Zobrazeno 1 - 10
of 196
pro vyhledávání: '"Atodiresei N"'
Autor:
Sheverdyaeva, P. M., Bihlmayer, G., Cappelluti, E., Pacilé, D., Mazzola, F., Atodiresei, N., Jugovac, M., Grimaldi, I., Contini, G., Kundu, A. K., Vobornik, I., Fujii, J., Moras, P., Carbone, C., Ferrari, L.
Publikováno v:
Phys. Rev. Lett. 132, 266401 (2024)
We present a detailed analysis of the electronic properties of graphene/Eu/Ni(111). By using angle and spin-resolved photoemission spectroscopy and ab initio calculations, we show that the Eu-intercalation of graphene/Ni(111) restores the nearly free
Externí odkaz:
http://arxiv.org/abs/2404.17887
Autor:
Petrovic, M., Rakic, I. Srut, Runte, S., Busse, C., Sadowski, J. T., Lazic, P., Pletikosic, I., Pan, Z. -H., Milun, M., Pervan, P., Atodiresei, N., Brako, R., Sokcevic, D., Valla, T., Michely, T., Kralj, M.
Publikováno v:
Nat. Commun. 4:2772 (2013)
Properties of many layered materials, including copper- and iron-based superconductors, topological insulators, graphite and epitaxial graphene can be manipulated by inclusion of different atomic and molecular species between the layers via a process
Externí odkaz:
http://arxiv.org/abs/1311.3811
We calculate the properties of a graphene monolayer on the Ir(111) surface, using the model in which the periodicities of the two structures are assumed equal, instead of the observed slight mismatch which leads to a large superperiodic unit cell. We
Externí odkaz:
http://arxiv.org/abs/1006.1280
In this study we investigated by means of density functional theory calculations the adsorption geometry and bonding mechanism of a single thymine (C$_5$H$_6$N$_2$O$_2$) molecule on Cu(110) surface. In the most stable energetic configuration, the mol
Externí odkaz:
http://arxiv.org/abs/0811.3088
We performed first-principles calculations aimed to investigate the role of an heteroatom like N in the chemical and the long-range van der Waals (vdW) interactions for a flat adsorption of several pi-conjugated molecules on the Cu(110) surface. Our
Externí odkaz:
http://arxiv.org/abs/0811.3082
JuNoLo - Julich Non Local code for parallel calculation of vdW-DF nonlocal density functional theory
Nowadays the state of the art Density Functional Theory (DFT) codes are based on local (LDA) or semilocal (GGA) energy functionals. Recently the theory of a truly nonlocal energy functional has been developed. It has been used mostly as a post DFT ca
Externí odkaz:
http://arxiv.org/abs/0810.2273
We study the chemisorption of CO molecule into sites of different coordination on (111) surfaces of late 4d and 5d transition metals. In an attempt to solve the well-known CO adsorption puzzle we have applied the relatively new vdW-DF theory of nonlo
Externí odkaz:
http://arxiv.org/abs/0810.2269
Publikováno v:
Nanotechnology 18 (2007) 495402
Based on first-principles density functional theory calculations we explore electronic and magnetic properties of experimentally producible sandwiches and infinite wires made of repeating benzene molecules and transition-metal atoms of V, Nb, and Ta.
Externí odkaz:
http://arxiv.org/abs/0710.5413
In this paper we examine the electronic and geometrical structure of impurity-vacancy complexes in Si and Ge. Already Watkins suggested that in Si the pairing of Sn with the vacancy produces a complex with the Sn-atom at the bond center and the vacan
Externí odkaz:
http://arxiv.org/abs/cond-mat/0406678
The electrical field gradient (EFG), measured e.g. in perturbed angular correlation (PAC) experiments, gives particularly useful information about the interaction of probe atoms like 111In / 111Cd with other defects. The interpretation of the EFG is,
Externí odkaz:
http://arxiv.org/abs/cond-mat/0406616