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Density of states and frustration in the quantum percolation problem Gerardo G. Naumis* Rafael A. Barrio* Chumin Wang** *Instituto de Física, UNAM, México.

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Presentation on theme: "Density of states and frustration in the quantum percolation problem Gerardo G. Naumis* Rafael A. Barrio* Chumin Wang** *Instituto de Física, UNAM, México."— Presentation transcript:

1 Density of states and frustration in the quantum percolation problem Gerardo G. Naumis* Rafael A. Barrio* Chumin Wang** *Instituto de Física, UNAM, México **Instituto de Materiales, UNAM, México

2 Density of states (DOS) of a Penrose tiling Penrose tiling: example of a quasiperiodic potential (LRO without periodicity; it is neither periodic, nor disordered). Model:atoms at the vertex of the tiling, using an s-band tight-binding Hamiltonian: Model: atoms at the vertex of the tiling, using an s-band tight-binding Hamiltonian: The DOS is symmetric around E=0.The DOS is symmetric around E=0. There are “confined states” at E=0 (10%). The nodal lines have a fractal structure.There are “confined states” at E=0 (10%). The nodal lines have a fractal structure. A gap is formed around E=0. A gap is formed around E=0. States tend to be more localized around E=0.States tend to be more localized around E=0. The bandwidth is bigger than2, where =4, as in a square lattice.The bandwidth is bigger than 2, where =4, as in a square lattice. From computer simulations, it is belived that there are critical, extended and localized statesFrom computer simulations, it is belived that there are critical, extended and localized states

3 DOS of random binary alloy in the split-band limit (akin to the quantum percolation problem) Model of a random binary alloy in a square lattice (quoted in Ziman’s book “Models of disorder”), studied by S. Kirkpatrick and P. Eggarter, Phys. Rev. B6, 3598, 1972. The model is defined in a square lattice, where two kinds of atoms, A and B, have concentrations x and 1-x respectively. The corresponding self energies are,    and  B =  where  tends to infinity.

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5 The DOS is symmetric around E=0.The DOS is symmetric around E=0. There are “confined states” at E=0. The fraction depends on x, and was calculated by Kirkpatrick et. al.There are “confined states” at E=0. The fraction depends on x, and was calculated by Kirkpatrick et. al. A gap is formed around E=0, EVEN WHEN A-ATOMS PERCOLATE.A gap is formed around E=0, EVEN WHEN A-ATOMS PERCOLATE. States tend to be more localized around E=0.States tend to be more localized around E=0. The bandwidth is bigger than2.The bandwidth is bigger than 2. In 2D, all states are localized (scaling theory of Abrahams), although power-law decaying states can change the picture.In 2D, all states are localized (scaling theory of Abrahams), although power-law decaying states can change the picture. Two bands are formed. For the A band, the B atoms can be removed. We get a quantum percolation problem,

6 S parameter= tendency for a gap opening at the middle of the spectrum Where the moments are defined as, S>1, the DOS is UNIMODAL, S<1 BIMODAL (SQL S=1.25, Honeycomb=0.67) We calculate the moments via de Cyrot-Lackmann theorem, which states that the n-th moment is given by the number of paths with n-hops that start and end in a given site. With disorder, certain paths are block by B atoms, and,

7 P(Z) is a BINOMIAL distribution. Symmetric DOS, BIPARTITE LATTICE

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9 Frustration in a renormalized Hamiltonian RENORMALIZATION Since H produces a hop between sublattices:

10 FRUSTRATION + + + Bonding + - + - + - + - + Anti- Bonding + 0 - 0 + 0 - 0 + E2E2 + + + Bonding state Lifshitz tail Degenerate states Compression of the band + - + - + - + - + Anti- Bonding + + Frustrated bond Rises the energy +1 - E=-1-1+1

11 If c i (E) is the amplitude at site i for an energy E, from the equation of motion: sum of all negative bonds sum of all positive bonds Statistical Bounds

12 The correlation amplitude-local coordination is estimated using the standard desviation of the binomial distribution, the normalization condition and two extreme cases: Example, for x=0.65 the maximum value is 3.56; in the simulations was 3.58.

13 Where f 0 (x) is the number of confined states for a given x. (for x=0.65, the calculated bandwidth is W=6.60, while in the simulations was 6.65)


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