Synthesis of antimonene on germanium
M Fortin-Deschênes, O Waller, TO Mentes… - Nano …, 2017 - ACS Publications
The lack of large-area synthesis processes on substrates compatible with industry
requirements has been one of the major hurdles facing the integration of 2D materials in …
requirements has been one of the major hurdles facing the integration of 2D materials in …
Transition metal doped phosphorene: first-principles study
Recently, a newly fabricated two-dimensional layer structured material so-called
phosphorene is receiving great research interests due to its peculiar physical properties. So …
phosphorene is receiving great research interests due to its peculiar physical properties. So …
Screening nature of the van der Waals density functional method: A review and analysis of the many-body physics foundation
P Hyldgaard, Y Jiao, V Shukla - Journal of Physics: Condensed …, 2020 - iopscience.iop.org
We review the screening nature and many-body physics foundation of the van der Waals
density functional (vdW-DF) method [Berland K et al 2015 Rep. Prog. Phys. 78 066501], a …
density functional (vdW-DF) method [Berland K et al 2015 Rep. Prog. Phys. 78 066501], a …
The magnetic proximity effect and electrical field tunable valley degeneracy in MoS 2/EuS van der Waals heterojunctions
We report the magnetic proximity effect (MPE) and valley non-degeneracy in monolayer
MoS2 and magnetic semiconductor EuS thin film heterojunctions studied by density …
MoS2 and magnetic semiconductor EuS thin film heterojunctions studied by density …
Self-consistent van der Waals density functional study of benzene adsorption on Si (100)
Y Hamamoto, I Hamada, K Inagaki, Y Morikawa - Physical Review B, 2016 - APS
The adsorption of benzene on the Si (100) surface is studied theoretically using the self-
consistent van der Waals density functional (vdW-DF) method. The adsorption energies of …
consistent van der Waals density functional (vdW-DF) method. The adsorption energies of …
Many-body dispersion effects in the binding of adsorbates on metal surfaces
RJ Maurer, VG Ruiz, A Tkatchenko - The Journal of chemical physics, 2015 - pubs.aip.org
A correct description of electronic exchange and correlation effects for molecules in contact
with extended (metal) surfaces is a challenging task for first-principles modeling. In this work …
with extended (metal) surfaces is a challenging task for first-principles modeling. In this work …
Boron-doped, nitrogen-doped, and codoped graphene on Cu (111): A DFT+ vdW study
L Ferrighi, MI Trioni, C Di Valentin - The Journal of Physical …, 2015 - ACS Publications
The electronic properties of free-standing and Cu-supported pristine and boron-doped,
nitrogen-doped, and codoped graphene have been studied by means of density functional …
nitrogen-doped, and codoped graphene have been studied by means of density functional …
Electronic properties and interlayer coupling of twisted heterobilayers
In this paper we present first-principles calculations, based on both density functional theory
and maximally localized Wannier functions, to study the electronic properties and interlayer …
and maximally localized Wannier functions, to study the electronic properties and interlayer …
Assessing the accuracy of the van der Waals density functionals for rare-gas and small molecular systems
The precise description of chemical bonds with different natures is a prerequisite for an
accurate electronic structure method. The van der Waals density functional is a promising …
accurate electronic structure method. The van der Waals density functional is a promising …
revisited with a many-body ab initio theoretical approach
CrI 3 has recently been shown to exhibit low-dimensional, long-range magnetic ordering
from few layers to single layers of CrI 3. The properties of CrI 3 bulk and few-layered systems …
from few layers to single layers of CrI 3. The properties of CrI 3 bulk and few-layered systems …