Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach

The electronic properties of liquid ammonia are investigated by a sequential molecular dynamics/quantum mechanics approach. Quantum mechanics calculations for the liquid phase are based on a reparametrized hybrid exchange-correlation functional that reproduces the electronic properties of ammonia clusters [(NH(3))(n); n=1-5]. For these small clusters, electron binding energies based on Green's function or electron propagator theory, coupled cluster with single, double, and perturbative triple excitations, and density functional theory (DFT) are compared. Reparametrized DFT results for the dipole moment, electron binding energies, and electronic density of states of liquid ammonia are reported. The calculated average dipole moment of liquid ammonia (2.05 +/- 0.09 D) corresponds to an increase of 27% compared to the gas phase value and it is 0.23 D above a prediction based on a polarizable model of liquid ammonia [Deng , J. Chem. Phys. 100, 7590 (1994)]. Our estimate for the ionization potential of liquid ammonia is 9.74 +/- 0.73 eV, which is approximately 1.0 eV below the gas phase value for the isolated molecule. The theoretical vertical electron affinity of liquid ammonia is predicted as 0.16 +/- 0.22 eV, in good agreement with the experimental result for the location of the bottom of the conduction band (-V(0)=0.2 eV). Vertical ionization potentials and electron affinities correlate with the total dipole moment of ammonia aggregates. (c) 2008 American Institute of Physics.

Entanglement and classical instabilities: Fingerprints of electron-hole-to-exciton phase transition in a simple model

We propose a schematic model to study the formation of excitons in bilayer electron systems. The phase transition is signalized both in the quantum and classical versions of the model. In the present contribution we show that not only the quantum ground state but also higher energy states, up to the energy of the corresponding classical separatrix orbit, ""sense"" the transition. We also show two types of one-to-one correspondences in this system: On the one hand, between the changes in the degree of entanglement for these low-lying quantum states and the changes in the density of energy levels; on the other hand, between the variation in the expected number of excitons for a given quantum state and the behavior of the corresponding classical orbit.

Microwave Zero-Resistance States in a Bilayer Electron System

Magnetotransport measurements on a high-mobility electron bilayer system formed in a wide GaAs quantum well reveal vanishing dissipative resistance under continuous microwave irradiation. Profound zero-resistance states (ZRS) appear even in the presence of additional intersubband scattering of electrons. We study the dependence of photoresistance on frequency, microwave power, and temperature. Experimental results are compared with a theory demonstrating that the conditions for absolute negative resistivity correlate with the appearance of ZRS.

Quantum Hall Effect near the Charge Neutrality Point in a Two-Dimensional Electron-Hole System

We study the transport properties of HgTe-based quantum wells containing simultaneously electrons and holes in a magnetic field B. At the charge neutrality point (CNP) with nearly equal electron and hole densities, the resistance is found to increase very strongly with B while the Hall resistivity turns to zero. This behavior results in a wide plateau in the Hall conductivity sigma(xy) approximate to 0 and in a minimum of diagonal conductivity sigma(xx) at nu = nu(p) - nu(n) = 0, where nu(n) and nu(p) are the electron and hole Landau level filling factors. We suggest that the transport at the CNP point is determined by electron-hole ""snake states'' propagating along the nu = 0 lines. Our observations are qualitatively similar to the quantum Hall effect in graphene as well as to the transport in a random magnetic field with a zero mean value.

Anelastic spectroscopy study of the metal-insulator transition of Nd(1-x)Eu(x)NiO(3)

Measurements are presented of the complex dynamic Young's modulus of NdNiO(3) and Nd(0.65)Eu(0.35)NiO(3) through the metal-insulator transition (MIT). Upon cooling, the modulus presents a narrow dip at the MIT followed by an abrupt stiffening of similar to 6%. The anomaly is reproducible between cooling and heating in Nd(0.65)Eu(0.35)NiO(3) but appears only as a slow stiffening during cooling in undoped NdNiO(3), in conformance with the fact that the MIT in RNiO(3) changes from strongly first order to second order when the mean R size is decreased. The elastic anomaly seems not to be associated with the antiferromagnetic transition, which is distinct from the MIT in Nd(0.65)Eu(0.35)NiO(3). It is concluded that the steplike stiffening is due to the disappearance or freezing of dynamic Jahn-Teller (JT) distortions through the MIT, where the JT active Ni(3+) is disproportionated into alternating Ni(3+delta) and Ni(3-delta). The fluctuating octahedral JT distortion necessary to justify the observed jump in the elastic modulus is estimated as similar to 3% but does not have a role in determining the MIT, since the otherwise-expected precursor softening is not observed.

Optical second harmonic generation in the centrosymmetric magnetic semiconductors EuTe and EuSe

The magnetic europium chalcogenide semiconductors EuTe and EuSe are investigated by the spectroscopy of second harmonic generation (SHG) in the vicinity of the optical band gap formed by transitions involving the 4f and 5d electronic orbitals of the magnetic Eu(2+) ions. In these materials with centrosymmetric crystal lattice the electric-dipole SHG process is symmetry forbidden so that no signal is observed in zero magnetic field. Signal appears, however, in applied magnetic field with the SHG intensity being proportional to the square of magnetization. The magnetic field and temperature dependencies of the induced SHG allow us to introduce a type of nonlinear optical susceptibility determined by the magnetic-dipole contribution in combination with a spontaneous or induced magnetization. The experimental results can be described qualitatively by a phenomenological model based on a symmetry analysis and are in good quantitative agreement with microscopic model calculations accounting for details of the electronic energy and spin structure.

