arXiv subjects

P. Bruno

Publications and source records attributed to P. Bruno.

At least 55 records · Page 3Linked to original sources

arXiv2009

Magnetic Anisotropy and Magnetization Dynamics of Individual Atoms and Clusters of Fe and Co on Pt(111)

The recently discovered giant magnetic anisotropy of single magnetic Co atoms raises the hope of magnetic storage in small clusters. We present a joint experimental and theoretical study of the magnetic anisotropy and the spin dynamics of Fe and Co atoms, dimers, and trimers on Pt(111). Giant anisotropies of individual atoms and clusters as well as lifetimes of the excited states were determined with inelastic scanning tunneling spectroscopy. The short lifetimes due to hybridization-induced electron-electron scattering oppose the magnetic stability provided by the magnetic anisotropies.

cond-mat.mtrl-sci↗

arXiv2008

Manipulating magnetism and conductance of an adatom-molecule junction on metal surfaces: ab initio study

The state of the art ab initio calculations reveal the effect of a scanning tunnelling microscopy tip on magnetic properties and conductance of a benzene-adatom sandwich on Cu(001). We concentrate on a benzene-Co system interacting with a Cr tip. Our studies give a clear evidence that magnetism and conductance in molecule-adatom junctions can be tailored by the STM tip. Varying the tip-substrate distance the magnetic moment of the Co adatom can be switched on/off. The interplay between spin-polarized electron transport through the junction and its magnetic properties is demonstrated. A spin-filter effect in the junction is predicted.

cond-mat.mtrl-sci↗

arXiv2008

Tailoring exchange interactions in engineered nanostructures: Ab initio study

We present a novel approach to spin manipulation in atomic-scale nanostructures. Our ab initio calculations clearly demonstrate that it is possible to tune magnetic properties of sub-nanometer structures by adjusting the geometry of the system. By the example of two surface-based systems we demonstrate that (i) the magnetic moment of a single adatom coupled to a buried magnetic Co layer can be stabilized in either a ferromagnetic or an antiferromagnetic configuration depending on the spacer thickness. It is found that a buried Co layer has a profound effect on the exchange interaction between two magnetic impurities on the surface. (ii) The exchange interaction between magnetic adatoms can be manipulated by introducing artificial nonmagnetic Cu chains to link them.

cond-mat.mes-hall↗

arXiv2007

Role of the conduction electrons in mediating exchange interactions in Heusler alloys

Because of large spatial separation of the Mn atoms in Heusler alloys the Mn 3d states belonging to different atoms do not overlap considerably. Therefore an indirect exchange interaction between Mn atoms should play a crucial role in the ferromagnetism of the systems. To study the nature of the ferromagnetism of various Mn-based semi- and full-Heusler alloys we perform a systematic first-principles calculation of the exchange interactions in these materials. The calculation of the exchange parameters is based on the frozen-magnon approach. The calculations show that the magnetism of the Mn-based Heusler alloys depends strongly on the number of conduction electrons, their spin polarization and the position of the unoccupied Mn 3d states with respect to the Fermi level. Various magnetic phases are obtained depending on the combination of these characteristics. The Anderson's s-d model is used to perform a qualitative analysis of the obtained results. The conditions leading to diverse magnetic behavior are identified. If the spin polarization of the conduction electrons at the Fermi energy is large and the unoccupied Mn 3d states lie well above the Fermi level, an RKKY-type ferromagnetic interaction is dominating. On the other hand, the contribution of the antiferromagnetic superexchange becomes important if unoccupied Mn 3d states lie close to the Fermi energy. The resulting magnetic behavior depends on the competition of these two exchange mechanisms. The calculational results are in good correlation with the conclusions made on the basis of the Anderson s-d model which provides useful framework for the analysis of the results of first-principles calculations and helps to formulate the conditions for high Curie temperature.

cond-mat.mtrl-sci↗

arXiv2007

Size-dependent Surface States on Strained Cobalt Nanoislands on Cu(111)

