arXiv subjects

Frithjof Anders

Publications and source records attributed to Frithjof Anders.

8 recordsLinked to original sources

arXiv2025

Momentum-Resolved Electronic Structure and Orbital Hybridization in the Layered Antiferromagnet CrPS$_4$

Chromium thiophosphate (CrPS$_4$) is a layered two-dimensional antiferromagnetic semiconductor exhibiting intriguing spintronic and magneto-optical properties, yet its electronic band structure has remained experimentally uncharacterized. Here, we employ momentum-resolved photoemission spectroscopy above and below the N\'eel temperature, complemented by density functional theory with Hubbard U corrections (DFT+U), to reveal a valence band dominated by Cr $3d$ and S $3p$ states with a ligand-to-metal charge-transfer band gap. We identify weakly hybridized t$_{2g}$ orbitals responsible for magnetic ordering and strongly hybridized e$_{g}$ orbitals that relax dipole selection rules, enabling optically active orbital transitions. These findings establish a foundational understanding of CrPS$_4$'s electronic structure, providing a benchmark for theoretical models and informing future investigations into its orbital physics and potential device applications.

cond-mat.mtrl-sci↗

arXiv2024

Tracing d-d transitions in FePS$_{3}$ on ultrafast time scales

Excitations between localized 3d states of transition metal ions within crystalline solids, commonly known as d-d transitions, play a pivotal role in diverse phenomena across solid state physics, materials science, and chemistry. These transitions contribute to the coloration in transition metal oxides, catalytic processes on oxide surfaces, and high-temperature superconductivity. They also couple optical excitation to quantized collective phenomena such as phonons and magnons in magnetic systems. Until now, an experimental method to unravel the complex quasiparticle dynamics associated with d-d transitions has remained elusive. We bridge this gap by demonstrating that d-d transitions can be distinctly traced in momentum space and time using time- and angle-resolved photoelectron spectroscopy (trARPES). Through this approach, we can assign specific momentum-dependent characteristics and elucidate the decay mechanisms of specific d-d transitions in FePS$_{3}$, a two-dimensional van der Waals antiferromagnet with a rich array of quantum phenomena stemming from d-d transitions. This study pioneers the use of ARPES in probing the dynamics of d-d transitions across a wide spectrum of solid-state systems.

cond-mat.mtrl-sci↗

arXiv2018

Quantum Critical Transition and Kondo Screening of Magnetic Moments in Graphene

In normal metals, the magnetic moment of impurity spins disappears below a characteristic Kondo temperature, TK, where coupling with the conduction-band electrons produces an entangled state that screens the local moment. In contrast, moments embedded in insulators remain unscreened at all temperatures. This raises the question about the fate of magnetic moments in intermediate, pseudogap systems, such as graphene. In these systems theory predicts a quantum phase-transition at a critical coupling strength which separates a local magnetic-moment phase from a Kondo screened phase. However, attempts to experimentally confirm these predictions and their intriguing consequences such as the ability to electrostatically control magnetic moments, have thus far been elusive. Here we report the observation of Kondo screening and the quantum phase-transition between screened and unscreened phases of vacancy magnetic-moments in graphene. Using scanning tunneling microscopy (STM), spectroscopy (STS) and numerical renormalization group (NRG) calculations, we identified Kondo screening by its spectroscopic signature and mapped the phase-transition as a function of coupling strength and chemical potential. We show that this transition makes it possible to turn the magnetic-moment on and off electrostatically through a gate voltage or mechanically through variations in local curvature.

cond-mat.mes-hall↗

arXiv2016

Exchange couplings for Mn ions in CdTe: validity of spin models for dilute magnetic II-VI semiconductors

We employ density-functional theory (DFT) in the generalized gradient approximation (GGA) and its extensions GGA+$U$ and GGA+Gutzwiller to calculate the magnetic exchange couplings between pairs of Mn ions substituting Cd in a CdTe crystal at very small doping. DFT(GGA) overestimates the exchange couplings by a factor of three because it underestimates the charge-transfer gap in Mn-doped II-VI semiconductors. Fixing the nearest-neighbor coupling $J_1$ to its experimental value in GGA+$U$, in GGA+Gutzwiller, or by a simple scaling of the DFT(GGA) results provides acceptable values for the exchange couplings at 2nd, 3rd, and 4th neighbor distances in Cd(Mn)Te, Zn(Mn)Te, Zn(Mn)Se, and Zn(Mn)S. In particular, we recover the experimentally observed relation $J_4>J_2,J_3$. The filling of the Mn 3$d$-shell is not integer which puts the underlying Heisenberg description into question. However, using a few-ion toy model the picture of a slightly extended local moment emerges so that an integer $3d$-shell filling is not a prerequisite for equidistant magnetization plateaus, as seen in experiment.

