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19962025
most citedThe SIESTA method for ab initio order-N materials simulation

12k citations · 36.9k across the 34 of their papers we have counts for

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Showing cond-mat.mes-hallShow all

8 papers · 1 filter

cond-mat.mes-hall2025

First-Principles Nanocapacitor Simulations of the Optical Dielectric Constant in Water Ice

Anthony Mannino, Graciele M. Arvelos, Kedarsh Kaushik +5

We introduce a combined density functional theory (DFT) and non-equilibrium Green's function (NEGF) framework to compute the capacitance of nanocapacitors and directly extract the…

cond-mat.mes-hall2020★ 33 cited

Manipulation of Spin Transport in Graphene/Transition Metal Dichalcogenide Heterobilayers upon Twisting

Armando Pezo, Zeila Zanolli, Nils Wittemeier +4

Proximity effects are one of the pillars of exotic phenomena and technological applications of two dimensional materials. However, the interactions nature depends strongly on the m…

cond-mat.mes-hall2018★ 118 cited

Spin Proximity Effects in Graphene/Topological Insulator Heterostructures

Kenan Song, David Soriano, Aron W. Cummings +3

Enhancing the spin-orbit interaction in graphene, via proximity effects with topological insulators, could create a novel 2D system that combines nontrivial spin textures with high…

cond-mat.mes-hall2012★ 50 cited

Insulating Behavior of an Amorphous Graphene Membrane

Dinh Van Tuan, Avishek Kumar, Stephan Roche +3

We investigate the charge transport properties of planar amorphous graphene that is fully topologically disordered, in the form of sp2 three-fold coordinated networks consisting of…

cond-mat.mes-hall2011★ 93 cited

Quantum Transport in Chemically-modified Two-Dimensional Graphene: From Minimal Conductivity to Anderson Localization

Nicolas Leconte, Aurélien Lherbier, François Varchon +3

An efficient computational methodology is used to explore charge transport properties in chemically-modified (and randomly disordered) graphene-based materials. The Hamiltonians of…

cond-mat.mes-hall2011★ 142 cited

Magnetoresistance and Magnetic Ordering Fingerprints in Hydrogenated Graphene

David Soriano, Nicolas Leconte, Pablo Ordejón +3

Spin-dependent features in the conductivity of graphene, chemically modified by a random distribution of hydrogen adatoms, are explored theoretically. The spin effects are taken in…