Crossover between distinct mechanisms of microwave photoresistance in bilayer systems

We report on temperature-dependent magnetoresistance measurements in balanced double quantum wells exposed to microwave irradiation for various frequencies. We have found that the resistance oscillations are described by the microwave-induced modification of electron distribution function limited by inelastic scattering (inelastic mechanism), up to a temperature of T*similar or equal to 4 K. With increasing temperature, a strong deviation of the oscillation amplitudes from the behavior predicted by this mechanism is observed, presumably indicating a crossover to another mechanism of microwave photoresistance, with similar frequency dependence. Our analysis shows that this deviation cannot be fully understood in terms of contribution from the mechanisms discussed in theory.

Magnetoresistance oscillations in multilayer systems: Triple quantum wells

Magnetoresistance of two-dimensional electron systems with several occupied subbands oscillates owing to periodic modulation of the probability of intersubband transitions by the quantizing magnetic field. In addition to previous investigations of these magnetointersubband (MIS) oscillations in two-subband systems, we report on both experimental and theoretical studies of such a phenomenon in three-subband systems realized in triple quantum wells. We show that the presence of more than two subbands leads to a qualitatively different MIS oscillation picture, described as a superposition of several oscillating contributions. Under a continuous microwave irradiation, the magnetoresistance of triple-well systems exhibits an interference of MIS oscillations and microwave-induced resistance oscillations. The theory explaining these phenomena is presented in the general form, valid for an arbitrary number of subbands. A comparison of theory and experiment allows us to extract temperature dependence of quantum lifetime of electrons and to confirm the applicability of the inelastic mechanism of microwave photoresistance for the description of magnetotransport in multilayer systems.

Depth-dependent local structures in thin films unraveled by grazing-incidence X-ray absorption spectroscopy

A method of using X-ray absorption spectroscopy together with resolved grazing-incidence geometry for depth profiling of atomic, electronic or chemical local structures in thin films is presented. The quantitative deconvolution of thickness-dependent spectral features is performed by fully considering both scattering and absorption formalisms. Surface oxidation and local structural depth profiles in nanometric FePt films are determined, exemplifying the application of the method.

Emergent and reentrant fractional quantum Hall effect in trilayer systems in a tilted magnetic field

Magnetotransport measurements in triple-layer electron systems with high carrier density reveal fractional quantum Hall effect at total filling factors nu>2. With an in-plane magnetic field we are able to control the suppression of interlayer tunneling which causes a collapse of the integer quantum Hall plateaus at nu=2 and nu=4, and an emergence of fractional quantum Hall states with increasing tilt angles. The nu=4 state is replaced by three fractional quantum Hall states with denominator 3. The state nu=7/3 demonstrates reentrant behavior and the emergent state at nu=12/5 has a nonmonotonic behavior with increasing in-plane field. We attribute the observed fractional quantum Hall plateaus to correlated states in a trilayer system.

Classical and quantum magnetoresistance in a two-subband electron system

We observe a large positive magnetoresistance in a bilayer electron system (double quantum well) as the latter is driven by the external gate from double to single layer configuration. Both classical and quantum contributions to magnetotransport are found to be important for explanation of this effect. We demonstrate that these contributions can be separated experimentally by studying the magnetic-field dependence of the resistance at different gate voltages. The experimental results are analyzed and described by using the theory of low-field magnetotransport in the systems with two occupied subbands.

Nonlinear transport and oscillating magnetoresistance in double quantum wells

The nonlinear regime of low-temperature magnetoresistance of double quantum wells in the region of magnetic fields below 1 T is studied both experimentally and theoretically. The observed inversion of the magnetointersubband oscillation peaks with increasing electric current and splitting of these peaks are described by the theory based on the kinetic equation for the isotropic nonequilibrium part of electron distribution function. The inelastic-scattering time of electrons is determined from the current dependence of the inversion field.

Antilocalization of hole carriers in Pb(1-x)Eu(x)Te alloys in the metallic regime

Magnetoresistance measurements in p-type Pb(1-x)Eu(x)Te alloys, for x varying from 0% up to 5%, have been used to investigate localization and antilocalization effects. These are attributed to both the spin-orbit scattering and to the large Zeeman splitting present in these alloys due to the large values of the effective Lande g factor. The magnetoresistance curves are analyzed using the model of Fukuyama and Hoshino, which takes into account the spin-orbit and Zeeman scattering mechanisms. The spin-orbit scattering time is found to be independent of the temperature, while the inelastic-scattering time increases with decreasing temperature suggesting the electron-phonon interaction as the main scattering mechanism.

Interlayer interference in double wells in a tilted magnetic field

Magnetotransport measurements on bilayer electron systems reveal repeated reentrance of the resistance minima at filling factors nu=4N+1 and nu=4N+3, where N is the Landau index number, in the tilted magnetic field. At high filling factors, the Shubnikov-de Haas oscillations exhibit beating effects at certain tilt angles. We attribute such behavior to oscillations of the tunneling gap due to Aharonov-Bohm interference effect between cyclotron orbits in different layers. The interplay between quantum and quasiclassical regimes is established.

Anomalous dephasing scattering rate of two-dimensional electrons in double quantum well structures

The results on the measurement of electrical conductivity and magnetoconductivity of a GaAs double quantum well between 0.5 and 1.1 K are reported. The zero magnetic-field conductivity is well described from the point of view of contributions made by both the weak localization and electron-electron interaction. At low field and low temperature, the magnetoconductivity is dominated by the weak localization effect only. Using the weak localization method, we have determined the electron dephasing times tau(phi) and tunneling times tau(t). Concerning tunneling, we concluded that tau(t) presents a minimum around the balance point; concerning dephasing, we observed an anomalous dependence on temperature and conductivity (or elastic mean free path) of tau(phi). This anomalous behavior cannot be explained in terms of the prevailing concepts for the electron-electron interaction in high-mobility two-dimensional electron systems.