J. J. Palacios

Isolation and characterization of few-layer black phosphorus

This is the post-peer reviewed version of the following article: A. Castellanos-Gomez et al. “Isolation and characterization of few-layer black phosphorus”. 2D Matererials, 2014, 1(2) 025001 doi:10.1088/2053-1583/1/2/025001 Which has been published in final form at: http://iopscience.iop.org/2053-1583/1/2/025001

Magnetism in Graphene Nanoislands

We study the magnetic properties of nanometer-sized graphene structures with triangular and hexagonal shapes terminated by zigzag edges. We discuss how the shape of the island, the imbalance in the number of atoms belonging to the two graphene sublattices, the existence of zero-energy states, and the total and local magnetic moment are intimately related. We consider electronic interactions both in a mean-field approximation of the one-orbital Hubbard model and with density functional calculations. Both descriptions yield values for the ground state total spin S consistent with Liebs theorem for bipartite lattices. Triangles have a finite S for all sizes whereas hexagons have S=0 and develop local moments above a critical size of approximately 1.5 nm.

Vacancy-induced magnetism in graphene and graphene ribbons

This work was financially supported by MEC-Spain under Grant Nos. MAT2007-65487, MAT2006-03741, and CONSOLIDER CSD2007-00010, and by Generalitat Valenciana under Grant No. ACOMP07/054.

Giant Magnetoresistance in Ultrasmall Graphene Based Devices

By computing spin-polarized electronic transport across a finite zigzag graphene ribbon bridging two metallic graphene electrodes, we demonstrate, as a proof of principle, that devices featuring 100% magnetoresistance can be built entirely out of carbon. In the ground state a short zigzag ribbon is an antiferromagnetic insulator which, when connecting two metallic electrodes, acts as a tunnel barrier that suppresses the conductance. The application of a magnetic field makes the ribbon ferromagnetic and conductive, increasing dramatically the current between electrodes. We predict large magnetoresistance in this system at liquid nitrogen temperature and 10 T or at liquid helium temperature and 300 G.

Atomic-scale control of graphene magnetism by using hydrogen atoms.

Hydrogen atom makes graphene magnetic Graphene has many extraordinary mechanical and electronic properties, but its not magnetic. To make it so, the simplest strategy is to modify its electronic structure to create unpaired electrons. Researchers can do that by, for example, removing individual carbon atoms or adsorbing hydrogen onto graphene. This has to be done in a very controlled way because of a peculiarity of the graphenes crystal lattice, which consists of two sublattices. Gonzales-Herrero et al. deposited a single hydrogen atom on top of graphene and used scanning tunneling microscopy to detect magnetism on the sublattice lacking the deposited atom (see the Perspective by Hollen and Gupta). Science, this issue p. 437; see also p. 415 Scanning tunneling microscopy shows that a hydrogen atom deposited on graphene makes the complementary sublattice magnetic. [Also see Perspective by Hollen and Gupta] Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments. Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a magnetic moment characterized by a ~20–millielectron volt spin-split state at the Fermi energy. Our scanning tunneling microscopy (STM) experiments, complemented by first-principles calculations, show that such a spin-polarized state is essentially localized on the carbon sublattice opposite to the one where the hydrogen atom is chemisorbed. This atomically modulated spin texture, which extends several nanometers away from the hydrogen atom, drives the direct coupling between the magnetic moments at unusually long distances. By using the STM tip to manipulate hydrogen atoms with atomic precision, it is possible to tailor the magnetism of selected graphene regions.

First-Principles Phase-Coherent Transport in Metallic Nanotubes with Realistic Contacts

We present first-principles calculations of phase coherent electron transport in a carbon nanotube (CNT) with realistic contacts. We focus on the zero-bias response of open metallic CNTs considering two archetypal contact geometries (end and side) and three commonly used metals as electrodes (Al, Au, and Ti). Our ab initio electrical transport calculations make, for the first time, quantitative predictions on the contact transparency and the transport properties of finite metallic CNTs. Al and Au turn out to make poor contacts while Ti is the best option of the three.

Coherent transport in graphene nanoconstrictions

We study the effect of a structural nanoconstriction on the coherent transport properties of otherwise ideal zigzag-edged infinitely long graphene ribbons. The electronic structure is calculated with the standard oneorbital tight-binding model and the linear conductance is obtained using the Landauer formula. We find that, since the zero-bias current is carried in the bulk of the ribbon, this is very robust with respect to a variety of constriction geometries and edge defects. In contrast, the curve of zero-bias conductance versus gate voltage departs from the 2n +1 e 2 /h staircase of the ideal case as soon as a single atom is removed from the sample. We also find that wedge-shaped constrictions can present nonconducting states fully localized in the constriction close to the Fermi energy. The interest of these localized states in regards to the formation of quantum dots in graphene is discussed.

Fullerene-based molecular nanobridges: A first-principles study

Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, Madrid 28049, Spain~Received 25 May 2001; published 24 August 2001!Building upon traditional quantum-chemistry calculations, we have implemented an ab initio method tostudy the electrical transport in nanocontacts. We illustrate our technique calculating the conductance of C

Hydrogenated graphene nanoribbons for spintronics

We show how hydrogenation of graphene nanoribbons at small concentrations can open venues toward carbon-based spintronics applications regardless of any specific edge termination or passivation of the nanoribbons. Density-functional theory calculations show that an adsorbed H atom induces a spin density on the surrounding orbitals whose symmetry and degree of localization depends on the distance to the edges of the nanoribbon. As expected for graphene-based systems, these induced magnetic moments interact ferromagnetically or antiferromagnetically depending on the relative adsorption graphene sublattice, but the magnitude of the interactions are found to strongly vary with the position of the H atoms relative to the edges. We also calculate, with the help of the Hubbard model, the transport properties of hydrogenated armchair semiconducting graphene nanoribbons in the diluted regime and show how the exchange coupling between H atoms can be exploited in the design of novel magnetoresistive devices.

Correlated few-electron states in vertical double-quantum-dot systems

The electronic properties of semiconductor, vertical, double quantum dot systems with few electrons are investigated by means of analytic, configuration-interaction, and mean-field methods. The combined effect of a high magnetic field, electrostatic confinement, and inter-dot coupling, induces a new class of few-electron ground states absent in single quantum dots. In particular, the role played by the isospin (or quantum dot index) in determining the appearance of new ground states is analyzed and compared with the role played by the standard spin.