Zobrazeno 1 - 10
of 866
pro vyhledávání: '"Schwingenschloegl, U."'
Autor:
Zhang, J. -Y., Wu, M. -S., Qian, Y., Gao, X., Yang, Y. -J., Varga, K., Yan, Z. -C., Schwingenschlögl, U.
Publikováno v:
Phys. Rev. A 100, 032701 (2019)
The confined variational method is applied to investigate the low-energy elastic scattering of ortho-positronium from $\text{H}_2$ by first-principles quantum mechanics. Describing the correlation effect with explicitly correlated Gaussians, we obtai
Externí odkaz:
http://arxiv.org/abs/1803.03026
Publikováno v:
In Materials Today Chemistry September 2022 25
Autor:
Morari, C., Appelt, W. H., Prinz-Zwick, A., Eckern, U., Schwingenschlögl, U., Östlin, A., Chioncel, L.
Publikováno v:
Phys. Rev. B 96, 205137 (2017)
We examine the ballistic conduction through Au-NiMnSb-Au heterostructures consisting of up to four units of NiMnSb in the scattering region. We investigate the dependence of the transmission function computed within the local spin density approximati
Externí odkaz:
http://arxiv.org/abs/1709.00983
Exploration of the unusual properties of the two-dimensional materials silicene and germanene is a very active research field in recent years. This article therefore reviews the latest developments, focusing both on the fundamental materials properti
Externí odkaz:
http://arxiv.org/abs/1512.06300
Publikováno v:
New J. Phys. 18, 013003 (2016)
The magnetic and transport properties of the metal phthalocyanine (MPc) and F$_{16}$MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S-Au wires are investigated by density functional theory within the local
Externí odkaz:
http://arxiv.org/abs/1502.02603
Publikováno v:
Appl. Phys. Lett. 105, 233112 (2014)
In the framework of first-principles calculations, we investigate the structural and electronic properties of graphene in contact with as well as sandwiched between WS$_2$ and WSe$_2$ monolayers. We report the modification of the band characteristics
Externí odkaz:
http://arxiv.org/abs/1412.0749
Publikováno v:
New J. Phys. 16, 065001 (2014)
We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab-initio calculations. We demonstrate that due to weak interaction quasi-freestanding silicene is realized in this system. The small binding energy of onl
Externí odkaz:
http://arxiv.org/abs/1406.6197
Publikováno v:
Appl. Phys. Lett. 104, 073116 (2014)
Using density functional theory, we present a comparative study of the electronic properties of BN-doped graphene monolayer, bilayer, trilayer, and multilayer systems. In addition, we address a superlattice of pristine and BN-doped graphene. Five dop
Externí odkaz:
http://arxiv.org/abs/1402.0122
Publikováno v:
Phys. Rev. B 89, 035409 (2014)
Based on first-principles calculations, we demonstrate that Co decorated silicene can host a quantum anomalous Hall state. The exchange field induced by the Co atoms combined with the strong spin orbit coupling of the silicene opens a nontrivial band
Externí odkaz:
http://arxiv.org/abs/1312.7127
Publikováno v:
EPL 104, 47013 (2013)
We investigate the role of the substrate for the strength of the electon phonon coupling in Li-decorated graphene. We find that the interaction with a $h$-BN substrate leads to a significant enhancement from $\lambda_0=0.62$ to $\lambda_1=0.67$, whic
Externí odkaz:
http://arxiv.org/abs/1312.2134