Paramagnetic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Ni</mml:mi><mml:mi mathvariant="normal">Cu</mml:mi></mml:math>Alloys: Electronic Density of States in the Coherent-Potential Approximation

Kirkpatrick, Scott; Velický, B.; Ehrenreich, H.

doi:10.1103/physrevb.1.3250

Cited by 238 publications

(64 citation statements)

References 22 publications

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“…44 A very important difference between binary-alloy disorder and disorder types with continuous probability distributions is that in the former case in a non-interacting system and in arbitrary lattices the Bloch band is split if ∆ > W 0 . 39,45,46 In this limit two alloy subbands are formed and the system is a band insulator if ν = 2x or ν = 2, where ν is number of fermions per site, or a metal otherwise. In the presence of interaction a Mott insulator at fractional particle filling ν = x or ν = 1 + x is allowed.…”

Section: Anderson-hubbard Model With Binary-alloy Disordermentioning

confidence: 99%

Mott-Hubbard and Anderson metal-insulator transitions in correlated lattice fermions with binary disorder

2010

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Strongly correlated fermions in a crystal or in an optical lattice in the presence of binary alloy disorder are investigated. We employ the statistical dynamical mean-field theory, which incorporates both, fluctuations due to disorder and local correlations due to interaction, to solve the AndersonHubbard model. Localization due to disorder is studied by means of the probability distribution function of the local density of states. We obtain a complete paramagnetic ground state phase diagram consisting of disordered correlated metal, Anderson-Mott insulator, and band insulator.

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Section: Anderson-hubbard Model With Binary-alloy Disordermentioning

confidence: 99%

Mott-Hubbard and Anderson metal-insulator transitions in correlated lattice fermions with binary disorder

2010

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“…On the other hand, we adopted a diagonal approximation 40,41 to the coherent Green function at the r.h.s. of Eq.…”

Section: Numerical Results Of Excitation Spectramentioning

confidence: 99%

Dynamical coherent-potential approximation approach to excitation spectra in3dtransition metals

2010

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First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied to the investigations of a systematic change of excitation spectra in 3d transition metals from Sc to Cu at finite temperatures. It is shown that the dynamical effects damp main peaks in the densities of states (DOS) obtained by the local density approximation to the density functional theory, reduce the band broadening due to thermal spin fluctuations, create the Mott-Hubbard type bands in the case of fcc Mn and fcc Fe, and create a small hump corresponding to the '6 eV' satellite in the case of Co, Ni, and Cu. Calculated DOS explain the X-ray photoelectron spectroscopy data as well as the bremsstrahlung isochromat spectroscopy data. Moreover, it is found that screening effects on the exchange energy parameters are significant for understanding the spectra in magnetic transition metals.

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“…From the localization theorem (the HadamardGerschgorin theorem in matrix algebra) it is known that if the Hamiltonian H H is bounded the single-particle spectrum will open a gap for sufficiently large ∆ (7) max(|t|, U ) [5][6][7]. Hence at ∆ = ∆ c the density of states (DOS) splits into a lower and an upper alloy subbands with centers of mass at the ionic energies A and B , respectively.…”

Section: Alloy-band Splitting In the Hubbard Modelmentioning

confidence: 99%

Ferromagnetism and Metal-Insulator Transitions in Correlated Electron Systems with Alloy Disorder

Byczuk

Hofstetter

et al. 2009

Acta Phys. Pol. A

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Alloy disorder can affect ferromagnetism and metal-insulator transitions of correlated lattice fermion systems in subtle and often unexpected ways. Solving the Hubbard model and the periodic Anderson model within dynamical mean-field theory we show that alloy disorder can increase the Curie temperature of a non-disordered system, and also yields novel Mott or Kondo insulators at fractional electronic densities.

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ParamagneticNiCuAlloys: Electronic Density of States in the Coherent-Potential Approximation

Cited by 238 publications

References 22 publications

Mott-Hubbard and Anderson metal-insulator transitions in correlated lattice fermions with binary disorder

Mott-Hubbard and Anderson metal-insulator transitions in correlated lattice fermions with binary disorder

Dynamical coherent-potential approximation approach to excitation spectra in3dtransition metals

Ferromagnetism and Metal-Insulator Transitions in Correlated Electron Systems with Alloy Disorder

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