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Register a new userContinuous Compressed Sensing of Inelastic and Quasielastic Helium Atom Scattering Spectra
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Helium atom scattering (HAS) is a well established technique for examining the surface structure and dynamics of materials at atomic sized resolution. The HAS technique Helium spin-echo spectroscopy opens up the possibility of compressing the data acquisition process. Compressed sensing (CS) methods demonstrating the compressibility of spin-echo spectra are presented. In addition, wavelet based CS approximations, founded on a new continuous CS approach, are used to construct continuous spectra that are compatible with variable transformations to the energy/momentum transfer domain. Moreover, recent developments on structured multilevel sampling that are empirically and theoretically shown to substantially improve upon the state of the art CS techniques are implemented. These techniques are demonstrated on several examples including phonon spectra from a gold surface.
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We have carried out a series of helium atom scattering measurements in order to characterise the adsorption properties of hydrogen on antimony(111). Molecular hydrogen does not adsorb at temperatures above 110 K in contrast to pre-dissociated atomic hydrogen. Depending on the substrate temperature, two different adlayer phases of atomic hydrogen on Sb(111) occur. At low substrate temperatures ($110~$K), the deposited hydrogen layer does not show any ordering while we observe a perfectly ordered $(1times 1)$ H/Sb(111) structure for deposition at room temperature. Furthermore, the amorphous hydrogen layer deposited at low temperature forms an ordered overlayer upon heating the crystal to room temperature. Hydrogen starts to desorb at $T_m = 430~$K which corresponds to a desorption energy of $E_{des}=(1.33pm0.06)~$eV. Using measurements of the helium reflectivity during hydrogen exposure at different surface temperatures, we conclude that the initial sticking coefficient of atomic hydrogen on Sb(111) decreases with increasing surface temperature. Furthermore, the scattering cross section for the diffuse scattering of helium from hydrogen on Sb(111) is determined as $Sigma = (12 pm 1)~mbox{AA}^{2}$.
He atom scattering has been demonstrated to be a sensitive probe of the electron-phonon interaction parameter $lambda$ at metal and metal-overlayer surfaces. Here it is shown that the theory linking $lambda$ to the thermal attenuation of atom scattering spectra (the Debye-Waller factor), can be applied to topological semimetal surfaces, like the quasi-one dimensional charge-density-wave system Bi(114) and the layered pnictogen chalcogenides.
We have studied the topological insulator Bi$_2$Te$_3$(111) by means of helium atom scattering. The average electron-phonon coupling $lambda$ of Bi$_2$Te$_3$(111) is determined by adapting a recently developed quantum-theoretical derivation of the helium scattering probabilities to the case of degenerate semiconductors. Based on the Debye-Waller attenuation of the elastic diffraction peaks of Bi$_2$Te$_3$(111), measured at surface temperatures between $110~mbox{K}$ and $355~mbox{K}$, we find $lambda$ to be in the range of $0.04-0.11$. This method allows to extract a correctly averaged $lambda$ and to address the discrepancy between previous studies. The relatively modest value of $lambda$ is not surprising even though some individual phonons may provide a larger electron-phonon interaction. Furthermore, the surface Debye temperature of Bi$_2$Te$_3$(111) is determined as ${rm Theta}_D = (81pm6)~mbox{K}$. The electronic surface corrugation was analysed based on close-coupling calculations. By using a corrugated Morse potential a peak-to-peak corrugation of 9% of the lattice constant is obtained.
The need to perform quantum state tomography on ever larger systems has spurred a search for methods that yield good estimates from incomplete data. We study the performance of compressed sensing (CS) and least squares (LS) estimators in a fast protocol based on continuous measurement on an ensemble of cesium atomic spins. Both efficiently reconstruct nearly pure states in the 16-dimensional ground manifold, reaching average fidelities FCS = 0.92 and FLS = 0.88 using similar amounts of incomplete data. Surprisingly, the main advantage of CS in our protocol is an increased robustness to experimental imperfections.
Lattice dynamics and high pressure phase transitions in AWO4 (A = Ba, Sr, Ca and Pb) have been investigated using inelastic neutron scattering experiments, ab-initio density functional theory calculations and extensive molecular dynamics simulations. The vibrational modes that are internal to WO4 tetrahedra occur at the highest energies consistent with the relative stability of WO4 tetrahedra. The neutron data and the ab-initio calculations are found to be in excellent agreement. The neutron and structural data are used to develop and validate an interatomic potential model. The model is used for classical molecular dynamics simulations to study their response to high pressure. We have calculated the enthalpies of the scheelite and fergusonite phases as a function of pressure, which confirms that the scheelite to fergusonite transition is second order in nature. With increase in pressure, there is a gradual change in the AO8 polyhedra, while there is no apparent change in the WO4 tetrahedra. We found that that all the four tungstates amorphize at high pressure. This is in good agreement with available experimental observations which show amorphization at around 45 GPa in BaWO4 and 40 GPa in CaWO4. On amorphization, there is an abrupt increase in the coordination of the W atom while the bisdisphenoids around A atom are considerably distorted. The pair correlation functions of the various atom pairs corroborate these observations. Our observations aid in predicting the pressure of amorphization in SrWO4 and PbWO4, which have not been experimentally reported.
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