arXiv subjects

F. Guinea

Publications and source records attributed to F. Guinea.

At least 37 records · Page 2Linked to original sources

arXiv2016

Electronic structure of $2H$-NbSe$_2$ single-layers in the CDW state

A density functional theory study of NbSe$_2$ single-layers in the normal non-modulated and the $3\times3$ CDW states is reported. We show that, in the single layer, the CDW barely affects the Fermi surface of the system, thus ruling out a nesting mechanism as the driving force for the modulation. The CDW stabilizes levels lying around 1.5 eV below the Fermi level within the Se-based valence band but having a substantial Nb-Nb bonding character. The absence of interlayer interactions leads to the suppression of the pancake-like portion of the bulk Fermi surface in the single-layer. We perform scanning tunneling microscopy simulations and find that the images noticeably change with the sign and magnitude of the voltage bias. The atomic corrugation of the Se sublayer induced by the modulation plays a primary role in leading to these images, but the electronic reorganization also has an important contribution. The analysis of the variation of these images with the bias voltage does not support a Fermi surface nesting mechanism for the CDW. It is also shown that underlying graphene layers (present in some of the recent experimental work) do not modify the conduction band, but do affect the shape of the valence band of NbSe$_2$ single-layers. The relevance of these results in understanding recent physical measurements for NbSe$_2$ single-layers is discussed.

cond-mat.mtrl-sci↗

arXiv2016

Novel effects of strains in graphene and other two dimensional materials

The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent theoretical and experimental work shows the influence of strains in many properties of graphene not considered before, such as electronic transport, spin-orbit coupling, the formation of Moiré patterns, optics, ... There is also significant evidence of anharmonic effects, which can modify the structural properties of graphene. These phenomena are not restricted to graphene, and they are being intensively studied in other two dimensional materials, such as the metallic dichalcogenides. We review here recent developments related to the role of strains in the structural and electronic properties of graphene and other two dimensional compounds.

cond-mat.mes-hall↗

arXiv2015

Majorana Zero Modes in Graphene

A clear demonstration of topological superconductivity (TS) and Majorana zero modes remains one of the major pending goal in the field of topological materials. One common strategy to generate TS is through the coupling of an s-wave superconductor to a helical half-metallic system. Numerous proposals for the latter have been put forward in the literature, most of them based on semiconductors or topological insulators with strong spin-orbit coupling. Here we demonstrate an alternative approach for the creation of TS in graphene/superconductor junctions without the need of spin-orbit coupling. Our prediction stems from the helicity of graphene's zero Landau level edge states in the presence of interactions, and on the possibility, experimentally demonstrated, to tune their magnetic properties with in-plane magnetic fields. We show how canted antiferromagnetic ordering in the graphene bulk close to neutrality induces TS along the junction, and gives rise to isolated, topologically protected Majorana bound states at either end. We also discuss possible strategies to detect their presence in graphene Josephson junctions through Fraunhofer pattern anomalies and Andreev spectroscopy. The latter in particular exhibits strong unambiguous signatures of the presence of the Majorana states in the form of universal zero bias anomalies. Remarkable progress has recently been reported in the fabrication of the proposed type of junctions, which offers a promising outlook for Majorana physics in graphene systems.

cond-mat.mes-hall↗

arXiv2015

Superconductivity in Ca-doped graphene

Graphene, a zero-gap semimetal, can be transformed into a metallic, semiconducting or insulating state by either physical or chemical modification. Superconductivity is conspicuously missing among these states despite considerable experimental efforts as well as many theoretical proposals. Here, we report superconductivity in calcium-decorated graphene achieved by intercalation of graphene laminates that consist of well separated and electronically decoupled graphene crystals. In contrast to intercalated graphite, we find that Ca is the only dopant that induces superconductivity in graphene laminates above 1.8 K among intercalants used in our experiments such as potassium, caesium and lithium. Ca-decorated graphene becomes superconducting at ~ 6 K and the transition temperature is found to be strongly dependent on the confinement of the Ca layer and the induced charge carrier concentration. In addition to the first evidence for superconducting graphene, our work shows a possibility of inducing and studying superconductivity in other 2D materials using their laminates.

