51 citations · 103 across the 7 of their papers we have counts for
7 papers
Out-of-plane Enhanced Magnetic Anisotropy Energy in NiBz molecule
Tomás Alonso-Lanza, Jhon W. González, Faustino Aguilera-Granja +1
Organometallic complexes formed by transition metals clusters and benzene molecules have already been synthesized, and in selected cases display magnetic properties controlled by e…
Carbon Monosulfide Nanostructures: Chains Arrays, Monolayers, and Thin Films
Tomás Alonso-Lanza, Faustino Aguilera-Granja, Jhon W. González +1
Theoretical predictions have lead to the experimental synthesis of new low dimensional layered structures. Herein we show for the very first time that compounds of carbon monosulfi…
An Array of Layers in Silicon Sulfides: Chain-like and Ground State Structures
Tomás Alonso-Lanza, Andrés Ayuela, Faustino Aguilera-Granja
While much is known about isoelectronic materials related to carbon nanostructures, such as boron nitride layers and nanotubes, rather less is known about equivalent silicon based…
Substitutional 4d and 5d Impurities in Graphene
Tomás Alonso-Lanza, Andrés Ayuela, Faustino Aguilera-Granja
We describe the structural and electronic properties of graphene doped with substitutional impurities of 4d and 5d transition metals. The binding energy and distances for 4d and 5d…
Chemical Bonding of Transition-metal Co Clusters with Graphene
Tomás Alonso-Lanza, Andrés Ayuela, Faustino Aguilera-Granja
We carried out density functional calculation to study Co clusters on graphene. We deposit several free isomers in different disposition respect to hexagonal lattice nodes,…
Collinear versus non-collinear magnetic order in Pd atomic clusters: ab-initio calculations
F. Aguilera-Granja, J. Ferrer, A. Vega
We present a thorough theoretical assessment of the stability of non-collinear spin arrangements in small palladium clusters. We generally find that ferromagnetic order is always p…