting of the singlet scalar s is generated, and its contribution to the isocurvature perturbations is imprinted onto the dark matter abundance. We compute the total dark matter abundance including the contributions from condensate decay and nonthermal production from the Standard Model sector. We then use the Planck limit on isocurvature perturbations to derive a novel constraint connecting dark matter mass and the singlet self coupling with the scale of inflation: m {sub DM}/GeV ∼< 0.2λ{sub s}{sup 3/8} ( H {sub *}/10{sup 11} GeV){sup −3/2}. This constraint is relevant in most portal models ultraweakly coupled with the Standard Model and containing light singlet scalar fields.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Thermal models for solar hard X-ray bursts
Thermal models for hard X-ray bursts consisting of a one-dimensional flux tube whose central electrons are heated to about 400 million K are examined. It is found that the evolution of a thermal X-ray source is a sensitive function of the electron-ion thermal coupling and the state of the plasma into which the source expands. When this coupling is weak, the heated electrons separate into a region of high temperature of about 400 million K and a region of lower temperature of about 100 million K, a process which leads to a power-law X-ray spectrum. In the case of strong coupling there is only one dominant temperature, about 200 million K, and the X-ray spectrum resembles a true thermal spectrum.
Smith, D. F.↗
Controllable generation of photons and phonons in a coupled Bose–Einstein condensate-optomechanical cavity via the parametric dynamical Casimir effect
We theoretically propose and investigate a feasible experimental scheme for the realization of the dynamical Casimir effect (DCE) in a hybrid optomechanical cavity with a moving end mirror containing an interacting cigar-shaped Bose–Einstein condensate (BEC). We show that in the red-detuned regime of cavity optomechanics together with the weak optomechanical coupling limit by coherent modulation of the s-wave scattering frequency of the BEC and the mechanical spring coefficient of the mechanical oscillator (MO), the mechanical and atomic quantum vacuum fluctuations are parametrically amplified, which consequently lead to the generation of the mechanical/Bogoliubov-type Casimir phonons. Interestingly, in the coherent regime corresponding to the case of largely different optomechanical coupling strengths of the cavity field to the BEC and the MO, or equivalently largely different cooperativities, one can generate a large number of Casimir photons due to the amplification of the intracavity vacuum fluctuations induced by the time modulations of the BEC and the MO. The number of generated Casimir particles are externally controllable by the cooperativities, and the modulation amplitudes of the atomic collisions rate and the mechanical spring coefficient.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Applications of Strain-Coupled Magnetoelectric Composites
This article deals with research, development and future directions of magnetoelectric composites for practical devices applications. In the past 20 years there has been a surge of research in the area of multiferroics (MF) and magnetoelectrics (ME) due to their potential to replace existing technologies based only on ferroelectric or ferromagnetic materials. Some of the magnetoelectric composites show exceptionally high potential in the area of magnetic field sensors, however, work remains before commercialization can be realized. The cross coupling among various ferroic parameters in magnetoelectric composites is several orders higher than single phase magetoelectrics, which make its favorable for low detection (nT or pT) magnetic field sensors. Advances in both layered structures or controlled three-dimensional matrix composites for applications as magnetoelectric nonvolatile memory elements are both required. Robust cross-coupling among various parameters with more than four logic states and its compatibility with complementary-symmetry metal–oxide–semiconductor (CMOS) technology are the main requirements for heterostructure magnetoelectric thin films. The major hurdles in the area of magnetoelectric nonvolatile memory elements are poor interfacial properties and weak magnetoelectric coupling for high density fast read and write processes. Another potential area is strained coupled magneto-electric composites where magnetostriction mediated dimensional change in the magnetic layer effectively modulate the change in the dimension of piezoelectric layers via piezostriction, which leads to a strong ME coupling where their coupling magnitude is sufficient for magnetic field sensors. Energy harvesters based on magnetoelectric composites are also intriguing concepts to capture various types of waste energy, in the form mechanical vibration, pressure, wind energy, hydrothermal and waste temperature.
