Search Results - "Barbiellini, B."

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional by Buda, I. G., Lane, C., Barbiellini, B., Ruzsinszky, A., Sun, J., Bansil, A.

“…We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films…”
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Anomalous intense coherent secondary photoemission from a perovskite oxide by Hong, Caiyun, Zou, Wenjun, Ran, Pengxu, Tanaka, K., Matzelle, M., Chiu, Wei-Chi, Markiewicz, R. S., Barbiellini, B., Zheng, Changxi, Li, Sheng, Bansil, Arun, He, Rui-Hua

“…Photocathodes—materials that convert photons into electrons through a phenomenon known as the photoelectric effect—are important for many modern technologies…”
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Engendering anion immunity in oxygen consuming cathodes based on Fe-Nx electrocatalysts: Spectroscopic and electrochemical advanced characterizations by Tylus, U., Jia, Q., Hafiz, H., Allen, R.J., Barbiellini, B., Bansil, A., Mukerjee, S.

“…[Display omitted] •Non-PGM ORR catalysts with Fe-Nx active centers.•Experimental and theoretical insights into Fe-Nx centers as active sites and their…”
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Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation by Chirayath, V. A., Callewaert, V., Fairchild, A. J., Chrysler, M. D., Gladen, R. W., Mcdonald, A. D., Imam, S. K., Shastry, K., Koymen, A. R., Saniz, R., Barbiellini, B., Rajeshwar, K., Partoens, B., Weiss, A. H.

“…Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary…”
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Explaining the x-ray nonlinear susceptibility of diamond and silicon near absorption edges by Barbiellini, B., Joly, Y., Tamasaku, Kenji

“…We report the observation and the theoretical explanation of the parametric down-conversion nonlinear susceptibility at the K-absorption edge of diamond and at…”
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Positronium emission spectra from self-assembled metal-organic frameworks by Crivelli, P., Cooke, D., Barbiellini, B., Brown, B. L., Feldblyum, J. I., Guo, P., Gidley, D. W., Gerchow, L., Matzger, A. J.

“…Results of positronium (Ps) emission into vacuum from self-assembled metal-organic frameworks (MOFs) are presented and discussed in detail. Four different MOF…”
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Angle-Resolved Spectroscopy of Positronium Emission from a Cu(110) Surface by Jones, A C L, Rutbeck-Goldman, H J, Hisakado, T H, Piñeiro, A M, Tom, H W K, Mills, A P, Barbiellini, B, Kuriplach, J

“…The affinity A_{Ps} of positronium (Ps) atoms for a metal is the negative of the maximum kinetic energy with which Ps is emitted into vacuum when thermalized…”
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Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering by Barbiellini, B., Suzuki, K., Orikasa, Y., Kaprzyk, S., Itou, M., Yamamoto, K., Wang, Yung Jui, Hafiz, H., Yamada, R., Uchimoto, Y., Bansil, A., Sakurai, Y., Sakurai, H.

“…We discuss how x-ray Compton scattering spectra can be used for investigating the evolution of electronic states in cathode materials of Li batteries under the…”
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Importance of local band effects for ferromagnetism in hole-doped La2CuO4 cuprate superconductors by Barbiellini, B, Jarlborg, T

“…Band calculations for supercells of La((2-x))Ba(x)CuO(4) show that the rigid band model for doping is less adequate than what is commonly assumed. In…”
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Exactly soluble model of resonant energy transfer between molecules by King, C., Barbiellini, B., Moser, D., Renugopalakrishnan, V.

