Related papers: Probing Magnetism in Self-Assembled Organometallic…
The electronic structure, magnetic properties and phase formation of hexagonal ferromagnetic Fe$_{3}$Sn-based alloys have been studied from first principles and by experiment. The pristine Fe$_{3}$Sn compound is known to fulfill all the…
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…
Orbital-selective correlations have been observed to play an important role in Fe-based superconductors. Here, in contrast to previous site-local Mott transition-based origins, we present a band-theory-based mechanism for orbital-selective…
We have investigated the element specific magnetic characteristics of single-crystal FeCr2S4 using x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). We have found that the Fe L2,3-edge XAS spectra do not…
We use co-tunneling spectroscopy to investigate spin-, orbital-, and spin-orbital Kondo transport in a strongly confined system of InAs double quantum dots (QDs) parallel-coupled to source and drain. In the one-electron transport regime,…
We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the…
We investigate the electronic structure of a planar mononuclear Cu-based molecule [Cu(C$_6$H$_4$S$_2$)$_2$]$^z$ in two oxidation states ($z$$=$$-2$, $-$1) using density-functional theory (DFT) with Fermi-L\"owdin orbital (FLO)…
Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain…
Single molecule magnets and single spin centers can be individually addressed when coupled to contacts forming an electrical junction. In order to control and engineer the magnetism of quantum devices, it is necessary to quantify how the…
Single magnetic atoms or molecules with large single-ion magnetic anisotropy are highly desired for future applications in high-density data storage and quantum computation. Here we have synthesized an Fe-porphyrin complex on Au(111)…
The simplified bandstructure introduced by Mazurenko et al to model FeSi is used to analyze the singlet semiconductor to ferromagnetic metal transition in the isoelectronic isostructural alloys, FeSi$_{1-x}$Ge$_x$. The complex bandstructure…
We have developed a multi-orbital approach to compute the electronic structure of a quantum impurity using the non-crossing approximation. The calculation starts with a mean-field evaluation of the system's electronic structure using a…
Hund's metals are multi-orbital systems with $3d$ or $4d$ electrons exhibiting both itinerant character and local moments, and they feature Kondo-like screenings of local orbital and spin moments, with suppressed coherence temperature…
The effect of local environment on the formation of magnetic moments on Fe atoms in iron silicides are studied by combination of ab initio and model calculations. The suggested model includes all Fe d- and Si p-orbitals, intra-atomic…
Nowdays, multiferroic materials with magnetoelectric coupling have many real-world applications in the fields of novel memory devices. It is challenging is to create multiferroic materials with strongly coupled ferroelectric and…
Few examples of the exploitation of molecular magnetic properties in molecular electronics are known to date. Here we propose the realization of Self assembled monolayers (SAM) of a particular stable organic radical. This radical is meant…
Two-dimensional van der Waals (vdW) ferromagnets drive the advancement in spintronic applications and enable the exploration of exotic magnetism in low-dimensional systems. The entanglement of dual $-$ localized and itinerant $-$ nature of…
The interplay of electronic nematic modulations, magnetic order, superconductivity and structural distortions in strongly correlated electron materials calls for methods which allow characterizing them simultaneously - to allow establishing…
Magnetic adatom chains on superconductors provide a platform to explore correlated spin states and emergent quantum phases. Using low-temperature scanning tunneling spectroscopy, we study the distance-dependent interaction between Fe atoms…
By moving individual Fe-Porphyrin-based molecules with the tip of Scanning Tunneling Microscope in the vicinity of a Br-atom containing elbow of the herringbone-reconstructed Au(111), we reversibly and continuously control their magnetic…