Spectroscopic properties of oxygen vacancies in LaAlO3

Oxygen vacancies in LaAlO3 (LAO) play an important role in the formation of the two-dimensional electron gas observed at the LaAlO3/SrTiO3 interface and affect the performance of MOSFETs using LAO as a gate dielectric. However, their spectroscopic properties are still poorly understood, which hampers their experimental identification. Here we predict the absorption spectra and ESR parameters of oxygen vacancies in LAO using periodic and embedded cluster methods and density functional theory (DFT). The structure, charge distribution, and spectroscopic properties of the neutral and charged (1+ and 2+) oxygen vacancies in cubic and rhombohedral LaAlO3 are investigated. The highest intensity optical transitions [calculated using time-dependent DFT (TDDFT)], from the oxygen vacancy states to the conduction-band states have onsets at 3.5 and 4.2 eV for the neutral vacancy and 3.6 eV for the 1+ charged vacancy in rhombohedral LAO and 3.3 and 4.0 eV for the neutral vacancy and 3.4 eV for the 1+ charged vacancy in cubic LAO, respectively. Also reported are the isotropic g value (2.004026) and hyperfine coupling constants of the 1+ charged oxygen vacancy, which are compared to the experimental data obtained using electron spin resonance (ESR) spectroscopy, and accurately predict both the position and the width (3 mT) of its ESR signature. These results may further facilitate the experimental identification of oxygen vacancies in LAO and help to establish their role at the LAO/STO interfaces and in nanodevices using LAO

Effects of disorder on coexistence and competition between superconducting and insulating states

We study effects of nonmagnetic impurities on the competition between the superconducting and electron-hole pairing. We show that disorder can result in coexistence of these two types of ordering in a uniform state, even when in clean materials they are mutually exclusive.Comment: 11 pages, 6 eps figures; added affiliation; published versio

Magnetocapacitance in Nonmagnetic Composite Media

The dielectric response in a magnetic field is routinely used to probe the existence of coupled magnetic and elastic order in the multiferroics. However, here we demonstrate that magnetism is not necessary to produce a magnetocapacitance when the material is inhomogeneous. By considering a two-dimensional, two-component composite medium, we find a characteristic dielectric resonance that depends on magnetic field. We propose this as a possible signature of inhomogeneities and we argue that this behavior has already been observed in nanoporous silicon and some manganites

Excitonic binding in coupled quantum wells

We study excitonic states in the presence of applied electric field in 8-nm GaAs coupled quantum wells (QW’s) separated by a 4-nm Al0.33Ga0.67As barrier and in 6-nm In0.1Ga0.9As coupled QW’s separated by a 4-nm GaAs barrier in which effects attributed to macroscopically ordered excitonic states have been recently reported. We discuss the differences in the nature of the states and in the origin of confinement which determines the change of excitonic properties with increase in the applied electric field in both structures. We have found that the indirect exciton binding energy for the field amplitude used in the experiment with InGaAs QW’s is around 3.5 meV, much less than the previously reported 10 meV value. This suggests that the optically induced ring structure, reported to persist to near 100 K, might not be caused by collective excitonic transport

Phase diagram of bismuth in the extreme quantum limit

Elemental bismuth provides a rare opportunity to explore the fate of a three-dimensional gas of highly mobile electrons confined to their lowest Landau level. Coulomb interaction, neglected in the band picture, is expected to become significant in this extreme quantum limit with poorly understood consequences. Here, we present a study of the angular-dependent Nernst effect in bismuth, which establishes the existence of ultraquantum field scales on top of its complex single-particle spectrum. Each time a Landau level crosses the Fermi level, the Nernst response sharply peaks. All such peaks are resolved by the experiment and their complex angular-dependence is in very good agreement with the theory. Beyond the quantum limit, we resolve additional Nernst peaks signaling a cascade of additional Landau sub-levels caused by electron interaction

Powerlaw optical conductivity with a constant phase angle in high Tc superconductors