“…Forster's theory of resonant energy transfer (FRET) predicts the strength and range of exciton transport between separated molecules. We introduce an exactly…”
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Extracting the redox orbitals in Li battery materials with high-resolution x-ray compton scattering spectroscopy by Suzuki, K, Barbiellini, B, Orikasa, Y, Go, N, Sakurai, H, Kaprzyk, S, Itou, M, Yamamoto, K, Uchimoto, Y, Wang, Yung Jui, Hafiz, H, Bansil, A, Sakurai, Y

“…We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution…”
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Imaging Doped Holes in a Cuprate Superconductor with High-Resolution Compton Scattering by Sakurai, Y., Itou, M., Barbiellini, B., Mijnarends, P. E., Markiewicz, R. S., Kaprzyk, S., Gillet, J.-M., Wakimoto, S., Fujita, M., Basak, S., Wang, Yung Jui, Al-Sawai, W., Lin, H., Bansil, A., Yamada, K.

“…The high-temperature superconducting cuprate La 2−x Sr x CuO₄ (LSCO) shows several phases ranging from antiferromagnetic insulator to metal with increasing…”
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Muonium emission into vacuum from mesoporous thin films at cryogenic temperatures by Antognini, A, Crivelli, P, Prokscha, T, Khaw, K S, Barbiellini, B, Liszkay, L, Kirch, K, Kwuida, K, Morenzoni, E, Piegsa, F M, Salman, Z, Suter, A

“…We report on muonium (Mu) emission into vacuum following μ(+) implantation in mesoporous thin SiO(2) films. We obtain a yield of Mu into vacuum of (38±4)% at…”
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Pressure-dependent electronic properties of MgO polymorphs: a first-principles study of Compton profiles and autocorrelation functions by Joshi, K. B., Sharma, B. K., Paliwal, U., Barbiellini, B.

“…The first-principles periodic linear combination of atomic orbitals method within the framework of density functional theory implemented in the CRYSTAL06 code…”
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Auger-mediated sticking of positrons to surfaces: evidence for a single-step transition from a scattering state to a surface image potential bound state by Mukherjee, S, Nadesalingam, M P, Guagliardo, P, Sergeant, A D, Barbiellini, B, Williams, J F, Fazleev, N G, Weiss, A H

“…We present the observation of an efficient mechanism for positron sticking to surfaces termed here Auger-mediated sticking. In this process the energy…”
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Covalency of the Hydrogen Bond in Ice: A Direct X-Ray Measurement by Isaacs, E. D., Shukla, A., Platzman, P. M., Hamann, D. R., Barbiellini, B., Tulk, C. A.

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Visualizing the mixed bonding properties of liquid boron with high-resolution x-ray Compton scattering by Okada, J T, Sit, P H-L, Watanabe, Y, Barbiellini, B, Ishikawa, T, Wang, Y J, Itou, M, Sakurai, Y, Bansil, A, Ishikawa, R, Hamaishi, M, Paradis, P-F, Kimura, K, Ishikawa, T, Nanao, S

“…Bonding characteristics of liquid boron at 2500 K are studied by using high-resolution Compton scattering. An excellent agreement is found between the…”
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A Minimal tight-binding model for ferromagnetic canted bilayer manganites by Baublitz, M., Lane, C., Lin, Hsin, Hafiz, Hasnain, Markiewicz, R. S., Barbiellini, B., Sun, Z., Dessau, D. S., Bansil, A.

“…Half-metallicity in materials has been a subject of extensive research due to its potential for applications in spintronics. Ferromagnetic manganites have been…”
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Physisorption of positronium on quartz surfaces by Saniz, R, Barbiellini, B, Platzman, P M, Freeman, A J

“…Whether positronium (Ps) can be physisorbed on a material surface is of great fundamental interest, since it can lead to new insight regarding quantum sticking…”
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Minority-spin t2g states and the degree of spin polarization in ferromagnetic metallic La2-2xSr1+2xMn2O7 (x = 0.38) by Sun, Z, Wang, Q, Douglas, J F, Lin, H, Sahrakorpi, S, Barbiellini, B, Markiewicz, R S, Bansil, A, Fedorov, A V, Rotenberg, E, Zheng, H, Mitchell, J F, Dessau, D S

“…A half-metal is a material with conductive electrons of one spin orientation. This type of substance has been extensively searched for due to the fascinating…”
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