cond-mat.supr-con↗

arXiv2015

Topological features of hydrogenated graphene

Hydrogen adatoms are one of the most the promising proposals for the functionalization of graphene. Hydrogen induces narrow resonances near the Dirac energy, which lead to the formation of magnetic moments. Furthermore, they also create local lattice distortions which enhance the spin-orbit coupling. The combination of magnetism and spin-orbit coupling allows for a rich variety of phases, some of which have non trivial topological features. We analyze the interplay between magnetism and spin-orbit coupling in ordered arrays of hydrogen on graphene monolayers, and classify the different phases that may arise. We extend our model to consider arrays of adsorbates in graphene-like crystals with stronger intrinsic spin-orbit couplings.

cond-mat.mes-hall↗

arXiv2014

Momentum dependence of spin-orbit interaction effects in single-layer and multi-layer transition metal dichalcogenides

One of the main characteristics of the new family of two-dimensional crystals of semiconducting transition metal dichalcogenides (TMD) is the strong spin-orbit interaction, which makes them very promising for future applications in spintronics and valleytronics devices. Here we present a detailed study of the effect of spin-orbit coupling (SOC) on the band structure of single-layer and bulk TMDs, including explicitly the role of the chalcogen orbitals and their hybridization with the transition metal atoms. To this aim, we combine density functional theory (DFT) calculations with a Slater-Koster tight-binding model. Whereas most of the previous tight-binding models have been restricted to the K and K' points of the Brillouin zone (BZ), here we consider the effect of SOC in the whole BZ, and the results are compared to the band structure obtained by DFT methods. The tight-binding model is used to analyze the effect of SOC in the band structure, considering separately the contributions from the transition metal and the chalcogen atoms. Finally, we present a scenario where, in the case of strong SOC, the spin/orbital/valley entanglement at the minimum of the conduction band at Q can be probed and be of experimental interest in the most common cases of electron-doping reported for this family of compounds.

cond-mat.mes-hall↗

arXiv2014

Reply to 'Comment on "Thermodynamics of quantum crystalline membranes"'

In this note, we reply to the comment made by E.I.Kats and V.V.Lebedev [arXiv:1407.4298] on our recent work "Thermodynamics of quantum crystalline membranes" [Phys. Rev. B 89, 224307 (2014)]. Kats and Lebedev question the validity of the calculation presented in our work, in particular on the use of a Debye momentum as a ultra-violet regulator for the theory. We address and counter argue the criticisms made by Kats and Lebedev to our work.

cond-mat.mes-hall↗

arXiv2014

Electronic properties of single-layer and multilayer transition metal dichalcogenides $MX_2$ ($M=$ Mo, W and $X=$ S, Se)

Single- and few-layer transition metal dichalcogenides have recently emerged as a new family of layered crystals with great interest, not only from the fundamental point of view, but also because of their potential application in ultrathin devices. Here we review the electronic properties of semiconducting $MX_2$, where $M=$Mo or W and $X=$ S or Se. Based on of density functional theory calculations, which include the effect of spin-orbit interaction, we discuss the band structure of single-layer, bilayer and bulk compounds. The band structure of these compounds is highly sensitive to elastic deformations, and we review how strain engineering can be used to manipulate and tune the electronic and optical properties of those materials. We further discuss the effect of disorder and imperfections in the lattice structure and their effect on the optical and transport properties of $MX_2$. The superconducting transition in these compounds, which has been observed experimentally, is analyzed, as well as the different mechanisms proposed so far to explain the pairing. Finally, we include a discussion on the excitonic effects which are present in these systems.

cond-mat.mtrl-sci↗

arXiv2014

Effect of Point Defects on the Optical and Transport Properties of MoS2 and WS2

Imperfections in the crystal structure, such as point defects, can strongly modify the optical and transport properties of materials. Here, we study the effect of point defects on the optical and DC conductivities of single layers of semiconducting transition metal dichalcogenides with the form $M$S$_2$, where $M$=Mo or W. The electronic structure is considered within a six bands tight-binding model, which accounts for the relevant combination of $d$ orbitals of the metal $M$ and $p$ orbitals of the chalcogen $S$. We use the Kubo formula for the calculation of the conductivity in samples with different distributions of disorder. We find that $M$ and/or S defects create mid-gap states that localize charge carriers around the defects and which modify the optical and transport properties of the material, in agreement with recent experiments. Furthermore, our results indicate a much higher mobility for $p$-doped WS$_2$ in comparison to MoS$_2$.

