Search Results - "Caciuc, V."

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

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

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

A theoretical study of the dynamical switching of a single spin by exchange forces by Wieser, R, Caciuc, V, Lazo, C, Hölscher, H, Vedmedenko, E Y, Wiesendanger, R

“…We demonstrate the possibility of dynamically switching the spin of a single atom or molecule with the magnetic tip of an atomic force microscope making use of…”
Get full text

Probing the Magnetic Exchange Forces of Iron on the Atomic Scale by Schmidt, R, Lazo, C, Hölscher, H, Pi, U. H, Caciuc, V, Schwarz, A, Wiesendanger, R, Heinze, S

“…Applying magnetic exchange force microscopy with an Fe-coated tip, we experimentally resolve the atomic-scale antiferromagnetic structure of the Fe monolayer…”
Get full text

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

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

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

Atomic-scale sharpening of silicon tips in noncontact atomic force microscopy by Caciuc, V, Hölscher, H, Blügel, S, Fuchs, H

“…The atomic-scale stability of clean silicon tips used in noncontact atomic force microscopy (NC-AFM) is simulated by ab initio calculations based on density…”
Get full text

Structure optimization and frozen phonons in LiNbO3 by Postnikov, A.V., Caciuc, V., Borstel, G.

Get full text

Role of tip size, orientation, and structural relaxations in first-principles studies of magnetic exchange force microscopy and spin-polarized scanning tunneling microscopy by Lazo, C., Caciuc, V., Hölscher, H., Heinze, S.

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

Manipulation of benzene on Cu(110) by dynamic force microscopy: An ab initio study by Atodiresei, N., Caciuc, V., Blügel, S., Hölscher, H.

Get full text

First-Principles simulations of ferroelectric oxides by Postnikov, A. V., Eglitis, R. I., Caciuc, V., Borstel, G.

“…Problematics, choice of adequate calculational scheme and obtained results in the first-principles simulations of potassium niobate (in different ferroelectric…”
Get full text

Noncontact atomic force microscopy imaging mechanism on Ag(110): Experiment and first-principles theory by Caciuc, V., Hölscher, H., Weiner, D., Fuchs, H., Schirmeisen, A.

Get full text

Role of tip size, orientation, and structural relaxations in first-principles studies of magnetic exchange force microscopy and spin-polarized scanning tunneling microscopy by Lazo, C, Hoelscher, V. Caciuc H, Heinze, S

“…Using first-principles calculations based on density functional theory (DFT), we investigate the exchange interaction between a magnetic tip and a magnetic…”
Get full text

Chemical versus van der Waals Interaction: The Role of the Heteroatom in the Flat Absorption of Aromatic Molecules C 6 H 6 , C 5 NH 5 , and C 4 N 2 H 4 on the Cu(110) Surface by Atodiresei, N., Caciuc, V., Lazić, P., Blügel, S.

Get full text