557 research outputs found
Non-Newtonian Mechanics
The classical motion of spinning particles can be described without employing
Grassmann variables or Clifford algebras, but simply by generalizing the usual
spinless theory. We only assume the invariance with respect to the Poincare'
group; and only requiring the conservation of the linear and angular momenta we
derive the zitterbewegung: namely the decomposition of the 4-velocity in the
newtonian constant term p/m and in a non-newtonian time-oscillating spacelike
term. Consequently, free classical particles do not obey, in general, the
Principle of Inertia. Superluminal motions are also allowed, without violating
Special Relativity, provided that the energy-momentum moves along the worldline
of the center-of-mass. Moreover, a non-linear, non-constant relation holds
between the time durations measured in different reference frames. Newtonian
Mechanics is re-obtained as a particular case of the present theory: namely for
spinless systems with no zitterbewegung. Introducing a Lagrangian containing
also derivatives of the 4-velocity we get a new equation of the motion,
actually a generalization of the Newton Law a=F/m. Requiring the rotational
symmetry and the reparametrization invariance we derive the classical spin
vector and the conserved scalar Hamiltonian, respectively. We derive also the
classical Dirac spin and analyze the general solution of the Eulero-Lagrange
equation for Dirac particles. The interesting case of spinning systems with
zero intrinsic angular momentum is also studied.Comment: LaTeX; 27 page
The onset of magnetic order in fcc-Fe films on Cu(100)
On the basis of a first-principles electronic structure theory of finite
temperature metallic magnetism in layered materials, we investigate the onset
of magnetic order in thin (2-8 layers) fcc-Fe films on Cu(100) substrates. The
nature of this ordering is altered when the systems are capped with copper.
Indeed we find an oscillatory dependence of the Curie temperatures as a
function of Cu-cap thickness, in excellent agreement with experimental data.
The thermally induced spin-fluctuations are treated within a mean-field
disordered local moment (DLM) picture and give rise to layer-dependent `local
exchange splittings' in the electronic structure even in the paramagnetic
phase. These features determine the magnetic intra- and interlayer interactions
which are strongly influenced by the presence and extent of the Cu cap.Comment: 13 pages, 3 figure
Revisiting N\'eel 60 years on: the magnetic anisotropy of FeNi (tetrataenite)
The magnetocrystalline anisotropy energy of atomically ordered
FeNi (the meteoritic mineral tetrataenite) is studied within a
first-principles electronic structure framework. Two compositions are examined:
equiatomic FeNi and an Fe-rich composition,
FeNi. It is confirmed that, for the single crystals modelled
in this work, the leading-order anisotropy coefficient dominates the
higher-order coefficients and . To enable comparison with
experiment, the effects of both imperfect atomic long-range order and finite
temperature are included. While our computational results initially appear to
undershoot the measured experimental values for this system, careful scrutiny
of the original analysis due to N\'{e}el et al. [J. Appl. Phys. 35, 873 (1964)]
suggests that our computed value of is, in fact, consistent with
experimental values, and that the noted discrepancy has its origins in the
nanoscale polycrystalline, multivariant nature of experimental samples, that
yields much larger values of and than expected a priori. These
results provide fresh insight into the existing discrepancies in the literature
regarding the value of tetrataenite's uniaxial magnetocrystalline anisotropy in
both natural and synthetic samples.Comment: 9 pages, 3 figures, 2 table
Lysis of Chinese hamster embryo fibroblast mutants by human natural cytotoxic (NK) cells.
Local Charge Excesses in Metallic Alloys: a Local Field Coherent Potential Approximation Theory
Electronic structure calculations performed on very large supercells have
shown that the local charge excesses in metallic alloys are related through
simple linear relations to the local electrostatic field resulting from
distribution of charges in the whole crystal.
By including local external fields in the single site Coherent Potential
Approximation theory, we develop a novel theoretical scheme in which the local
charge excesses for random alloys can be obtained as the responses to local
external fields. Our model maintains all the computational advantages of a
single site theory but allows for full charge relaxation at the impurity sites.
Through applications to CuPd and CuZn alloys, we find that, as a general rule,
non linear charge rearrangements occur at the impurity site as a consequence of
the complex phenomena related with the electronic screening of the external
potential. This nothwithstanding, we observe that linear relations hold between
charge excesses and external potentials, in quantitative agreement with the
mentioned supercell calculations, and well beyond the limits of linearity for
any other site property.Comment: 11 pages, 1 table, 7 figure
Electronic structure and x-ray magnetic dichroism in random substitutional alloys of f-electron elements
The Koringa-Kohn-Rostoker âcoherent-potential-approximation method combines multiple-scattering theory and the coherent-potential approximation to calculate the electronic structure of random substitutional alloys of transition metals. In this paper we describe the generalization of this theory to describe f-electron alloys. The theory is illustrated with a calculation of the electronic structure and magnetic dichroism curves for a random substitutional alloy containing rare-earth or actinide elements from first principles
Spin fluctuations in nearly magnetic metals from ab-initio dynamical spin susceptibility calculations:application to Pd and Cr95V5
We describe our theoretical formalism and computational scheme for making
ab-initio calculations of the dynamic paramagnetic spin susceptibilities of
metals and alloys at finite temperatures. Its basis is Time-Dependent Density
Functional Theory within an electronic multiple scattering, imaginary time
Green function formalism. Results receive a natural interpretation in terms of
overdamped oscillator systems making them suitable for incorporation into spin
fluctuation theories. For illustration we apply our method to the nearly
ferromagnetic metal Pd and the nearly antiferromagnetic chromium alloy Cr95V5.
We compare and contrast the spin dynamics of these two metals and in each case
identify those fluctuations with relaxation times much longer than typical
electronic `hopping times'Comment: 21 pages, 9 figures. To appear in Physical Review B (July 2000
Revisiting NĂ©el 60 years on : the magnetic anisotropy of L10 FeNi (tetrataenite)
The magnetocrystalline anisotropy energy of atomically ordered L10 FeNi (the meteoritic mineral tetrataenite) is studied within a first-principles electronic structure framework. Two compositions are examined: equiatomic Fe 0.5Ni 0.5 and an Fe-rich composition, Fe 0.56Ni 0.44â . It is confirmed that, for the single crystals modeled in this work, the leading-order anisotropy coefficient K1 dominates the higher-order coefficients K2 and K3â . To enable comparison with experiment, the effects of both imperfect atomic long-range order and finite temperature are included. While our computational results initially appear to undershoot the measured experimental values for this system, careful scrutiny of the original analysis due to NĂ©el et al. [J. Appl. Phys. 35, 873 (1964)] suggests that our computed value of K1 is, in fact, consistent with experimental values, and that the noted discrepancy has its origins in the nanoscale polycrystalline, multivariant nature of experimental samples, that yields much larger values of K2 and K3 than expected a priori. These results provide fresh insight into the existing discrepancies in the literature regarding the value of tetrataeniteâs uniaxial magnetocrystalline anisotropy in both natural and synthetic samples
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