ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 6420-6422 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: There is a great change in the nature of the magnetic ordering on going from CeIn3, a local moment antiferromagnetic system, to CePb3, a heavy fermion itinerant antiferromagnetic system, both of which have Cu3Au crystal structure. We have applied ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, and a phenomenological theory of orbitally driven magnetic ordering, to study the effects of the band-f hybridization-induced interactions and the band-f exchange-induced interactions, pertinent to the magnetic behavior of these systems. The position of the Ce 4f energy level relative to the Fermi energy and the intra-atomic Coulomb interaction are obtained from a sequence of three total-energy supercell calculations with two, one and zero f electrons in the Ce 4f core. The calculations elucidate the origins in the electronic structure of the variation of the f-state resonance width characterizing the strength of the hybridization and the density of states at the Fermi energy characterizing the number and character of band states available for hybridization. We present results for the hybridization potential and the hybridization-induced exchange interactions on going from CeIn3 to CePb3, where the only obvious change is the addition of an anion p electron. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 2
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A method is presented for calculating the f-f ion interaction in systems where a d-electron species also hybridizes with the same Fermi sea. For the physical systems of interest, typically the f species is a light rare earth (e.g., Ce or Pr) or a light actinide (U) involving a partially filled f shell and the d species is a transition-metal ion; and there may be experimental evidence of competition between magnetic ordering of the f and d electron systems (e.g., when f is U and d is Mn). The method treats first the strong hybridization between the d and the conduction electrons to obtain a new ground state with delocalized d electrons. Then it calculates the f-f ion interaction by perturbation theory. The mechanisms by which the d electrons modify the f-f ion interaction are identified.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 63 (1988), S. 3826-3828 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: There has been much interest in the magnetic excitation behavior of cerium and light actinide systems with partially delocalized f electrons. Both the dispersion and the damping show unusual characteristics. Previously we have had considerable success in dealing with the dispersion, and have now developed a theory of the dynamic susceptibility and damping rate of excitations in magnetically ordered cerium systems where the damping is due to the hybridization between the f electrons and the non-f-band electrons. We include in our calculations both the two-ion interaction, which causes anisotropic magnetic ordering, and the hybridization-dressed crystal-field effects. We have applied the theory to CeSb and CeBi and obtained very large renormalization of the single-ion spectrum. The temperature dependence of location and broadening of energy transfer peaks are in excellent agreement with experiment.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 85 (1999), S. 5338-5340 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Magnetic ordering involves the electronic behavior globally; and for uranium-based systems, the hybridization-induced effects dominate over the Coulomb exchange effects in determining the magnetic ordering. Therefore, as long as the hybridization is treated as acting between properly exchange-symmetrized two-electron wave functions, the effects of exchange can be incorporated in the one-electron exchange-correlation potential. As a consequence of the necessary exchange symmetrization, there are essentially two kinds of f electrons, localized magnetic and itinerant nonmagnetic. This has enabled us to make absolute material-specific predictions of alloying or high-pressure effects on magnetic ordering in uranium strongly correlated-electron (SCE) systems using local-density approximation input into many-electron dynamics. Experimentally, the alloying effects can be dramatic, e.g., in UxLa1−xS the magnetic ordering abruptly disappears at about 55% uranium. The theory is quite successful in its detailed absolute predictions, and this has important implications for the overall understanding of electronic behavior in SCE systems including heavy fermion systems. The key conclusion is that strengthening the hybridization, as kinematically restricted by exchange symmetry, leads to a chemical-environment-dependent sharp phase transition in SCE systems with dramatic observable consequences. This phase transition is associated with the elimination of the localized-magnetic transition-shell electrons (f electrons for light actinide and cerium-based SCE materials, d electrons for transition-metal–oxide-based SCE materials). © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 64 (1988), S. 5592-5594 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Commonly, for metallic uranium systems, sharp magnetic excitations are not observed in neutron inelastic scattering experiments, but rather there is a continuous spectrum of magnetic response. By extending our earlier theory for partially delocalized cerium systems, we can understand this behavior. The band-f hybridization is transformed to resonant scattering in our theory, where the exchange part of the scattering gives both a two-ion interaction (physically corresponding to cooperative hybridization, giving anisotropic magnetic ordering with unusual excitation dispersion for cerium systems) and a hybridization coupling of each ion to the band sea (giving relaxation and strong energy renormalization of the excitations for cerium systems). For uranium the f delocalization (and hence the hybridization) is much stronger than for cerium. The two-ion interaction (giving quasi-ionic energy level splitting) grows by an order of magnitude or more, as evidenced by greatly increased magnetic ordering temperatures. On the other hand, the single-site hybridization strength parameter J characterizing the f-to-band-bath coupling grows more moderately as the f levels move toward the Fermi energy, because of the renormalizing effect of the direct scattering which broadens the f levels. The increased energy scale of the quasi-ionic level splitting for uranium as compared to cerium or plutonium is the major contributor to the greatly increased width of magnetic scattering distributions, while the moderate increase in coupling of each uranium quasi-ion to the band sea gives a lesser contribution. We apply this theory to UP and UAs and compare our results with experiment.