List of Publications
Published in peer-reviewed journals (or in press)
- J.-Y. Raty, C. Bichara, R. Mazzarello, P. Rausch, P. Zalden, and M. Wuttig, Comment on "New structural picture of the Ge2Sb2Te5 phase-change alloy", Phys. Rev. Lett. (in press)
- Y. Li and R. Mazzarello, "Magnetic contrast in phase-change materials doped with Fe impurities", Adv. Mater. 24, 1429 (2012) [link to article]
- D. Subramaniam, F. Libisch, Y. Li, C. Pauly, V. Geringer, R. Reiter, T. Mashoff, M. Liebmann, J. Burgdoerfer, C. Busse, T. Michely, R. Mazzarello, M. Pratzer, and M. Morgenstern, "Wave function mapping of graphene quantum dots with soft confinement", Phys. Rev. Lett. 108, 046801 (2012) [link to article]
- A. T. Raji, R. Mazzarello, S. Scandolo, S. Nsengiyumva, M. Haerting, and D. T. Britton, "Defects in ion-implanted hcp-titanium: a first-principles study of electronic structures", Solid State Commun. 151, 1889 (2011) [link to article]
- S. Caravati, D. Colleoni, R. Mazzarello, T. D. Kuehne, M. Krack, M. Bernasconi, and M. Parrinello, "First principles study of nitrogen doping in cubic and amorphous Ge2Sb2Te5", J. Phys.: Condens. Matter 23, 265801 (2011) [link to article]
- G. C. Sosso, S. Caravati, R. Mazzarello, and M. Bernasconi, "Raman spectra of cubic and amorphous Ge2Sb2Te5 from first principles", Phys. Rev. B 83, 134201 (2011) [link to article]
- A. T. Raji, R. Mazzarello, S. Scandolo, S. Nsengiyumva, M. Haerting, and D. T. Britton, "Intrinsic defects and krypton impurity atoms in hcp-titanium: a first-principles study", Phys. Rev. B 83, 054120 (2011) [link to article]
- J. J. Panek, R. Mazzarello, M. Novic, and A. Jezierska-Mazzarello, "Impact of Mercury(II) on the Proteinase K catalytic center: investigations via classical and Born-Oppenheimer molecular dynamics", Mol. Divers. 15, 215 (2011) [link to article]
- R. Mazzarello, S. Caravati, S. Angioletti-Uberti, M. Bernasconi, and M. Parrinello, "Signature of tetrahedral Ge in the Raman spectrum of amorphous phase-change materials", Phys. Rev. Lett. 104, 085503 (2010) [link to article]
- P. Lucignano, R. Mazzarello, A. Smogunov, M. Fabrizio, and E. Tosatti, "Kondo conductance in an atomic nanocontact from first principles", Nature Mater. 8, 563 (2009) [link to article] (also arXiv:0907.3422)
- P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, "Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials", J. Phys.: Condens. Matter 21, 395502 (2009) [link to article] (also arXiv:0906.2569)
- A. Jezierska, J. J. Panek, and R. Mazzarello, "Structural and electronic structure differences due to the O-H.O and O-H.S bond formation in selected Benzamide derivatives: a first-principles molecular dynamics study", Theor. Chem. Acc. 124, 319 (2009) [link to article]
- R. Mazzarello and E. Tosatti, "Connection between magnetism and structure in Fe double chains on the Ir(100) surface", Phys. Rev. B 79, 134402 (2009) [link to article] (also arXiv:0903.2348)
- A. T. Raji, S. Scandolo, R. Mazzarello, S. Nsengiyumva, M. Haerting, and D. T. Britton, "Ab initio pseudopotential study of vacancies and self-interstitials in HCP Titanium'', Philos. Mag. 89, 1629 (2009) [link to article]
- A. T. Raji, S. Scandolo, R. Mazzarello, S. Nsengiyumva, M. Haerting, and D. T. Britton, "Ab initio study of Krypton in HCP Ti: diffusion, formation, and stability of small Krypton-vacancy clusters", Nucl. Instr. and Meth. B 267, 2991 (2009) [link to article]
- Y. Miura, R. Mazzarello, A. Dal Corso, A. Smogunov, and E. Tosatti, "Monatomic Au wire with a magnetic Ni impurity: electronic structure and ballistic conductance", Phys. Rev. B 78, 205412 (2008) [link to article]
- A. Cossaro, R. Mazzarello, R. Rousseau, L. Casalis, A. Verdini, A. Kohlmeyer, L. Floreano, S. Scandolo, A. Morgante, M. L. Klein, and G. Scoles, "X-ray diffraction and computation yield the structure of Alkanethiols on Au(111)", Science 321, 943 (2008) [link to article]
- R. Mazzarello, A. Dal Corso, and E. Tosatti, "Spin-orbit modifications and splittings of deep surface states on clean Au(111)", Surf. Sci. 602, 893 (2008) [link to article]
- R. Mazzarello, A. Cossaro, A. Verdini, R. Rousseau, L. Casalis, M. F. Danisman, L. Floreano, S. Scandolo, A. Morgante, and G. Scoles, "Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements", Phys. Rev. Lett. 98, 016102 (2007) [link to article]
- R. Rousseau, V. De Renzi, R. Mazzarello, D. Marchetto, R. Biagi, S. Scandolo, and U. Del Pennino, "Interfacial electrostatics of self-assembled monolayers of Alkane thiolates on Au(111): work function modification and molecular level alignments", J. Phys. Chem. B 110, 10862 (2006) [link to article]
- R. Rousseau, R. Mazzarello, and S. Scandolo, "An effective pseudo-potential for modeling Gold surface slabs for ab initio simulations", ChemPhysChem 6, 1756 (2005) [link to article]
- R. Mazzarello, S. Kettemann, and B. Kramer, "Tails of the density of states in a random magnetic field", Phys. Rev. B 71, 193302 (2005) [link to article] (also cond-mat/0412517)
- E. Mariani, R. Mazzarello, M. Sassetti, and B. Kramer, "Spin polarization transitions in the FQHE", Ann.Phys. 11, 926 (2002) [link to article]
- R. Mazzarello and A.C.Levi, "Solidification of Hydrogen clusters including a foreign molecule", J. Low Temp.Phys. 127, 259 (2002) [link to article]
- S. Kettemann and R. Mazzarello, "Magnetolocalization in disordered quantum wires", Phys. Rev. B 65, 085318 (2002) [link to article] (also cond-mat/0109060)
- A. C. Levi and R. Mazzarello, "Solidification of Hydrogen clusters", J. Low Temp. Phys. 122, 75 (2001) [link to article]
Submitted
- W. Zhang, A. Thiess, P. Zalden, R. Zeller, P. H. Dederichs, J.-Y. Raty, M. Wuttig, S. Bluegel, and R. Mazzarello, "Role of vacancies in metal-insulator transitions of crystalline phase-change materials"
- W. Zhang, I. Ronneberger, Y. Li and R. Mazzarello, "Magnetic properties of crystalline and amorphous phase-change materials doped with 3d impurities"
Last updated by Riccardo Mazzarello, April 17th 2012