Effective anisotropies in magnetic nanowires using the torque method

Autor: Manuel Vázquez, Nicoleta Lupu, T. Fehér, José A. Fernández-Roldán, Daniel G. Trabada, H. Chiriac, Cristina Bran, C. Rotarescu, Norbert M. Nemes, Oksana Chubykalo-Fesenko, Roberto Moreno, Tibor-Adrian Óvári

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

The effective anisotropy of Co-based nanowires such as CoFe, monocrystalline hcp Co and polycrystalline Co with a mixture of fcc and hcp grains has been evaluated through micromagnetic modeling based on the magnetization torque simulations. We retrie

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::807a2ddee19f3585f01c6a0b9f9a94ee
https://doi.org/10.1016/j.jmmm.2017.07.059

Proton Transfer in Guanine-Cytosine Base Pairs in B-DNA

Autor: Daniel G. Trabada, Diego Soler-Polo, Jesús Mendieta, José Ortega, Jesús I. Mendieta-Moreno

Publikováno v: DDFV. Repositorio Institucional de la Universidad Francisco de Vitoria
instname
Biblos-e Archivo. Repositorio Institucional de la UAM
DDFV: Repositorio Institucional de la Universidad Francisco de Vitoria
Universidad Francisco de Vitoria
Biblos-e Archivo: Repositorio Institucional de la UAM
Universidad Autónoma de Madrid

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Theory and Computation, copyright © American Chemical Society after peer review and technical editing by the publisher. To access

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::104f05d0bb3962776c23146d81e8a8e8
http://hdl.handle.net/10641/2237

Accurate ab initio determination of ballistic electron emission spectroscopy: Application to Au/Ge

Autor: César González, P. L. de Andres, Daniele Marré, Daniel G. Trabada, F. Flores, L. D. Bell, Andrea Gerbi, Renato Buzio, Nicola Manca, S. Di Matteo

Publikováno v: Physical Review B
Physical Review B, American Physical Society, 2018, 98 (20), pp.205416. ⟨10.1103/PhysRevB.98.205416⟩
Physical Review B, 2018, 98 (20), pp.205416. ⟨10.1103/PhysRevB.98.205416⟩

Ab initio nonequilibrium Keldysh formalism based on an $N$-order renormalization technique is used to compute $I(V)$ ballistic electron emission microscopy characteristics at the Au/Ge(001) interface. Such a formalism quantitatively reproduces precis

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c8715262ed75310a8f6cd01b8fc85ad0
https://doi.org/10.1103/physrevb.98.205416

Advances and applications in the FIREBALL ab initio tight-binding molecular-dynamics formalism

Autor: Enrique Abad, David A. Drabold, Hao Wang, John K. Tomfohr, James P. Lewis, Daniel G. Trabada, Barry Haycock, G. B. Adams, Hong Wang, Pavel Jelínek, Alexander A. Demkov, José Ortega

Publikováno v: physica status solidi (b). 248:1989-2007

One of the outstanding advancements in electronic-structure density-functional methods is the Sankey–Niklewski (SN) approach [Sankey and Niklewski, Phys. Rev. B 40, 3979 (1989)]; a method for computing total energies and forces, within an ab initio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::dd96b08a7a70533161fe94852e7bde69
https://doi.org/10.1002/pssb.201147259

Ultrafast Atomic Diffusion Inducing a Reversible(23×23)R30°↔(3×3)R30°Transition onSn/Si(111)∶B

Autor: Bertrand Kierren, José I. Martínez, Daniel Malterre, Amina Taleb-Ibrahimi, José Ortega, M. Abuín, Antonio Tejeda, Fernando Flores, Yannick Fagot-Revurat, Waked Srour, Daniel G. Trabada

Publikováno v: Physical Review Letters. 114

Dynamical phase transitions are a challenge to identify experimentally and describe theoretically. Here, we study a new reconstruction of Sn on silicon and observe a reversible transition where the surface unit cell divides its area by a factor of 4

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e227681fe636eee6b7b1c98971387df8
https://doi.org/10.1103/physrevlett.114.196101