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 70 (1991), S. 5809-5811 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: CeSb and CeTe show giant magneto-optic Kerr rotations and also have extremely unusual magnetic ordering properties. CeSb shows peculiar and extraordinarily anisotropic antiferromagnetic behavior; while CeTe shows an ordered moment and TN only 15% that of CeSb, indicative of incipient heavy-fermion behavior. This has been understood in an absolute theory of orbitally driven correlated f-electron magnetism. We seek to understand the giant magneto-optic properties including the role, if any, of explicit correlation effects not captured by an exchange-correlation potential. To this end we have performed full potential linearized muffin-tin orbital polarized band calculations for the optical conductivity tensor, first only spin polarized (orbital polarization only via spin-orbit coupling) and second with explicit orbital polarization. As expected, for CeSb and CeTe the spin-polarized calculation gave the diagonal, ordinary optical, conductivity in good agreement with experiment; but the off-diagonal, magneto-optic, behavior was in poor agreement; and the ordered moment was much different from experiment. For the spin-and-orbitally polarized calculation, the ordered moment agreed reasonably well with experiment for CeSb but very poorly for CeTe. However, the magneto-optic behavior remained distinctly different from experiment for both materials. Thus as anticipated, explicit correlation effects associated with differing discrete f-configuration energies appear to be a central aspect of giant magneto-optic behavior.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 7
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Cerium and light actinide materials have unusual properties, including suppressed crystal-field splitting and highly anisotropic ordered magnetism, that can be understood on the basis of the Coulomb interaction between partially delocalized f electrons and the non-f-band electrons. In setting the absolute scale of interaction energy for materially predictive theory, it is crucial to take account of all consequences of the Coulomb interaction which contribute to the two-ion interaction. These include both the hybridization-induced effect (i.e., band-f mixing effects treated by a one-electron potential) and the RKKY-type effect (arising from the band-f exchange interaction) and the cross effect. The RKKY interaction, when treated fully, provides both isotropic and anisotropic contributions to the two-ion interaction. We found the anisotropic part is similar in its angular dependence and range dependence to the hybridization-induced effects. Therefore, the qualitative anisotropic nature of observable magnetic effects is quite similar to that caused by hybridization-induced effects by themselves, but the scale of energy is changed. Our results for CeBi and CeSb are in agreement with both the qualitative nature of the magnetic ordering and crystal-field dressing and with the absolute scale of energy as shown by the Néel temperature.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 73 (1993), S. 5409-5411 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: An important characteristic of correlated f-electron systems is their dual nature of having both degrees of localization and itinerancy. Their magnetic behavior evolves with the amount of delocalization they have. Rare-earth monopnictides are on the localized side, with weak delocalization related to hybridization. Uranium monopnictides are on the itinerant side, but localization cannot be fully neglected. To explore the problem from both the localized and the itinerant sides, we have been developing techniques to calculate the evolving properties of f-electron systems on a first principle ab initio basis. This involves: electronic structure calculations; calculating band-f hybridization; calculating Coulomb exchange interaction; and calculating magnetic ordering. In this work, we applied these techniques to evaluate the evolution of f-electron behavior from heavy rare earths to light rare earths to actinides. We will discuss how the degree of localization of the f electrons affects their hybridization and Coulomb exchange interaction with non-f band electrons, and how this influences the two-ion exchange interaction and magnetic ordering. Our calculation is for XSb where X=Ce, Nd, Tb, Er, Yb, U and for CeTe and UTe.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 81 (1997), S. 3856-3858 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We discuss (1) the effects to be expected by the introduction into the electronic structure of locally-based two-electron correlations between the f electrons and bonding electrons of p and d atomic origin centered off-site as well as f-f correlations, (2) the expected observable consequences of these two-electron correlations, and (3) how to perform electronic structure calculations including the two-electron correlations. We first review certain general features of the physics associated with capturing the dual energetically localized-delocalized nature of the f electron spectral density; and review model calculations involving a single on-site f electron and a single ligand p/d electron of off-site parentage which lead to the possibility of a narrow singlet and triplet (magnetic) band picture explaining heavy fermion phenomenology. We then show that the same singlet/magnetic state picture arises when we include two-electron f-l and f-f correlations for actinides, which have atomic fn configurations with n〉1; and we describe a practical electronic structure scheme for real materials based on a sequence in which a conventional one-electron linearized combination of muffin-tin orbitals (LMTO) LDA+U calculation is followed by a calculation for the lattice with a helium like two-electron Hamiltonian at the f atom sites, i.e., two-electron atoms where initially for the core two electrons worth of charge are removed from the LMTO f-site atom. This procedure will reconstruct the LMTO bands to include two-electron texturing. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 10
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 75 (1994), S. 7035-7040 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Experimentally, hydrostatic pressure experiments provide a very sensitive way to probe the development of magnetic ordering in correlated-electron systems. We have now developed and applied theory allowing us to understand and quantitatively predict the variation of ordering temperature with pressure in uranium-based correlated-electron materials on a wholly predictive calculated basis, i.e., without using any experimental data as input in the calculation. The theory physically captures the changes in the f spectral density distribution in space and time that are driven by pressure-induced increased band-f hybridization. As a test case, we have predicted behavior in good agreement with experiment for UTe where experimentally (Link et al.) Tc increases from 104 K to a maximum of 181 K at 7.5 GPa and then decreases to 156 K at 17.5 GPa. Our calculations: (1) using full-potential total-energy calculations match the experimental lattice parameter change with pressure within 2% and provide the decrease in average 5f-electron number; (2) extract information from the electronic structure calculation on the hybridization-induced changes and insert this into many-body theory to calculate the increase in two-ion coupling with pressure (from increased f spectral admixture into the bands) giving the initial increase in Tc; (3) calculate the decrease in ordering temperature (in terms of coupling) with decreased 5f number (localized spectral density) which gives the ultimate decrease in Tc.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...