36 MATERIALS SCIENCE↗
Transport and chaos in lattice Sachdev-Ye-Kitaev models
We compute the transport and chaos properties of lattices of quantum Sachdev-Ye-Kitaev islands coupled by single fermion hopping, and with the islands coupled to a large number of local, low energy phonons. Furthermore, we find two distinct regimes of linear-in-temperature (T) resistivity, and describe the crossover between them. When the electron-phonon coupling is weak, we obtain the “incoherent metal” regime, where there is near-maximal chaos with front propagation at a butterfly velocity v B , and the associated diffusivity D chaos = $v$$^{2}_{B}$/(2πT) closely tracks the energy diffusivity. On the other hand, when the electron-phonon coupling is strong, and the linear resistivity is largely due to near-elastic scattering of electrons off nearly free phonons, we find that the chaos is far from maximal and spreads diffusively. We also describe the crossovers to low T regimes where the electronic quasiparticles are well defined.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Dynamics of the two-spin spin-boson model with a common bath
Dynamics of the two-spin spin-boson model in the presence of Ohmic and sub-Ohmic baths is investigated by employing a multitude of the Davydov D{sub 1} trial states, also known as the multi-D{sub 1} Ansatz. Its accuracy in dynamics simulations of the two-spin SBM is improved significantly over the single D{sub 1} Ansatz, especially in the weak to moderately strong coupling regime. Validity of the multi-D{sub 1} Ansatz for various coupling strengths is also systematically examined by making use of the deviation vector which quantifies how faithfully the trial state obeys the Schrödinger equation. The time evolution of population difference and entanglement has been studied for various initial conditions and coupling strengths. Careful comparisons are carried out between our approach and three other methods, i.e., the time-dependent numerical renormalization group (TD-NRG) approach, the Bloch-Redfield theory, and a method based on a variational master equation. For strong coupling, the multi-D{sub 1} trial state yields consistent results as the TD-NRG approach in the Ohmic regime while the two disagree in the sub-Ohmic regime, where the multi-D{sub 1} trial state is shown to be more accurate. For weak coupling, the multi-D{sub 1} trial state agrees with the two master-equation methods in the presence of both Ohmic and sub-Ohmic baths, but shows considerable differences with the TD-NRG approach in the presence of a sub-Ohmic bath, calling into question the validity of the TD-NRG results at long times in the literature.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Photoinduced Magnetic Exchange-Jump Promotes Ground State Biradical Electron Spin Polarization
Photoinduced electron spin polarization (ESP) is reported in the electronic ground states of three Pt(II) complexes that are comprised of two S = ½ nitronyl nitroxide (NN) radicals attached through different length para-phenylethynyl bridges to the 3,6 positions of a catecholate (CAT, donor) and 4,4’-di-tert-butyl-2,2’-bipyridine (bpy, acceptor). Complexes 1-3 have from 17 to 41 bonds separating NN radicals, and display cw-EPR spectra consistent with |J NN-NN | >> |a N |, |J NN-NN | ≥ |a N |, and |J NN-NN | < |a N |, respectively, where J NN-NN is the magnetic exchange coupling between NN radicals in the electronic ground state, and a N is the isotropic 14 N hyperfine coupling constant. Light-induced transient EPR spectra characterized as enhanced ground-state absorption were observed for all three complexes using 532 nm pulsed laser excitation into the ligand-to-ligand charge transfer (LL’CT) band of the (CAT)Pt(bpy) chromophore. The magnitude of the observed ESP increases in the order 1 < 2 < 3 and is inversely correlated with the magnitude of ground-state J NN-NN . In addition to the experimental observation net absorptive polarization in 1-3, light excitation also produces multiplet polarization in 2. Since the weak dipolar coupling leads to strong spectral overlap of the absorptive and emissive components, the multiplet polarization is not observed in 1 and 3 and is very weak in 2. Here, the ability to spin polarize multiple radical spins with a single photon is anticipated to advance new photoinduced multi qubit/qudit ESP protocols for quantum information science applications.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Unraveling excitation energy transfer assisted by collective behaviors of vibrations
