Search Results - "EGUILUZ, A. G"

Ab initio studies on the interplay between spin-orbit interaction and Coulomb correlation in Sr2IrO4 and Ba2IrO4 by Arita, R, Kuneš, J, Kozhevnikov, A V, Eguiluz, A G, Imada, M

“…Ab initio analyses of A(2)IrO(4) (A=Sr,Ba) are presented. Effective Hubbard-type models for Ir 5d t(2g) manifolds downfolded from the global band structure are…”
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Electron-hole and plasmon excitations in 3d transition metals : Ab initio calculations and inelastic x-ray scattering measurements by GURTUBAY, I. G, PITARKE, J. M, WEI KU, EGUILUZ, A. G, LARSON, B. C, TISCHLER, J, ZSCHACK, P, FINKELSTEIN, K. D

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Interplay between inelastic X-ray scattering and ab initio density-response calculations: Insight into the electronic correlations in aluminum by Tischler, J. Z., Larson, B. C., Zschack, P., Fleszar, A., Eguiluz, A. G.

“…Inelastic X‐ray scattering (IXS) measurements on Al have been analyzed in conjunction with ab initio, time‐dependent density functional theory (TDDFT)…”
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Large crystal local-field effects in the dynamical structure factor of rutile TiO2 by GURTUBAY, I. G, WEI KU, PITARKE, J. M, EGUILUZ, A. G, LARSON, B. C, TISCHLER, J, ZSCHACK, P

“…We present ab initio time-dependent density-functional calculations and nonresonant inelastic x-ray scattering measurements of the dynamical structure factor…”
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Nonresonant inelastic x-ray scattering and energy-resolved Wannier function investigation of d-d excitations in NiO and CoO by Larson, B C, Ku, Wei, Tischler, J Z, Lee, Chi-Cheng, Restrepo, O D, Eguiluz, A G, Zschack, P, Finkelstein, K D

“…Nonresonant inelastic x-ray scattering measurements on NiO and CoO show that strong dipole-forbidden d-d excitations appear within the Mott gap at large wave…”
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Effects of the crystal structure in the dynamical electron density-response of hcp transition metals by Gurtubay, I.G., Ku, Wei, Pitarke, J.M., Eguiluz, A.G.

“…We present an all-electron study of the dynamical density-response function of hexagonal close-packed transition metals Sc and Ti. We elucidate various aspects…”
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First-principles evaluation of the surface barrier for a Kohn-Sham electron at a metal surface by EGUILUZ, A. G, HEINRICHSMEIER, M, FLESZAR, A, HANKE, W

“…The popular local-density approximation neglects long-range correlations which, in the presence of the rapid rate of change of the electron density at the…”
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Electron–hole excitations in NiO: LSDA+U-based calculations vs. inelastic X-ray scattering and ellipsometry measurements by Eguiluz, A.G., Restrepo, O.D., Larson, B.C., Tischler, J.Z., Zschack, P., Jellison, G.E.

“…The performance of the LSDA+U functional—in particular, the quality of the ground-state—is tested via calculations of the electron–hole excitations of NiO,…”
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Elementary excitations in alkali-metal overlayers probed by electron-energy-loss spectroscopy : quantum-mechanical effects by GASPAR, J. A, EGUILUZ, A. G, TSUEI, K.-D, PLUMMER, E. W

“…The spectrum of electronic excitations of Na and potassium overlayers adsorbed on Al(111) has been studied by means of electron-energy-loss-spectroscopy…”
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Low-energy charge-density excitations in MgB2: Striking interplay between single-particle and collective behavior for large momenta by Cai, Y Q, Chow, P C, Restrepo, O D, Takano, Y, Togano, K, Kito, H, Ishii, H, Chen, C C, Liang, K S, Chen, C T, Tsuda, S, Shin, S, Kao, C C, Ku, W, Eguiluz, A G

“…A sharp feature in the charge-density excitation spectra of single-crystal MgB2, displaying a remarkable cosinelike, periodic energy dispersion with momentum…”
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Electronic stopping power of periodic crystals by Campillo, I, Pitarke, J.M, Eguiluz, A.G, Garcı́a, Alberto

“…The electronic stopping power suffered by ions penetrating periodic crystals is investigated within linear response theory. A full treatment of the dynamical…”
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Self-consistent-screening calculation of surface-phonon dispersion curves at the (110) surface of aluminum by EGUILUZ, A. G, MARADUDIN, A. A, WALLIS, R. F

“…The dynamical matrix for an Al slab bounded by a pair of (110) surfaces using a self-consistent implementation of pseudopotential perturbation theory has been…”
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Resonances in the surface-phonon spectrum of an sp-bonded metal by GASPAR, J. A, EGUILUZ, A. G, GESTER, M, LOCK, A, TOENNIES, J. P

“…Helium-atom time-of-flight measurements, and microscopic calculations of surface-phonon spectral densities and dispersion curves are reported, revealing the…”
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Ab initio investigation of collective charge excitations in MgB2 by Ku, Wei, Pickett, W E, Scalettar, R T, Eguiluz, A G

“…A sharp collective charge excitation is predicted in MgB2 at approximately 2.5 eV for q perpendicular to the boron layers, based on an all-electron analysis of…”
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Self-consistent static-density-response function of a metal surface in density-functional theory by EGUILUZ, A. G

“…The static-linear-density-response function of the conduction electrons in a metal slab in a self-consistent-field approximation derived from…”
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First-principles evaluation of dynamical response and plasmon dispersion in metals by QUONG, A. A, EGUILUZ, A. G

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Comment on "Why is the bandwidth of sodium observed to be narrower in photoemission Experiments?" by Ku, W, Eguiluz, AG, Plummer, EW

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Dynamical response of correlated electrons in solids probed by inelastic scattering experiments: an ab initio theoretical perspective by Eguiluz, A.G., Ku, W., Sullivan, J.M.

“…We present results of ab initio theoretical investigations of the excitation spectra of correlated electrons in metals (Al, K, and Li) and their interplay with…”
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Band-Structure and Many-Body Effects in the Dynamical Response of Aluminum Metal by Fleszar, A, Quong, AA, Eguiluz, AG

“…For many years, efforts to explain a double peak observed in the dynamical structure factor S(q; omega ) of aluminum)an archetype of jellium electronic…”
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Atomically resolved spectroscopic study of Sr2IrO4: Experiment and theory by Li, Qing, Cao, Guixin, Okamoto, Satoshi, Yi, Jieyu, Lin, Wenzhi, Sales, Brian C., Yan, Jiaqiang, Arita, Ryotaro, Kuneš, Jan, Kozhevnikov, Anton V., Eguiluz, Adolfo G., Imada, Masatoshi, Gai, Zheng, Pan, Minghu, Mandrus, David G.

“…Particularly in Sr 2 IrO 4 , the interplay between spin-orbit coupling, bandwidth and on-site Coulomb repulsion stabilizes a J eff = 1/2 spin-orbital entangled…”
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