In certain materials with strong electron correlations a quantum phase transition (QPT) at zero temperature can occur, in the proximity of which a quantum critical state of matter has been anticipated. This possibility has recently attracted much attention because the response of such a state of matter is expected to follow universal patterns defined by the quantum mechanical nature of the fluctuations. Forementioned universality manifests itself through power-law behaviours of the response functions. Candidates are found both in heavy fermion systems and in the cuprate high Tc superconductors. Although there are indications for quantum criticality in the cuprate superconductors, the reality and the physical nature of such a QPT are still under debate. Here we identify a universal behaviour of the phase angle of the frequency dependent conductivity that is characteristic of the quantum critical region. We demonstrate that the experimentally measured phase angle agrees precisely with the exponent of the optical conductivity. This points towards a QPT in the cuprates close to optimal doping, although of an unconventional kind.Comment: pdf format, 9 pages, 4 color figures include

Quantum and classical criticality in a dimerized quantum antiferromagnet

A quantum critical point (QCP) is a singularity in the phase diagram arising due to quantum mechanical fluctuations. The exotic properties of some of the most enigmatic physical systems, including unconventional metals and superconductors, quantum magnets, and ultracold atomic condensates, have been related to the importance of the critical quantum and thermal fluctuations near such a point. However, direct and continuous control of these fluctuations has been difficult to realize, and complete thermodynamic and spectroscopic information is required to disentangle the effects of quantum and classical physics around a QCP. Here we achieve this control in a high-pressure, high-resolution neutron scattering experiment on the quantum dimer material TlCuCl3. By measuring the magnetic excitation spectrum across the entire quantum critical phase diagram, we illustrate the similarities between quantum and thermal melting of magnetic order. We prove the critical nature of the unconventional longitudinal ("Higgs") mode of the ordered phase by damping it thermally. We demonstrate the development of two types of criticality, quantum and classical, and use their static and dynamic scaling properties to conclude that quantum and thermal fluctuations can behave largely independently near a QCP.Comment: 6 pages, 4 figures. Original version, published version available from Nature Physics websit

Topological crystalline insulator states in Pb(1-x)Sn(x)Se

Topological insulators are a novel class of quantum materials in which time-reversal symmetry, relativistic (spin-orbit) effects and an inverted band structure result in electronic metallic states on the surfaces of bulk crystals. These helical states exhibit a Dirac-like energy dispersion across the bulk bandgap, and they are topologically protected. Recent theoretical proposals have suggested the existence of topological crystalline insulators, a novel class of topological insulators in which crystalline symmetry replaces the role of time-reversal symmetry in topological protection [1,2]. In this study, we show that the narrow-gap semiconductor Pb(1-x)Sn(x)Se is a topological crystalline insulator for x=0.23. Temperature-dependent magnetotransport measurements and angle-resolved photoelectron spectroscopy demonstrate that the material undergoes a temperature-driven topological phase transition from a trivial insulator to a topological crystalline insulator. These experimental findings add a new class to the family of topological insulators. We expect these results to be the beginning of both a considerable body of additional research on topological crystalline insulators as well as detailed studies of topological phase transitions.Comment: v2: published revised manuscript (6 pages, 3 figures) and supplementary information (5 pages, 8 figures

Direct measurement of antiferromagnetic domain fluctuations

Measurements of magnetic noise emanating from ferromagnets due to domain motion were first carried out nearly 100 years ago and have underpinned much science and technology. Antiferromagnets, which carry no net external magnetic dipole moment, yet have a periodic arrangement of the electron spins extending over macroscopic distances, should also display magnetic noise, but this must be sampled at spatial wavelengths of order several interatomic spacings, rather than the macroscopic scales characteristic of ferromagnets. Here we present the first direct measurement of the fluctuations in the nanometre-scale spin- (charge-) density wave superstructure associated with antiferromagnetism in elemental Chromium. The technique used is X-ray Photon Correlation Spectroscopy, where coherent x-ray diffraction produces a speckle pattern that serves as a "fingerprint" of a particular magnetic domain configuration. The temporal evolution of the patterns corresponds to domain walls advancing and retreating over micron distances. While the domain wall motion is thermally activated at temperatures above 100K, it is not so at lower temperatures, and indeed has a rate which saturates at a finite value - consistent with quantum fluctuations - on cooling below 40K. Our work is important because it provides an important new measurement tool for antiferromagnetic domain engineering as well as revealing a fundamental new fact about spin dynamics in the simplest antiferromagnet.Comment: 19 pages, 4 figure