Abstract We investigate how collective behaviors of vibrations such as cooperativity and interference can enhance energy transfer in a nontrivial way, focusing on an example of a donor–bridge–acceptor trimeric chromophore system coupled to two vibrational degrees of freedom. Employing parameters selected to provide an overall uphill energy transfer from donor to acceptor, we use numerical calculations of dynamics in a coupled exciton–vibration basis, together with perturbation-based analytics and calculation of vibronic spectra, to identify clear spectral features of single- and multi-phonon vibrationally-assisted energy transfer (VAET) dynamics, where the latter include up to six-phonon contributions. We identify signatures of vibrational cooperation and interference that provide enhancement of energy transfer relative to that obtained from VAET with a single vibrational mode. We observe a phononic analogue of two-photon absorption, as well as a novel heteroexcitation mechanism in which a single phonon gives rise to simultaneous excitation of both the trimeric system and the vibrational degrees of freedom. The impacts of vibrations and of the one- and two-phonon VAET processes on the energy transfer are seen to be quite different in the weak and strong site–vibration coupling regimes. In the weak coupling regime, two-phonon processes dominate, whereas in the strong coupling regime up to six-phonon VAET processes can be induced. The VAET features are seen to be enhanced with increasing temperature and site–vibration coupling strength, and are reduced in the presence of dissipation. We analyze the dependence of these phenomena on the explicit form of the chromophore–vibration couplings, with comparison of VAET spectra for local and non-local couplings.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Distinct Mechanisms of Triplet Pair Decay in Amorphous and Crystalline Heteroacene Thin Films
Triplet pairs (TT) in crystalline molecular semiconductors have unique spin properties of interest for quantum information or enhancing solar photoconversion. The population and diffusion dynamics of TT have been the subject of recent studies, both in covalent dimers and in crystalline systems. Here, in this study, we monitor the triplet population in neat polycrystalline and amorphous films of a heteroacene with known TT spectral properties and tunable spin polarization depending on the intermolecular geometry. Transient measurements reveal an anomalous power dependence in polycrystalline films that we attribute to the fast diffusion and interaction of dissociated triplet pairs confined to one-dimensional stacks of strongly coupled molecules. The nongeminate triplet interaction after dephasing facilitates conversion to the triplet 3 TT and eventually T 1 +S 0 . Amorphous films have no power dependence and proceed directly from 1 TT to 3 TT and subsequently T 1 +S 0 via state mixing facilitated by nonparallel geometries and weak exchange coupling.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Magnetic coupling in ferromagnetic semiconductor (Ga,Mn)As/(Al,Ga,Mn)As bilayers
We report on a study of ferromagnetic semiconductor (Ga,Mn)As/(Al,Ga,Mn)As bilayers using magnetometry and polarized neutron reflectivity (PNR). From depth-resolved characterization of the magnetic structure obtained by PNR, we concluded that the (Ga,Mn)As and (Al,Ga,Mn)As layers have in-plane and perpendicular-to-plane magnetic easy axes, respectively, with weak interlayer coupling. Therefore, the layer magnetizations align perpendicular to each other under low magnetic fields and parallel at high fields.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Electronic Structure of IrO 2 : The Role of the Metal d Orbitals
IrO 2 is one of the most active catalysts for the oxygen evolution reaction (OER) and remains the only known stable OER catalyst in acidic conditions. As a first step in understanding the mechanism for OER we carried out detailed Density Functional Theory (DFT) studies of the electronic structure of IrO 2 . We compared the electronic states and magnetic properties of IrO 2 using several density functionals. We found that DFT with hybrid functionals (B3PW and PBE0) leads to a weak ferromagnetic coupling, although IrO 2 has often been reported as nonmagnetic. We also found a magnetic ground state for RuO 2 , whose electronic structure is similar to that of IrO 2 . Ru–Ru antiferromagnetic interaction has been observed experimentally in nanoparticle RuO 2 . Further low temperature measurements are necessary to confirm whether a weak magnetism may occur below 20 K in IrO 2 . We also found that PBE leads to a better agreement with the experimental XPS spectra, compared with hybrid functionals and PBE+U.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Light–matter interaction of a molecule in a dissipative cavity from first principles
Cavity-mediated light–matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non-perturbative, many-body electronic structure theory-based methods with cavity quantum electrodynamics and theories of open-quantum systems. Here, we generalize quantum-electrodynamical density functional theory to account for dissipative dynamics of the cavity and describe coupled cavity–single molecule interactions in the weak-to-strong-coupling regimes. Specifically, to establish this generalized technique, we study excited-state dynamics and spectral responses of benzene and toluene under weak-to-strong light–matter coupling. By tuning the coupling, we achieve cavity-mediated energy transfer between electronically excited states. This generalized ab initio quantum-electrodynamical density functional theory treatment can be naturally extended to describe cavity-mediated interactions in arbitrary electromagnetic environments, accessing correlated light–matter observables and thereby closing the gap between electronic structure theory, quantum optics, and nanophotonics.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