1,094 research outputs found
New type of stable particle like states in chiral magnets (Chiral bobbers)
We present a new type of a thermodynamically stable magnetic state at
interfaces and surfaces of chiral magnets. The state is a soliton solution of
micromagnetic equations localized in all three dimensions near a boundary and
contains a singularity, but nevertheless has a finite energy. Both features
combine to a quasi-particle state for which we expect unusual transport and
dynamical properties. It exhibits high thermal stability and thereby can be
considered as promising object for fundamental research and practical
applications in spintronic devices. We provide arguments that such a state can
be found in different B20-type alloys e.g. MnFeGe,
MnFeSi, FeCoSi.Comment: accepted in PR
Tuning paramagnetic spin-excitations of single adatoms
Around 50 years ago, Doniach [Proc. Phys. Soc. 91, 86 (1967)] predicted the
existence of paramagnons in nearly ferromagnetic materials, recently measured
in bulk Pd [Phys. Rev. Lett. 105, 027207 (2010)]. Here we predict the analogous
effect for single adatoms, namely paramagnetic spin-excitations (PSE). Based on
time-dependent density functional theory, we demonstrate that these overdamped
excitations acquire a well-defined peak structure in the meV energy region when
the adatom's Stoner criterion for magnetism is close to the critical point. In
addition, our calculations reveal a subtle tunability and enhancement of PSE by
external magnetic fields, exceeding by far the response of bulk paramagnons and
even featuring the atomic version of a quantum phase transition. We further
demonstrate how PSE can be detected as moving steps in the
signal of state-of-the-art inelastic scanning tunneling spectroscopy, opening a
potential route for experimentally accessing fundamental electronic properties
of non-magnetic adatoms, such as the Stoner parameter.Comment: 6 pages, 3 figure
Non-collinear Korringa-Kohn-Rostoker Green function method: Application to 3d nanostructures on Ni(001)
Magnetic nanostructures on non-magnetic or magnetic substrates have attracted
strong attention due to the development of new experimental methods with atomic
resolution. Motivated by this progress we have extended the full-potential
Korringa-Kohn-Rostoker (KKR) Green function method to treat non-collinear
magnetic nanostructures on surfaces. We focus on magnetic 3d impurity
nanoclusters, sitting as adatoms on or in the first surface layer on Ni(001),
and investigate the size and orientation of the local moments and moreover the
stabilization of non-collinear magnetic solutions. While clusters of Fe, Co, Ni
atoms are magnetically collinear, non-collinear magnetic coupling is expected
for Cr and Mn clusters on surfaces of elemental ferromagnets. The origin of
frustration is the competition of the antiferromagnetic exchange coupling among
the Cr or Mn atoms with the antiferromagnetic (for Cr) or ferromagnetic (for
Mn) exchange coupling between the impurities and the substrate. We find that Cr
and Mn first-neighbouring dimers and a Mn trimer on Ni(001) show non-collinear
behavior nearly degenerate with the most stable collinear configuration.
Increasing the distance between the dimer atoms leads to a collinear behavior,
similar to the one of the single impurities. Finally, we compare some of the
non-collinear {\it ab-initio} results to those obtained within a classical
Heisenberg model, where the exchange constants are fitted to total energies of
the collinear states; the agreement is surprisingly good.Comment: 11 page
Wannier Function Approach to Realistic Coulomb Interactions in Layered Materials and Heterostructures
We introduce an approach to derive realistic Coulomb interaction terms in
free standing layered materials and vertical heterostructures from ab-initio
modelling of the corresponding bulk materials. To this end, we establish a
combination of calculations within the framework of the constrained random
phase approximation, Wannier function representation of Coulomb matrix elements
within some low energy Hilbert space and continuum medium electrostatics, which
we call Wannier function continuum electrostatics (WFCE). For monolayer and
bilayer graphene we reproduce full ab-initio calculations of the Coulomb matrix
elements within an accuracy of eV or better. We show that realistic
Coulomb interactions in bilayer graphene can be manipulated on the eV scale by
different dielectric and metallic environments. A comparison to electronic
phase diagrams derived in [M. M. Scherer et al., Phys. Rev. B 85, 235408
(2012)] suggests that the electronic ground state of bilayer graphene is a
layered antiferromagnet and remains surprisingly unaffected by these strong
changes in the Coulomb interaction.Comment: 12 pages, 8 figure
Magnetic Phase Control in Monolayer Films by Substrate Tuning
We propose to tailor exchange interactions in magnetic monolayer films by
tuning the adjacent non-magnetic substrate. As an example, we demonstrate a
ferromagnetic-antiferromagnetic phase transition for one monolayer Fe on a
Ta(x)W(1-x)(001) surface as a function of the Ta concentration. At the critical
Ta concentration, the nearest-neighbor exchange interaction is small and the
magnetic phase space is dramatically broadened. Complex magnetic order such as
spin-spirals, multiple-Q, or even disordered local moment states can occur,
offering the possibility to store information in terms of ferromagnetic dots in
an otherwise zero-magnetization state matrix.Comment: after minor changes, 5 pages, 5 figures, revtex
Ferromagnetism in Nitrogen-doped MgO
The magnetic state of Nitrogen-doped MgO, with N substituting O at
concentrations between 1% and the concentrated limit, is calculated with
density-functional methods. The N atoms are found to be magnetic with a moment
of 1 Bohr magneton per Nitrogen atom and to interact ferromagnetically via the
double exchange mechanism. The long-range magnetic order is established above a
finite concentration of about 1.5% when the percolation threshold is reached.
The Curie temperature increases linearly with the concentration, and is found
to be about 30 K for 10% concentration. Besides the substitution of single
Nitrogen atoms, also interstitial Nitrogen atoms, clusters of Nitrogen atoms
and their structural relaxation on the magnetism are discussed. Possible
scenarios of engineering a higher Curie temperature are analyzed, with the
conclusion that an increase of the Curie temperature is difficult to achieve,
requiring a particular attention to the choice of chemistry
Surface state scattering by adatoms on noble metals
When surface state electrons scatter at perturbations, such as magnetic or
nonmagnetic adatoms or clusters on surfaces, an electronic resonance, localized
at the adatom site, can develop below the bottom of the surface state band for
both spin channels. In the case of adatoms, these states have been found very
recently in scanning tunneling spectroscopy experiments\cite{limot,olsson} for
the Cu(111) and Ag(111) surfaces. Motivated by these experiments, we carried
out a systematic theoretical investigation of the electronic structure of these
surface states in the presence of magnetic and non-magnetic atoms on Cu(111).
We found that Ca and all 3 adatoms lead to a split-off state at the bottom
of the surface band which is, however, not seen for the elements Ga and
Ge. The situation is completely reversed if the impurities are embedded in the
surface: Ga and Ge are able to produce a split-off state whereas the 3
impurities do not. The resonance arises from the s-state of the impurities and
is explained in terms of strength and interaction nature (attraction or
repulsion) of the perturbing potential.Comment: 6 pages, 5 figure
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