Low-temperature scanning tunneling spectroscopy over Co nanoislands on Cu(111) showed that the surface states of the islands vary with their size. Occupied states exhibit a sizeable downward energy shift as the island size decreases. The position of the occupied states also significantly changes across the islands. Atomic-scale simulations and ab inito calculations demonstrate that the driving force for the observed shift is related to size-dependent mesoscopic relaxations in the nanoislands.

cond-mat.mtrl-sci↗

arXiv2007

Exchange interaction between single magnetic adatoms

The magnetic coupling between single Co atoms adsorbed on a copper surface is determined by probing the Kondo resonance using low-temperature scanning tunneling spectroscopy. The Kondo resonance, which is due to magnetic correlation effects between the spin of a magnetic adatom and the conduction electrons of the substrate, is modified in a characteristic way by the coupling of the neighbouring adatom spins. Increasing the interatomic distance of a Cobalt dimer from 2.56A to 8.1A we follow the oscillatory transition from ferromagnetic to antiferromagnetic coupling. Adding a third atom to the antiferromagnetically coupled dimer results in the formation of a collective correlated state.

cond-mat.str-el↗

arXiv2006

Magnetic phase diagram of the semi-Heusler alloys from first-principles

The magnetic phase diagram of the Mn-based semi-Heusler alloys is determined at T=0 using first-principles calculations in conjunction with the frozen-magnon approximation. We show that the magnetism in these systems strongly depends on the number of conduction electrons, their spin polarization and the position of the unoccupied Mn 3d states with respect to Fermi energy. Various magnetic phases are obtained depending on these characteristics. The conditions leading to diverse magnetic behavior are identified. We find that in the case of a large conduction electron spin polarization and the unoccupied Mn 3d states lying far above the Fermi level, an RKKY-like ferromagnetic interaction is dominating. On the other hand, the antiferromagnetic superexchange becomes important in the presence of large peaks of the unoccupied Mn 3d states lying close to the Fermi energy. The overall magnetic behavior depends on the competition of these two exchange mechanisms. The obtained results are in very good agreement with the available experimental data.

cond-mat.mtrl-sci↗

arXiv2006

The Integral Field Spectrograph of SPHERE: the Planet Finder for VLT

SPHERE is an instrument designed and built by a consortium of French, German, Italian, Swiss and Dutch institutes in collaboration with ESO. The project is currently in its Phase B. The main goal of SPHERE is to gain at least one order of magnitude with respect to the present VLT AO facility (NACO) in the direct detection of faint objects very close to a bright star, especially giant extrasolar planets. Apart from a high Strehl ratio, the instrument will be designed to reduce the scattered light of the central bright star and subtract the residual speckle halo. Sophisticated post-AO capabilities are needed to provide maximum detectivity and possibly physical data on the putative planets. The Integral Field Spectrograph (IFS), one of the three scientific channels foreseen in the SPHERE design, is a very low resolution spectrograph (R~20) which works in the near IR (0.95-1.35 micron), an ideal wavelength range for the ground based detection of planetary features. Its goal is to suppress speckle to a contrast of 10^7, with a goal of 10^8, and at the same time provide spectral information in a field of view of about 1.5 x 1.5 arcsecs^2 in proximity of the target star. In this paper we describe the overall IFS design concept.

astro-ph↗

arXiv2006

Study of the topological Hall effect on simple models

Recently, a chirality-driven contribution to the anomalous Hall effect has been found that is induced by the Berry phase and does not directly involve spin-orbit coupling. In this paper, we will investigate this effect numerically in a two-dimensional electron gas with a simple magnetic texture model. Both the adiabatic and non-adiabatic regimes are studied, including the effect of disorder. By studying the transition between both regimes the discussion about the correct adiabaticity criterium in the diffusive limit is clarified.

cond-mat.mes-hall↗

arXiv2005

Exchange interactions and temperature dependence of the magnetization in half--metallic Heusler alloys

