Multiorbital Kondo physics of Co in Cu hosts

Surer, Brigitte; Troyer, Matthias; Werner, Philipp; Wehling, T. O.; Läuchli, Andreas M.; Wilhelm, Aljoscha; Lichtenstein, A. I.

doi:10.1103/physrevb.85.085114

Cited by 56 publications

(77 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A nano-DMFT scheme has been already proposed by Florens 22 , relying however on a specific cayley-tree geometry. Realistic calculations of strongly correlated transition metal nanoscopic devices and of correlated ad-atoms on surfaces have been also recently carried out by Jacob et al 23 and by Surer et al 24 , respectively.…”

Section: Methodsmentioning

confidence: 99%

Correlation effects in transport properties of interacting nanostructures

et al. 2012

View full text Add to dashboard Cite

We discuss how to apply many-body methods to correlated nanoscopic systems, and provide general criteria of validity for a treatment at the dynamical mean field theory (DMFT) approximation level, in which local correlations are taken into account, while non-local ones are neglected. In this respect, we consider one of the most difficult cases for DMFT, namely for a quasi-one-dimensional molecule such as a benzene ring. The comparison against a numerically exact solution shows that non-local spatial correlations are relevant only in the limit of weak coupling between the molecule and the metallic leads and of low inter-atomic connectivity, otherwise DMFT provides a quantitative description of the system. As an application we investigate the role of correlations on electronic transport in quantum junctions, and we show that a local Mott-Hubbard crossover is a robust phenomenon in sharp nanoscopic contacts.

show abstract

Section: Methodsmentioning

confidence: 99%

Correlation effects in transport properties of interacting nanostructures

et al. 2012

View full text Add to dashboard Cite

show abstract

“…The E d energy scale accounts for the Coulomb interaction with the positive charge in the nucleus and has to be included to offset the excess in the Coulomb repulsion in the configurations d n+1 with an extra electron [64]. The matrix H pp = n|H KS |n describes the single-particle p levels of the first-neighbor nitrogen atoms and H dp = m|H KS |n describes their hybridization with the d levels, responsible for the charge fluctuation.…”

Section: B Zero Bandwidth Multi-orbital Anderson Modelmentioning

confidence: 99%

Electronic properties of transition metal atoms onCu2N/Cu(100)

2015

View full text Add to dashboard Cite

We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co, and Ni) deposited on a Cu 2 N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an Anderson model derived from DFT. We use DFT to compare the structural, electronic, and magnetic properties of different transition metal adatoms on the surface. We find that the average occupation of the transition metal d shell, main contributor to the magnetic moment, is not quantized, in contrast with the quantized spin in the model Hamiltonians that successfully describe spin excitations in this system. In order to reconcile these two pictures, we build a zero bandwidth multi-orbital Anderson Hamiltonian for the d shell of the transition metal hybridized with the p orbitals of the adjacent nitrogen atoms, by means of maximally localized Wannier function representation of the DFT Hamiltonian. The exact solutions of this model have quantized total spin, without quantized charge at the d shell. We propose that the quantized spin of the models actually belongs to many-body states with two different charge configurations in the d shell, hybridized with the p orbital of the adjacent nitrogen atoms. This scenario implies that the measured spin excitations are not fully localized at the transition metal.

show abstract

“…In the case of coupling of two orbitals to the same conduction electron states, off-diagonal elements in the hybridization function Δ hyb αα (ω) would occur, describing substrate mediated hopping between impurity levels. In adatom-substrate systems these off-diagonal elements are often either zero or very small [30,31].…”

Section: Model and Methodsmentioning

confidence: 99%

Competition between quantum spin tunneling and Kondo effect

Jacob

Fernández-Rossier

2016

Eur. Phys. J. B

View full text Add to dashboard Cite

Abstract. Quantum spin tunneling and Kondo effect are two very different quantum phenomena that produce the same effect on quantized spins, namely, the quenching of their magnetization. However, the nature of this quenching is very different so that quantum spin tunneling and Kondo effect compete with each other. Importantly, both quantum spin tunneling and Kondo effect produce very characteristic features in the spectral function that can be measured by means of single spin scanning tunneling spectroscopy and allows to probe the crossover from one regime to the other. We model this crossover, and the resulting changes in transport, using a non-perturbative treatment of a generalized Anderson model including magnetic anisotropy that leads to quantum spin tunneling. We predict that, at zero magnetic field, integer spins can feature a split-Kondo peak driven by quantum spin tunneling.

show abstract

Multiorbital Kondo physics of Co in Cu hosts

Cited by 56 publications

References 40 publications

Correlation effects in transport properties of interacting nanostructures

Correlation effects in transport properties of interacting nanostructures

Electronic properties of transition metal atoms onCu2N/Cu(100)

Competition between quantum spin tunneling and Kondo effect

Contact Info

Product

Resources

About