arXiv subjects

M. J. Calderón

Publications and source records attributed to M. J. Calderón.

29 records · Page 2Linked to original sources

arXiv2013

Coupling of the A_{1g} As-phonon to magnetism in iron pnictides

Charge, spin and lattice degrees of freedom are strongly entangled in iron superconductors. A neat consequence of this entanglement is the behavior of the A_{1g} As-phonon resonance in the different polarization symmetries of Raman spectroscopy when undergoing the magneto-structural transition. In this work we show that the observed behavior could be a direct consequence of the coupling of the phonons with the electronic excitations in the anisotropic magnetic state. We discuss this scenario within a five orbital tight-binding model coupled to phonons via the dependence of the Slater-Koster parameters on the As position. We identify two qualitatively different channels of the electron-phonon interaction: a geometrical one related to the Fe-As-Fe angle and another one associated with the modification upon As displacement of the Fe-As energy integrals pdsigma and pdpi. While both mechanisms result in a finite B_{1g} response, the behavior of the phonon intensity in the A_{1g} and B_{1g} Raman polarization geometries is qualitatively different when the coupling is driven by the angle or by the energy integral dependence. We discuss our results in view of the experimental reports.

cond-mat.str-el↗

arXiv2012

Orbital differentiation and the role of orbital ordering in the magnetic state of Fe superconductors

We analyze the metallic (pi,0) antiferromagnetic state of a five-orbital model for iron superconductors. We find that with increasing interactions the system does not evolve trivially from the pure itinerant to the pure localized regime. Instead we find a region with a strong orbital differentiation between xy and yz, which are half-filled gapped states at the Fermi level, and itinerant zx, 3z^2-r^2 and x^2-y^2. We argue that orbital ordering between yz and zx orbitals arises as a consequence of the interplay of the exchange energy in the antiferromagnetic x direction and the kinetic energy gained by the itinerant orbitals along the ferromagnetic y direction with an overall dominance of the kinetic energy gain. We indicate that iron superconductors are close to the boundary between the itinerant and the orbital differentiated regimes and that it could be possible to cross this boundary with doping.

cond-mat.str-el↗

arXiv2012

Impact of the valley degree of freedom on the control of donor electrons near a Si/SiO_2 interface

We analyze the valley composition of one electron bound to a shallow donor close to a Si/barrier interface as a function of an applied electric field. A full six-valley effective mass model Hamiltonian is adopted. For low fields, the electron ground state is essentially confined at the donor. At high fields the ground state is such that the electron is drawn to the interface, leaving the donor practically ionized. Valley splitting at the interface occurs due to the valley-orbit coupling, V_vo^I = |V_vo^I| e^{i theta}. At intermediate electric fields, close to a characteristic shuttling field, the electron states may constitute hybridized states with valley compositions different from the donor and the interface ground states. The full spectrum of energy levels shows crossings and anti-crossings as the field varies. The degree of level repulsion, thus the width of the anti-crossing gap, depends on the relative valley compositions, which vary with |V_vo^I|, theta and the interface-donor distance. We focus on the valley configurations of the states involved in the donor-interface tunneling process, given by the anti-crossing of the three lowest eigenstates. A sequence of two anti-crossings takes place and the complex phase theta affects the symmetries of the eigenstates and level anti-crossing gaps. We discuss the implications of our results on the practical manipulation of donor electrons in Si nanostructures.

cond-mat.mes-hall↗

arXiv2011

Magnetic Field Probing of an SU(4) Kondo Resonance in a Single Atom Transistor

Semiconductor nano-devices have been scaled to the level that transport can be dominated by a single dopant atom. In the strong coupling case a Kondo effect is observed when one electron is bound to the atom. Here, we report on the spin as well as orbital Kondo ground state. We experimentally as well than theoretically show how we can tune a symmetry transition from a SU(4) ground state, a many body state that forms a spin as well as orbital singlet by virtual exchange with the leads, to a pure SU(2) orbital ground state, as a function of magnetic field. The small size and the s-like orbital symmetry of the ground state of the dopant, make it a model system in which the magnetic field only couples to the spin degree of freedom and allows for observation of this SU(4) to SU(2) transition.

cond-mat.mes-hall↗

arXiv2011

Intervalley coupling for interface-bound electrons in silicon: An effective mass study

Orbital degeneracy of the electronic conduction band edge in silicon is a potential roadblock to the storage and manipulation of quantum information involving the electronic spin degree of freedom in this host material. This difficulty may be mitigated near an interface between Si and a barrier material, where intervalley scattering may couple states in the conduction ground state, leading to nondegenerate orbital ground and first excited states. The level splitting is experimentally found to have a strong sample dependence, varying by orders of magnitude for different interfaces and samples. The basic physical mechanisms leading to such coupling in different systems are addressed. We expand our recent study based on an effective mass approach, incorporating the full plane-wave expansions of the Bloch functions at the conduction band minima. Physical insights emerge naturally from a simple Si/barrier model. In particular, we present a clear comparison between ours and different approximations and formalisms adopted in the literature and establish the applicability of these approximations in different physical scenarios.

