Search Results - "Atodiresei, N"

The mechanism of caesium intercalation of graphene by Petrović, M., Šrut Rakić, I., Runte, S., Busse, C., Sadowski, J. T., Lazić, P., Pletikosić, I., Pan, Z.-H., Milun, M., Pervan, P., Atodiresei, N., Brako, R., Šokčević, D., Valla, T., Michely, T., Kralj, M.

“…Properties of many layered materials, including copper- and iron-based superconductors, topological insulators, graphite and epitaxial graphene, can be…”
Get full text

Chemical versus van der Waals Interaction: the role of the heteroatom in the flat absorption of aromatic molecules C6H6, C5NH5, and C4N2H4 on the Cu(110) surface by Atodiresei, N, Caciuc, V, Lazić, P, Blügel, S

“…We perform first-principles calculations aimed at investigating the role of a heteroatom such as N in the chemical and long-range van der Waals (vdW)…”
Get full text

Spin-Dependent ππ^{} Gap in Graphene on a Magnetic Substrate by Sheverdyaeva, P M, Bihlmayer, G, Cappelluti, E, Pacilé, D, Mazzola, F, Atodiresei, N, Jugovac, M, Grimaldi, I, Contini, G, Kundu, Asish K, Vobornik, I, Fujii, J, Moras, P, Carbone, C, Ferrari, L

“…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…”
Get full text

Interface-driven formation of a two-dimensional dodecagonal fullerene quasicrystal by Paßens, M., Caciuc, V., Atodiresei, N., Feuerbacher, M., Moors, M., Dunin-Borkowski, R. E., Blügel, S., Waser, R., Karthäuser, S.

“…Since their discovery, quasicrystals have attracted continuous research interest due to their unique structural and physical properties. Recently, it was…”
Get full text

Graphene on the Ir(111) surface: from van der Waals to strong bonding by Brako, R, Šokčević, D, Lazić, P, Atodiresei, N

Get full text

Imaging Individual Molecular-Like Orbitals of a Non-Planar Naphthalene Diimide on Pt(111): A Combined STM and DFT Study by Ebeling, R, Tsukamoto, S, Dirksen, E, Caciuc, V, Müller, T. J. J, Atodiresei, N, Karthäuser, S

“…Functionalized naphthalene diimides (NDIs) are attractive candidates as small molecule acceptors for various molecular electronic applications due to their…”
Get full text

Rationale for switching to nonlocal functionals in density functional theory by Lazić, P, Atodiresei, N, Caciuc, V, Brako, R, Gumhalter, B, Blügel, S

“…Density functional theory (DFT) has been steadily improving over the past few decades, becoming the standard tool for electronic structure calculations. The…”
Get more information

Spin polarization of Co(0001)/graphene junctions from first principles by Sipahi, G M, Žutić, Igor, Atodiresei, N, Kawakami, R K, Lazić, P

“…Junctions comprised of ferromagnets and nonmagnetic materials are one of the key building blocks in spintronics. With the recent breakthroughs of spin…”
Get more information

Electronic mapping of molecular orbitals at the molecule-metal interface by Lennartz, M C, Caciuc, V, Atodiresei, N, Karthäuser, S, Blügel, S

“…The molecule-metal interface formed by pyridine-2,5-dicarboxylic acid chemically bonded to the Cu(110) surface is investigated by scanning tunneling microscopy…”
Get full text

Controlling the magnetization direction in molecules via their oxidation state by Atodiresei, N, Dederichs, P H, Mokrousov, Y, Bergqvist, L, Bihlmayer, G, Blügel, S

“…By means of ab initio calculations we predict that it is possible to manipulate the magnetization direction in organic magnetic molecules by changing their…”
Get full text

Self-assembled monolayers of methylselenolate on the Au(111) surface: A combined STM and DFT study by El-Kareh, L., Mehring, P., Caciuc, V., Atodiresei, N., Beimborn, A., Blügel, S., Westphal, C.

“…In this study scanning tunneling microscopy (STM) and density functional theory (DFT) were used to investigate the structural formation of methylselenolate…”
Get full text

Spin-Hybrids: A Single-Molecule Approach to Spintronics by Bürgler, D. E., Heß, V., Esat, T., Fahrendorf, S., Matthes, F., Schneider, C. M., Besson, C., Monakhov, K. Yu, Kögerler, P., Ghisolfi, A., Braunstein, P., Atodiresei, N., Caciuc, V., Blügel, S.

“…Molecular spintronics aims at exploiting and controlling spin-dependent transport processes at the molecular level. Achieving this aim requires not only…”
Get full text

Density-functional theory study on the arrangement of adsorbed formate molecules on Cu(110) by Atodiresei, N., Schroeder, K., Blügel, S.

Get full text

Systematic chemical functionalization of hybrid molecule-surface interfaces by Caciuc, V., Lennartz, M. C., Atodiresei, N., Tsukamoto, S., Karthäuser, S., Blügel, S.

“…In this article, we briefly overview our experimental and theoretical studies aimed to investigate the electronic structure and the transport properties of…”
Get full text

Cd-vacancy and Cd-interstitial complexes in Si and Ge by HÖHLER, H, ATODIRESEI, N, SCHROEDER, K, ZELLER, R, DEDERICHS, P. H

Get full text

Vacancy complexes with oversized impurities in Si and Ge by HÖHLER, H, ATODIRESEI, N, SCHROEDER, K, ZELLER, R, DEDERICHS, P. H

Get full text

Spin-Dependent π π Gap in Graphene on a Magnetic Substrate by Sheverdyaeva, P. M., Bihlmayer, G., Cappelluti, E., Pacilé, D., Mazzola, F., Atodiresei, N., Jugovac, M., Grimaldi, I., Contini, G., Kundu, Asish K., Vobornik, I., Fujii, J., Moras, P., Carbone, C., Ferrari, L.

“…Here, we present a detailed analysis of the electronic properties of graphene/Eu/Ni(111). By using angle- and spin-resolved photoemission spectroscopy and ab…”
Get full text

Impurity-Vacancy Complexes in Si and Ge by Höhler, H., Atodiresei, N., Schroeder, K., Zeller, R., Dederichs, P. H.

Get full text

Role of the van der Waals interactions on the bonding mechanism of pyridine on Cu(110) and Ag(110) surface: First-principles study by Atodiresei, N., Caciuc, V., Franke, J.-H., Blügel, S.

Get full text

Atodiresei et al. Reply by Atodiresei, N., Caciuc, V., Lazić, P., Blügel, S.

Get full text