We study the exchange interactions in half-metallic Heusler alloys using first-principles calculations in conjunction with the frozen-magnon approximation. The Curie temperature is estimated within both mean-field (MF) and random-phase-approximation (RPA) approaches. For the half-Heusler alloys NiMnSb and CoMnSb the dominant interaction is between the nearest Mn atoms. In this case the MF and RPA estimations differ strongly. The RPA approach provides better agreement with experiment. The exchange interactions are more complex in the case of full-Heusler alloys Co$_2$MnSi and Co$_2$CrAl where the dominant effects are the inter-sublattice interactions between the Mn(Cr) and Co atoms and between Co atoms at different sublattices. For these compounds we find that both MF and RPA give very close values of the Curie temperature slightly underestimating experimental quantities. We study the influence of the lattice compression on the magnetic properties. The temperature dependence of the magnetization is calculated using the RPA method within both quantum mechanical and classical approaches.

cond-mat.mtrl-sci↗

arXiv2005

Green's function technique for studying electron flow in 2D mesoscopic samples

In a recent series of scanning probe experiments, it became possible to visualize local electron flow in a two-dimensional electron gas. In this paper, a Green's function technique is presented that enables efficient calculation of the quantity measured in such experiments. Efficient means that the computational effort scales like $M^3 N$ ($M$ is the width of the tight-binding lattice used, and $N$ is its length), which is a factor $MN$ better than the standard recursive technique for the same problem. Moreover, within our numerical framework it is also possible to calculate (with the same computational effort $M^3 N$) the local density of states, the electron density, and the current distribution in the sample, which are not accessible with the standard recursive method. Furthermore, an imaging method is discussed where the scanning tip can be used to measure the local chemical potential. The numerical technique is used to study electron flow through a quantum point contact. All features seen in experiments on this system are reproduced and a new interference effect is observed resulting from the crossing of coherent beams of electron flow.

cond-mat.mes-hall↗

arXiv2005

Above-room-temperature ferromagnetism in half-metallic Heusler compounds NiCrP, NiCrSe, NiCrTe and NiVAs: A first-principles study

We study the interatomic exchange interactions and Curie temperatures in half-metallic semi Heusler compounds NiCrZ (Z=P, Se, Te) and NiVAs. The study is performed within the framework of density functional theory. The calculation of exchange parameters is based on the frozen-magnon approach. It is shown that the exchange interactions in NiCrZ vary strongly depending on the Z constituent. The Curie temperature, Tc, is calculated within the mean field and random phase approximations. The difference between two estimations is related to the properties of the exchange interactions. The predicted Curie temperatures of all four systems are considerably higher than room temperature. The relation between the half-metallicity and the value of the Curie temperature is discussed. The combination of a high spin-polarization of charge carriers and a high Curie temperature makes these Heusler alloys interesting candidates for spintronics applications.

cond-mat.mtrl-sci↗

arXiv2005

First-principles study of exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn2VZ (Z=Al, Ge)

We report the parameter-free, density functional theory calculations of interatomic exchange interactions and Curie temperatures of half-metallic ferrimagnetic full Heusler alloys Mn2VZ (Z=Al, Ge). To calculate the interatomic exchange interactions we employ the frozen-magnon approach. The Curie temperatures are calculated within the mean-field approximation to the classical Heisenberg Hamiltonian by solving a matrix equation for a multi-sublattice system. Our calculations show that, although a large magnetic moment is carried by Mn atoms, competing ferromagnetic (inter sublattice) and antiferromagnetic (intra sublattice) Mn-Mn interactions in Mn2VAl almost cancel each other in the mean-field experienced by the Mn atoms. In Mn2VGe the leading Mn-Mn exchange interaction is antiferromagnetic. In both compounds the ferromagnetism of the Mn subsystem is favored by strong antiferromagnetic Mn-V interactions. The obtained value of the Curie temperature of Mn2VAl is in good agrement with experiment. For Mn2VGe there is no experimental information available and our calculation is a prediction.

cond-mat.mtrl-sci↗

arXiv2005

Magnetic exchange coupling and Curie temperature of Ni(1+x)MnSb (x=0, 0.25, 0.5, 0.75, 1) from first principles

