Related papers: Hyperfine structure of Sc@C82 from ESR and DFT
The field-angular dependence and anisotropy of the critical current density in iron-based superconductors is evaluated using a phenomenological approach featuring distinct anisotropy factors for the penetration depth and the coherence…
Density functional theory (DFT) is used to rationalize magnetic parameters of hydrated electron trapped in alkaline glasses as observed using Electron Paramagnetic Resonance (EPR) and Electron Spin Echo Envelope Modulation (ESEEM)…
Electronic and magnetic properties of the heavily H-doped LaFeAsO$_{1-x}$H$_x$ $(x\sim0.5 )$ were studied in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). We found a…
A series of electron spin resonance (ESR) experiments were performed on a single crystal of the heavy fermion metal YbIr2Si2 to map out the anisotropy of the ESR-intensity I_ESR which is governed by the microwave field component of the…
The transferred hyperfine interaction between nuclear and electron spins in an heavy fermion material depends on the hybridization between the $f$-electron orbitals and those surrounding a distant nucleus. In CeMIn$_5$ (M=Rh, Ir, Co), both…
Anisotropic electronic transport is a possible route towards nanoscale circuitry design, particularly in two-dimensional materials. Proposals to introduce such a feature in patterned graphene have to date relied on large-scale structural…
In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate compounds containing a ferrocene moiety which is connected to i) thiol anchor groups on both…
We establish the presence of topologically protected edge states on the (001) surface of HgS in the zinc-blende structure using density-functional electronic structure calculations. The Dirac point of the edge state cone is very close to…
A multi-frequency electron spin resonance (ESR) study provides evidence for the occurrence of low temperature ferromagnetic/spin-glass behavior in aligned arrays of sub-nanometer single walled carbon nanotubes confined in zeolite…
We study the modification of the electronic structure in the strong spin-orbit coupled Sr$_2$IrO$_4$ by epitaxial strain using density functional methods. Structural optimization shows that strain changes the internal structural parameters…
Carbon based systems are prominent candidates for a solid-state spin-qubit due to weak spin-orbit and hyperfine interactions in combination with a low natural abundance of spin carrying isotopes. We consider the effect of the hyperfine…
We investigate hyperfine interaction (HFI) using density-functional theory for several open-shell planar $sp^2$-carbon nanostructures displaying $\pi$ magnetism. Our prototype structures include both benzenoid ([$n$]triangulenes and a…
We used electron spin resonance (ESR) combined with scanning tunneling microscopy (STM) to measure hydrogenated Ti (spin-1/2) atoms at low-symmetry binding sites on MgO in vector magnetic fields. We found strongly anisotropic g-values in…
Chiral magnetic textures, such as skyrmions, are of great interest to the condensed matter community due to their novel transport properties. The stabilization of topologically non-trivial magnetic phases, like the skyrmion lattice in MnSi,…
Dirac electrons in graphene are to lowest order spin 1/2 particles, owing to the orbital symmetries at the Fermi level. However, anisotropic corrections in the $g$-factor appear due to the intricate spin-valley-orbit coupling of chiral…
The structural and magnetic anomaly of the layered compound SrFeO$_{2}$ were examined by first principles density functional calculations and Monte Carlo simulations. The down-spin Fe 3$d$ electron occupies the $d_{z^2}$ level rather than…
Cu(C$_8$H$_6$N$_2$)Cl$_2$, a strong-rung spin-1/2 Heisenberg ladder compound, is probed by means of electron spin resonance (ESR) spectroscopy in the field-induced gapless phase above $H_{c1}$. The temperature dependence of the ESR…
We compare theoretical results for electron spin resonance (ESR) properties of the Heisenberg-Ising Hamiltonian with ESR experiments on the quasi-one-dimensional magnet Cu(py)$_2$Br$_2$ (CPB). Our measurements were performed over a wide…
Germanium is a widely used material for electronic and optoelectronic devices and recently it has become an important material for spintronics and quantum computing applications. Donor spins in silicon have been shown to support very long…
Metallorganic molecules have been proposed as excellent spin filters in molecular spintronics because of the large spin-polarization of their electronic structure. However, most of the studies involving spin transport, have disregarded…