Zobrazeno 1 - 10
of 309
pro vyhledávání: '"Durgun E"'
Publikováno v:
In Applied Surface Science 30 November 2021 567
Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in multilayers of these honeycomb structures. Using first-principles calculations based on density functional theory, here we investigate the dumbbell for
Externí odkaz:
http://arxiv.org/abs/1412.3482
Publikováno v:
J. Phys. Chem. Lett 2014, 5, 2694 - 2699
Germanene, a graphene like single layer structure of Ge, has been shown to be stable and recently grown on Pt and Au substrates. We show that a Ge adatom adsorbed to germanene pushes down the host Ge atom underneath and forms a dumbbell structure. Th
Externí odkaz:
http://arxiv.org/abs/1407.4170
Publikováno v:
In Computational Materials Science September 2019 167:13-18
We report a first principles systematic study of atomic, electronic, and magnetic properties of hydrogen saturated silicon nanowires (H-SiNW) which are doped by transition metal (TM) atoms placed at various interstitial sites. Our results obtained wi
Externí odkaz:
http://arxiv.org/abs/1204.5468
The dynamical, dielectric and elastic properties of GeTe, a ferroelectric material in its low temperature rhombohedral phase, have been investigated using first-principles density functional theory. We report the electronic energy bands, phonon dispe
Externí odkaz:
http://arxiv.org/abs/0805.0491
In this paper we investigated structural, electronic and magnetic properties of 3d (light) transition metal (TM) atomic chains using first-principles pseudopotential plane wave calculations. Periodic linear, dimerized linear and planar zigzag chain s
Externí odkaz:
http://arxiv.org/abs/0801.1178
Recently, we have predicted [Phys. Rev. Lett. 97, 226102 (2006)] that a single ethylene molecule can form stable complexes with light transition metals (TM) such as Ti and the resulting TMn-ethylene complex can absorb up to ~12 and 14 wt % hydrogen f
Externí odkaz:
http://arxiv.org/abs/cond-mat/0701569
Unusual physical properties of single-wall carbon nanotubes have started a search for similar tubular structures of other elements. In this paper, we present a theoretical analysis of single-wall nanotubes of silicon and group III-V compounds. Starti
Externí odkaz:
http://arxiv.org/abs/cond-mat/0505263
We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite direction. The s
Externí odkaz:
http://arxiv.org/abs/cond-mat/0504747