Search Results - "Cerdá, J. I"

Validity of perturbative methods to treat the spin-orbit interaction: application to magnetocrystalline anisotropy by Blanco-Rey, M, Cerdá, J I, Arnau, A

“…A second-order perturbation (2PT) approach to the spin-orbit interaction (SOI) is implemented within a density-functional theory framework. Its performance is…”
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Ab initio study of the relationship between spontaneous polarization and p-type doping in quasi-freestanding graphene on H-passivated SiC surfaces by Sławińska, J., Aramberri, H., Muñoz, M.C., Cerdá, J.I.

“…The recent proposal of a direct equivalence between the p-type doping typically found in quasi-free-standing graphene (QFG) obtained on H-passivated silicon…”
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CO-Assisted Subsurface Hydrogen Trapping in Pd(111) Films by Cerdá, J. I, Santos, B, Herranz, T, Puerta, J. M, de la Figuera, J, McCarty, K. F

“…We use low-energy electron microscopy to image CO displacing adsorbed H from the Pd(111) surface. Quantitative electron diffraction reveals that upon codosing…”
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An ab initio study of the magnetic properties of strontium hexaferrite by Tejera-Centeno, C., Gallego, S., Cerdá, J. I.

“…The magnetic properties of SrFe 12 O 19 , a paradigmatic hexaferrite for permanent magnet applications, have been addressed in detail combining density…”
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Structural Analysis and Electronic Properties of Negatively Charged TCNQ: 2D Networks of (TCNQ)2Mn Assembled on Cu(100) by Shi, X. Q, Lin, Chensheng, Minot, C, Tseng, Tzu-Chun, Tait, Steven L, Lin, Nian, Zhang, R. Q, Kern, Klaus, Cerdá, J. I, Van Hove, M. A

“…A compound two-dimensional monolayer mixing Mn atoms and 7,7,8,8-tetracyanoquinodimethane (TCNQ) molecules was synthesized by supramolecular assembly on a…”
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Enhanced electron correlations, local moments, and Curie temperature in strained MnAs nanocrystals embedded in GaAs by Moreno, M., Cerdá, J. I., Ploog, K. H., Horn, K.

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Determining the structure of Ru(0 0 0 1) from low-energy electron diffraction of a single terrace by de la Figuera, J., Puerta, J.M., Cerda, J.I., El Gabaly, F., McCarty, K.F.

“…While a perfect hcp (0 0 0 1) surface has threefold symmetry, the diffraction patterns commonly obtained are sixfold symmetric. This apparent change in…”
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Structure and magnetism of ultra-thin chromium layers on W(110) by Santos, B, Puerta, J M, Cerda, J I, Stumpf, R, von Bergmann, K, Wiesendanger, R, Bode, M, McCarty, K F, de la Figuera, J

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Nexafs Study of Nitric Oxide Layers Adsorbed from a Nitrite Solution onto a Pt(111) Surface by Pedio, M, Casero, E, Nannarone, S, Giglia, A, Mahne, N, Hayakawa, K, Benfatto, M, Hatada, K, Felici, R, Cerdá, J. I, Alonso, C, Martin-Gago, J. A

“…NO molecules adsorbed on a Pt(111) surface from dipping in an acidic nitrite solution are studied by near-edge X-ray absorption fine structure spectroscopy…”
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Lowest order in inelastic tunneling approximation: Efficient scheme for simulation of inelastic electron tunneling data by Rossen, E. T. R., Flipse, C. F. J., Cerdá, J. I.

“…We have developed an efficient and accurate formalism which allows the simulation at the ab initio level of inelastic electron tunneling spectroscopy data…”
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SIESTA: recent developments and applications by García, Alberto, Papior, Nick, Akhtar, Arsalan, Artacho, Emilio, Blum, Volker, Bosoni, Emanuele, Brandimarte, Pedro, Brandbyge, Mads, Cerdá, J. I, Corsetti, Fabiano, Cuadrado, Ramón, Dikan, Vladimir, Ferrer, Jaime, Gale, Julian, García-Fernández, Pablo, García-Suárez, V. M, García, Sandra, Huhs, Georg, Illera, Sergio, Korytár, Richard, Koval, Peter, Lebedeva, Irina, Lin, Lin, López-Tarifa, Pablo, Mayo, Sara G, Mohr, Stephan, Ordejón, Pablo, Postnikov, Andrei, Pouillon, Yann, Pruneda, Miguel, Robles, Roberto, Sánchez-Portal, Daniel, Soler, Jose M, Ullah, Rafi, Yu, Victor Wen-zhe, Junquera, Javier

“…J. Chem. Phys. 152, 204108 (2020) A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in…”
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Subsurface structure of epitaxial rare-earth silicides imaged by STM by Rogero, C., Martín-Gago, J. A., Cerdá, J. I.

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Ab initio study of the relationship between spontaneous polarization and p-type doping in quasi-freestanding graphene on H-passivated SiC surfaces by Slawinska, J, Aramberri, H, Muñoz, M. C, Cerdá, J. I

“…Carbon 93, 88-104, 2015 Quasi-free standing graphene (QFG) obtained by the intercalation of a hydrogen layer between a SiC surface and the graphene is…”
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Significant negative differential resistance predicted in scanning tunneling spectroscopy for a C 60 monolayer on a metal surface by Shi, X. Q., Pai, Woei Wu, Xiao, X. D., Cerdá, J. I., Zhang, R. Q., Minot, C., Van Hove, M. A.

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Structure of ultrathin Pd films determined by low-energy electron microscopy and diffraction by Santos, B, Puerta, J M, Cerda, J I, Herranz, T, McCarty, K F, de la Figuera, J

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Role of volume versus defects in the electrical resistivity of lattice-distorted V(001) ultrathin films by Huttel, Y., Cerdá, J. I., Martínez, J. L., Cebollada, A.

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Enhanced electron correlations, local moments, and Curie temperature in strained MnAs nanocrystals embedded in GaAs by Moreno, M, Cerdá, J. I, Ploog, K. H, Horn, K

“…Phys. Rev. B 82, 045117 (2010) We have studied the electronic structure of hexagonal MnAs, as epitaxial continuous film on GaAs(001) and as nanocrystals…”
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Nature of Interfacial Dzyaloshinskii-Moriya Interactions in Graphene/Co/Pt(111) Multilayer Heterostructures by Blanco-Rey, M, Bihlmayer, G, Arnau, A, Cerda, J. I

“…DFT calculations within the generalized Bloch theorem approach show that interfacial Dzyaloshinskii-Moriya interactions (DMI) at both interfaces of…”
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C 60 adsorption on the Si ( 111 ) -p ( 7 × 7 ) surface: A theoretical study by Rurali, R., Cuadrado, R., Cerdá, J. I.

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Structural Analysis and Electronic Properties of Negatively Charged TCNQ: 2D Networks of (TCNQ) 2 Mn Assembled on Cu(100) by Shi, X. Q., Lin, Chensheng, Minot, C., Tseng, Tzu-Chun, Tait, Steven L., Lin, Nian, Zhang, R. Q., Kern, Klaus, Cerdá, J. I., Van Hove, M. A.

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