Search Results - "Mazzarello, R"

Role of vacancies in metal–insulator transitions of crystalline phase-change materials by Zhang, W., Thiess, A., Zalden, P., Zeller, R., Dederichs, P. H., Raty, J-Y., Wuttig, M., Blügel, S., Mazzarello, R.

“…The study of metal–insulator transitions (MITs) in crystalline solids is a subject of paramount importance, both from the fundamental point of view and for its…”
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X-ray Diffraction and Computation Yield the Structure of Alkanethiols on Gold(111) by Cossaro, A, Mazzarello, R, Rousseau, R, Casalis, L, Verdini, A, Kohlmeyer, A, Floreano, L, Scandolo, S, Morgante, A, Klein, M.L, Scoles, G

“…The structure of self-assembled monolayers (SAMs) of long-chain alkyl sulfides on gold(111) has been resolved by density functional theory-based molecular…”
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Wave-function mapping of graphene quantum dots with soft confinement by Subramaniam, D, Libisch, F, Li, Y, Pauly, C, Geringer, V, Reiter, R, Mashoff, T, Liebmann, M, Burgdörfer, J, Busse, C, Michely, T, Mazzarello, R, Pratzer, M, Morgenstern, M

“…Using low-temperature scanning tunneling spectroscopy, we map the local density of states of graphene quantum dots supported on Ir(111). Because of a band gap…”
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Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements by Mazzarello, R, Cossaro, A, Verdini, A, Rousseau, R, Casalis, L, Danisman, M F, Floreano, L, Scandolo, S, Morgante, A, Scoles, G

“…We have investigated the controversy surrounding the (sqrt[3] x sqrt[3]) R30 degrees structure of self-assembled monolayers of methylthiolate on Au(111) by…”
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Phase-Change Materials for Neuromorphic Computing by Mazzarello, R.

“…Present-day computers based on the von Neumann architecture are becoming inadequate for data-centric applications, such as artificial intelligence and machine…”
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Interfacial Electrostatics of Self-Assembled Monolayers of Alkane Thiolates on Au(111):  Work Function Modification and Molecular Level Alignments by Rousseau, R, De Renzi, V, Mazzarello, R, Marchetto, D, Biagi, R, Scandolo, S, del Pennino, U

“…We have isolated at T < 150 K a weakly adsorbed dimethyl disulfide (DMDS) layer on Au(111) and studied how the vibrational states, S core hole level shifts,…”
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Ab initio study of Kr in hcp Ti: Diffusion, formation and stability of small Kr–vacancy clusters by Raji, A.T., Scandolo, S., Mazzarello, R., Nsengiyumva, S., Härting, M., Britton, D.T.

“…Ab initio electronic structure calculations have been performed to study the formation and migration of Kr impurities, and the stability of small Kr–vacancy…”
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First-principles study of magnetic interactions in 3d transition metal-doped phase-change materials by Fukushima, T, Katayama-Yoshida, H, Sato, K, Fujii, H, Rabel, E, Zeller, R, Dederichs, P H, Zhang, W, Mazzarello, R

“…Recently, magnetic phase-change materials have been synthesized experimentally by doping with 3d transition metal impurities. Here, we investigate the…”
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Aging mechanisms in amorphous phase-change materials by Raty, Jean Yves, Zhang, Wei, Luckas, Jennifer, Chen, Chao, Mazzarello, Riccardo, Bichara, Christophe, Wuttig, Matthias

“…Aging is a ubiquitous phenomenon in glasses. In the case of phase-change materials, it leads to a drift in the electrical resistance, which hinders the…”
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Solidification of hydrogen clusters including a foreign molecule by MAZZAREFLO, R, LEVI, A. C

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Solidification of hydrogen clusters by LEVI, A. C, MAZZARELLO, R

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Spin polarization transitions in the FQHE by Mariani, E., Mazzarello, R., Sassetti, M., Kramer, B.

“…The spin polarization of the FQHE ground states at fixed filling factors is analyzed within a composite fermion model. As a function of the perpendicular…”
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Comment on "new structural picture of the Ge 2Sb 2Te 5 phase-change alloy" by Raty, Jean-Yves, Bichara, C., Mazzarello, R., Rausch, P., Zalden, P., Wuttig, M.

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Comment on "New structural picture of the Ge2Sb2Te5 phase-change alloy" by Raty, Jean-Yves, Bichara, Christophe, Mazzarello, Riccardo, Rausch, Pascal, Zalden, Peter, Wuttig, Matthias

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Ah initio pseudopotential study of vacancies and self-interstitials in hep titanium by Raji, A T, Scandolo, S, Mazzarello, R, Nsengiyumva, S, Haerting, M, Britton, D T

“…By means of an ab initio plane-wave pseudopotential method, monovacancy, divacancy and self-interstitials in hcp titanium are investigated. The calculated…”
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An Effective Pseudopotential for Modeling Gold Surface Slabs for Ab Initio Simulations by Rousseau, Roger, Mazzarello, Riccardo, Scandolo, Sandro

“…Molecule/metal interfaces: An effective 1 e− Au pseudopotential has been developed and used in conjunction with the standard 11 e− pseudopotential to model…”
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Tails of the density of states in a random magnetic field by MAZZARELLO, Riccardo, KETTEMANN, Stefan, KRAMER, Bernhard

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Structure of a CH 3 S Monolayer on Au(111) Solved by the Interplay between Molecular Dynamics Calculations and Diffraction Measurements by Mazzarello, R., Cossaro, A., Verdini, A., Rousseau, R., Casalis, L., Danisman, M. F., Floreano, L., Scandolo, S., Morgante, A., Scoles, G.

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First-principles study of magnetic interactions in 3 d transition metal-doped phase-change materials by Fukushima, T., Katayama-Yoshida, H., Sato, K., Fujii, H., Rabel, E., Zeller, R., Dederichs, P. H., Zhang, W., Mazzarello, R.

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Discovering electron transfer driven changes in chemical bonding in lead chalcogenides (PbX, where X = Te, Se, S, O) by Maier, S, Steinberg, S, Cheng, Y, Schön, Carl-Friedrich, Schumacher, M, Mazzarello, R, Golub, P, Nelson, R, Cojocaru-Mirédin, O, Raty, J. -Y, Wuttig, M

“…Understanding the nature of chemical bonding in solids is crucial to comprehend the physical and chemical properties of a given compound. To explore changes in…”
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