cond-mat.mes-hall↗

arXiv2010

Conductivity anisotropy in the antiferromagnetic state of iron pnictides

Recent experiments on iron pnictides have uncovered a large in-plane resistivity anisotropy with a surprising result: the system conducts better in the antiferromagnetic x direction than in the ferromagnetic y direction. We address this problem by calculating the ratio of the Drude weight along the x and y directions, Dx/Dy, for the mean-field Q=(π,0) magnetic phase diagram of a five-band model for the undoped pnictides. We find that Dx/Dy ranges between 0.3 < D_x/D_y < 1.4 for different interaction parameters. Large values of orbital ordering favor an anisotropy opposite to the one found experimentally. On the other hand D_x/D_y is strongly dependent on the topology and morfology of the reconstructed Fermi surface. Our results points against orbital ordering as the origin of the observed conductivity anisotropy, which may be ascribed to the anisotropy of the Fermi velocity.

cond-mat.supr-con↗

arXiv2009

Physical mechanisms of interface-mediated intervalley coupling in Si

The conduction band degeneracy in Si is detrimental to quantum computing based on spin qubits, for which a nondegenerate ground orbital state is desirable. This degeneracy is lifted at an interface with an insulator as the spatially abrupt change in the conduction band minimum leads to intervalley scattering. We present a theoretical study of the interface-induced valley splitting in Si that provides simple criteria for optimal fabrication parameters to maximize this splitting. Our work emphasizes the relevance of different interface-related properties to the valley splitting.

cond-mat.mtrl-sci↗

arXiv2007

The current spin on manganites

In a material, the existence and coexistence of phases with very different magnetic and electronic properties is both unusual and surprising. Manganites in particular capture the imagination because they demonstrate a complexity that belies their chemically single-phase nature. This complexity arises because the magnetic, electronic and crystal structures interact with one another to deliver exotic magnetic and electronic phases that coexist. This coexistence is self-organized and yet readily susceptible to external perturbations, permitting subtle and imaginative experiments of the type that we describe here. Moreover, these experiments reveal that each competing phase itself remains an incompletely solved mystery.

cond-mat.mtrl-sci↗

arXiv2005

Strain control of superlattice implies weak charge-lattice coupling in La$_{0.5}$Ca$_{0.5}$MnO$_3$

We have recently argued that manganites do not possess stripes of charge order, implying that the electron-lattice coupling is weak [Phys Rev Lett \textbf{94} (2005) 097202]. Here we independently argue the same conclusion based on transmission electron microscopy measurements of a nanopatterned epitaxial film of La$_{0.5}$Ca$_{0.5}$MnO$_3$. In strain relaxed regions, the superlattice period is modified by 2-3% with respect to the parent lattice, suggesting that the two are not strongly tied.

cond-mat.mes-hall↗

arXiv2002

Impurity-Semiconductor Band Hybridization Effects on the Critical Temperature of Diluted Magnetic Semiconductors

We have studied the critical temperature of Diluted Magnetic Semiconductors by means of Monte Carlo simulations and Coherent-Potential-Approximation (CPA) calculations. In our model for this syste m, the magnetic ions couple with the carriers through an antiferromagnetic exchange interaction, $J$, and an electrostatic interaction $W$. The effective impurity potential $J-W$ controls the hybridization between the magnetic impurities and the hole charge on the dopants. We find that the critical temperature depends substantially on the hole charge on the magnetic impurities. The CPA critical temperature is always lower than the obtained in the Monte Carlo simulations, although all trends in the simulation results are reproduced in the CPA calculations. Finally we predict the existence of pockets of phase segregation instability close to the carriers band edges.

cond-mat.mtrl-sci↗

arXiv1998

Conductance as a Function of the Temperature in the Double Exchange Model

We have used the Kubo formula to calculate the temperature dependence of the electrical conductance of the double exchange Hamiltonian. We average the conductance over an statistical ensemble of clusters, which are obtained by performing Monte Carlo simulations on the classical spin orientation of the double exchange Hamiltonian. We find that for electron concentrations bigger than 0.1, the system is metallic at all temperatures. In particular it is not observed any change in the temperature dependence of the resistivity near the magnetical critical temperature. The calculated resistivity near $T_c$ is around ten times smaller than the experimental value. We conclude that the double exchange model is not able to explain the metal to insulator transition which experimentally occurs at temperatures near the magnetic critical temperature.

cond-mat.str-el↗