We study the dependence of magnetic interactions and Curie temperature in Ni(1+x)MnSb system on the Ni concentration within the framework of the density-functional theory. The calculation of the exchange parameters is based on the super-cell and frozen-magnon approaches. The Curie temperatures, Tc, are calculated within the random-phase approximation. In agreement with experiment we obtain decrease of the Curie temperature with increasing Ni content.

cond-mat.mtrl-sci↗

arXiv2005

Pressure dependence of the Curie temperature in Ni2MnSn Heusler alloy: A first-principles study

The pressure dependence of electronic structure, exchange interactions and Curie temperature in ferromagnetic Heusler alloy Ni2MnSn has been studied theoretically within the framework of the density-functional theory. The calculation of the exchange parameters is based on the frozen--magnon approach. The Curie temperature, Tc, is calculated within the mean-field approximation by solving the matrix equation for a multi-sublattice system. In agrement with experiment the Curie temperature increased from 362K at ambient pressure to 396 at 12 GPa. Extending the variation of the lattice parameter beyond the range studied experimentally we obtained non-monotonous pressure dependence of the Curie temperature and metamagnetic transition. We relate the theoretical dependence of Tc on the lattice constant to the corresponding dependence predicted by the empirical interaction curve. The Mn-Ni atomic interchange observed experimentally is simulated to study its influence on the Curie temperature.

cond-mat.mtrl-sci↗

arXiv2005

Stability of ferromagnetism in the half-metallic pnictides and similar compounds: A first-principles study

Based on first-principles electron structure calculations and employing the frozen-magnon approximation we study the exchange interactions in a series of transition-metal binary alloys crystallizing in the zinc-blende structure and calculate the Curie temperature within both the mean-field approximation (MFA) and random-phase approximation (RPA). We study two Cr compounds, CrAs and CrSe, and four Mn compounds: MnSi, MnGe, MnAs and MnC. MnC, MnSi and MnGe are isovalent to CrAs and MnAs is isoelectronic with CrSe. Ferromagnetism is particular stable for CrAs, MnSi and MnGe: All three compounds show Curie temperatures around 1000 K. On the other hand, CrSe and MnAs show a tendency to antiferromagnetism when compressing the lattice. In MnC the half-metallic gap is located in the majority-spin channel contrary to the other five compounds. The large half-metallic gaps, very high Curie temperatures, the stability of the ferromagnetism with respect to the variation of the lattice parameter and a coherent growth on semiconductors make MnSi and CrAs most promising candidates for the use in spintronics devises.

cond-mat.mtrl-sci↗

arXiv2005

Berry phase of magnons in textured ferromagnets

We study the energy spectrum of magnons in a ferromagnet with topologically nontrivial magnetization profile. In the case of inhomogeneous magnetization corresponding to a metastable state of ferromagnet, the spin-wave equation of motion acquires a gauge potential leading to a Berry phase for the magnons propagating along a closed contour. The effect of magnetic anisotropy is crucial for the Berry phase: we show that the anisotropy suppresses its magnitude, which makes the Berry phase observable in some cases, similar to the Aharonov-Bohm effect for electrons. For example, it can be observed in the interference of spin waves propagating in mesoscopic rings. We discuss the effect of domain walls on the interference in ferromagnetic rings, and propose some experiments with a certain geometry of magnetization. We also show that the nonvanishing average topological field acts on the magnons like a uniform magnetic field on electrons. It leads to the quantization of the magnon spectrum in the topological field.

cond-mat.mtrl-sci↗

arXiv2005

Anomalous Hall effect in a two-dimensional electron gas with spin-orbit interaction

We discuss the mechanism of anomalous Hall effect related to the contribution of electron states below the Fermi surface (induced by the Berry phase in momentum space). Our main calculations are made within a model of two-dimensional electron gas with spin-orbit interaction of the Rashba type, taking into account the scattering from impurities. We demonstrate that such an "intrinsic" mechanism can dominate but there is a competition with the impurity-scattering mechanism, related to the contribution of states in the vicinity of Fermi surface. We also show that the contribution to the Hall conductivity from electron states close to the Fermi surface has the intrinsic properties as well.

cond-mat.mtrl-sci↗