cond-mat.mes-hall↗

arXiv2014

Thermodynamics of quantum crystalline membranes

We investigate the thermodynamic properties and the lattice stability of two-dimensional crystalline membranes, such as graphene and related compounds, in the low temperature quantum regime $T\rightarrow0$. A key role is played by the anharmonic coupling between in-plane and out-of plane lattice modes that, in the quantum limit, has very different consequences than in the classical regime. The role of retardation, namely of the frequency dependence, in the effective anharmonic interactions turns out to be crucial in the quantum regime. We identify a crossover temperature, $T^{*}$, between classical and quantum regimes, which is $\sim 70 - 90$ K for graphene. Below $T^{*}$, the heat capacity and thermal expansion coefficient decrease as power laws with decreasing temperature, tending to zero for $T\rightarrow0$ as required by the third law of thermodynamics.

cond-mat.mes-hall↗

arXiv2014

Zero-bias conductance peak in detached flakes of superconducting 2H-TaS$_2$ probed by scanning tunneling spectroscopy

We report an anomalous tunneling conductance with a zero bias peak in flakes of superconducting 2H-TaS$_2$ detached through mechanical exfoliation. To explain the observed phenomenon, we construct a minimal model for a single unit cell layer of superconducting 2H-TaS$_2$ with a simplified 2D Fermi surface and sign-changing Cooper pair wavefunction induced by Coulomb repulsion. Superconductivity is induced in the central $Γ$ pocket, where it becomes nodal. We show that weak scattering at the nodal Fermi surface, produced by non-perturbative coupling between tip and sample, gives Andreev states that lead to a zero bias peak in the tunneling conductance. We suggest that reducing dimensionality down to a few atom thick crystals could drive a crossover from conventional to sign changing pairing in the superconductor 2H-TaS$_2$.

cond-mat.supr-con↗

arXiv2014

Stacking boundaries and transport in bilayer graphene

Pristine bilayer graphene behaves in some instances as an insulator with a transport gap of a few meV. This behaviour has been interpreted as the result of an intrinsic electronic instability induced by many-body correlations. Intriguingly, however, some samples of similar mobility exhibit good metallic properties, with a minimal conductivity of the order of $2e^2/h$. Here we propose an explanation for this dichotomy, which is unrelated to electron interactions and based instead on the reversible formation of boundaries between stacking domains (`solitons'). We argue, using a numerical analysis, that the hallmark features of the previously inferred many-body insulating state can be explained by scattering on boundaries between domains with different stacking order (AB and BA). We furthermore present experimental evidence, reinforcing our interpretation, of reversible switching between a metallic and an insulating regime in suspended bilayers when subjected to thermal cycling or high current annealing.

cond-mat.mes-hall↗

arXiv2014

Giant Interaction-Induced Gap and Electronic Phases in Rhombohedral Trilayer Graphene

Due to their unique electron dispersion and lack of a Fermi surface, Coulomb interactions in undoped two-dimensional Dirac systems, such as single, bi- and tri-layer graphene, can be marginal or relevant. Relevant interactions can result in spontaneous symmetry breaking, which is responsible for a large class of physical phenomena ranging from mass generation in high energy physics to correlated states such as superconductivity and magnetism in condensed matter. Here, using transport measurements, we show that rhombohedral-stacked trilayer graphene (r-TLG) offers a simple, yet novel and tunable, platform for study of various phases with spontaneous or field-induced broken symmetries. Here, we show that, contrary to predictions by tight-binding calculations, rhombohedral-stacked trilayer graphene (r-TLG) is an intrinsic insulator, with a giant interaction-induced gap Δ~42meV. This insulating state is a spontaneous layer antiferromagnetic with broken time reversal symmetry, and can be suppressed by increasing charge density n, an interlayer potential, a parallel magnetic field, or a critical temperature Tc~38K. This gapped collective state can be explored for switches with low input power and high on/off ratio.