cond-mat.str-el↗

arXiv2013

Influence of vibrational modes on the quantum transport through a nano-device

We use the recently proposed scattering states numerical renormalization group (SNRG) approach to calculate $I(V)$ and the differential conductance through a single molecular level coupled to a local molecular phonon. We also discuss the equilibrium physics of the model and demonstrate that the low-energy Hamiltonian is given by an effective interacting resonant level model. From the NRG level flow, we directly extract the effective charge transfer scale $Γ_{\rm eff}$ and the dynamically induced capacitive coupling $U_{\rm eff}$ between the molecular level and the lead electrons which turns out to be proportional to the polaronic energy shift $E_p$ for the regimes investigated here. The equilibrium spectral functions for the different parameter regimes are discussed. The additional phonon peaks at multiples of the phonon frequency $\w_0$ correspond to additional maxima in the differential conductance. Non-equilibrium effects, however, lead to significant deviations between a symmetric junction and a junction in the tunnel regime. The suppression of the current for asymmetric junctions with increasing electron-phonon coupling, the hallmark of the Franck-Condon blockade, is discussed with a simple framework of a combination of (i) polaronic level shifts and (ii) the effective charge transfer scale $Γ_{\rm eff}$.

cond-mat.str-el↗

arXiv2009

The mass-flow error in the Numerical Renormalization Group method and the critical behavior of the sub-ohmic spin-boson model

We discuss a particular source of error in the Numerical Renormalization Group (NRG) method for quantum impurity problems, which is related to a renormalization of impurity parameters due to the bath propagator. At any step of the NRG calculation, this renormalization is only partially taken into account, leading to systematic variation of the impurity parameters along the flow. This effect can cause qualitatively incorrect results when studying quantum critical phenomena, as it leads to an implicit variation of the phase transition's control parameter as function of the temperature and thus to an unphysical temperature dependence of the order-parameter mass. We demonstrate the mass-flow effect for bosonic impurity models with a power law bath spectrum, J(w) ~ w^s, namely the dissipative harmonic oscillator and the spin-boson model. We propose an extension of the NRG to correct the mass-flow error. Using this, we find unambiguous signatures of a Gaussian critical fixed point in the spin-boson model for s<1/2, consistent with mean-field behavior as expected from quantum-to-classical mapping.

cond-mat.stat-mech↗

arXiv2005

Charge gaps and quasiparticle bands of the ionic Hubbard model

The ionic Hubbard model on a cubic lattice is investigated using analytical approximations and Wilson's renormalization group for the charge excitation spectrum. Near the Mott insulating regime, where the Hubbard repulsion starts to dominate all energies, the formation of correlated bands is described. The corresponding partial spectral weights and local densities of states show characteristic features, which compare well with a hybridized-band picture appropriate for the regime at small $U$, which at half-filling is known as a band insulator. In particular, a narrow charge gap is obtained at half-filling, and the distribution of spectral quasi-particle weight reflects the fundamental hybridization mechanism of the model.

cond-mat.str-el↗

arXiv1999

Phase diffusion and suppression of the supercurrent by quantum-mechanical fluctuations of the Josephson plasma

The RCSJ model of resistively and capacitively shunted Josephson junctions is used to describe superconducting point contacts over a wide range of resistances up to the metallic -- tunneling transition. Their small dynamic capacitance of order $C = 0.1 $fF due to the point-contact geometry results in a huge plasma frequency. The critical current is then strongly suppressed and the contact resistance becomes finite because of quantum-mechanical zero-point fluctuations of the Josephson plasma and the rather large escape rate out of the zero-voltage state due to quantum tunneling. We test the predictions of the RCSJ model on the classical superconductors lead, indium, aluminum, and cadmium.

cond-mat.supr-con↗