cond-mat.mes-hall↗

arXiv2013

Quantum Spin Hall Effect in Two-dimensional Crystals of Transition Metal Dichalcogenides

We propose to engineer time-reversal-invariant topological insulators in two-dimensional (2D) crystals of transition metal dichalcogenides (TMDCs). We note that, at low doping, semiconducting TMDCs under shear strain will develop spin-polarized Landau levels residing in different valleys. We argue that gaps between Landau levels in the range of $10-100$ Kelvin are within experimental reach. In addition, we point out that a superlattice arising from a Moiré pattern can lead to topologically non-trivial subbands. As a result, the edge transport becomes quantized, which can be probed in multi-terminal devices made using strained 2D crystals and/or heterostructures. The strong $d$ character of valence and conduction bands may also allow for the investigation of the effects of electron correlations on the topological phases.

cond-mat.mes-hall↗

arXiv2013

Accurate determination of electron-hole asymmetry and next-nearest neighbor hopping in graphene

The next-nearest neighbor hopping term t' determines a magnitude and, hence, importance of several phenomena in graphene, which include self-doping due to broken bonds and the Klein tunneling that in the presence of t' is no longer perfect. Theoretical estimates for t' vary widely whereas a few existing measurements by using polarization resolved magneto-spectroscopy have found surprisingly large t', close or even exceeding highest theoretical values. Here we report dedicated measurements of the density of states in graphene by using high-quality capacitance devices. The density of states exhibits a pronounced electron-hole asymmetry that increases linearly with energy. This behavior yields t' approx -0.30 eV +-15%, in agreement with the high end of theory estimates. We discuss the role of electron-electron interactions in determining t' and overview phenomena which can be influenced by such a large value of t'.

cond-mat.mtrl-sci↗

arXiv2013

Spin memory and spin-lattice relaxation in two-dimensional hexagonal crystals

We propose a theory of spin relaxation of electrons and holes in two-dimensional hexagonal crystals such as atomic layers of transition metal dichalcogenides (MoS2, WSe2, etc). We show that even in intrinsically defectless crystals, their flexural deformations are able to generate spin relaxation of carriers. Based on symmetry analysis, we formulate a generic model for spin-lattice coupling between electrons and flexural deformations, and use it to determine temperature and material-dependent spin lifetimes in atomic crystals in ambient conditions.

cond-mat.mes-hall↗

arXiv2013

Many body renormalization of the minimal conductivity in graphene

The conductance of ballistic graphene at the neutrality point is due to coherent electron tunneling between the leads, the so called pseudodiffusive regime. The conductance scales as function of the sample dimensions in the same way as in a diffusive metal, despite the difference in the physical mechanisms involved. The electron-electron interaction modifies this regime, and plays a role similar to that of the environment in macroscopic quantum phenomena. We show that interactions, and the presence of external gates, change substantially the transport properties, and can lead to a diverging resistivity at the neutrality point.

cond-mat.mes-hall↗

arXiv2013

Transverse current current response of graphene at finite temperature, plasmons and absorption

We calculate the linear transverse current current response function for graphene at finite temperature and chemical potential. Within the Random Phase Approximation, we then discuss general aspects of transverse plasmons beyond the local response such as their dependence on temperature and on the surrounding dielectric media. We find, e.g., maximal confinement of this mode for a homogeneous dielectric media with refractive index $n\simeq 40$. Confinement can further be enhanced by placing the graphene sheet inside an optical cavity, but there exists a critical width below which no transverse mode can be sustained. For zero doping and finite temperature, there are no well-defined transverse plasmonic excitations in contrast to the longitudinal channel. We also discuss the absorption of electromagnetic radiation in single and double-layer systems for $s$ and $p$ polarizations and point out that the theoretical limit of 50% is reached for $s$-polarized light with incident angle of $θ\approx89^o$.

cond-mat.mes-hall↗