Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach

Jarrell, Mark; Moreno, Juana; Raja Mondal, Wasim; S. Vidhyadhiraja, N.; Berlijn, Tom

doi:10.1103/PhysRevB.96.014203

Title: Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach

Journal Article · Thu Jul 20 00:00:00 EDT 2017 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.96.014203· OSTI ID:1399529

Jarrell, Mark ^[1]; Moreno, Juana ^[1]; Raja Mondal, Wasim ^[2]; S. Vidhyadhiraja, N. ^[2];

^[3]

Louisiana State Univ., Baton Rouge, LA (United States)
Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore (India)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this article, we employ a Green's function based approach, namely, the dynamical cluster approximation (DCA), to investigate phonons in mass-disordered systems. Detailed benchmarks with previous exact calculations are used to validate the method in a wide parameter space. An extension of the method, namely, the typical medium DCA (TMDCA), is used to study Anderson localization of phonons in three dimensions. We show that, for binary isotopic disorder, lighter impurities induce localized modes beyond the bandwidth of the host system, while heavier impurities lead to a partial localization of the low-frequency acoustic modes. For a uniform (box) distribution of masses, the physical spectrum is shown to develop long tails comprising mostly localized modes. The mobility edge separating extended and localized modes, obtained through the TMDCA, agrees well with results from the transfer matrix method. A reentrance behavior of the mobility edge with increasing disorder is found that is similar to, but somewhat more pronounced than, the behavior in disordered electronic systems. Our work establishes a computational approach, which recovers the thermodynamic limit, is versatile and computationally inexpensive, to investigate lattice vibrations in disordered lattice systems.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1399529

Alternate ID(s):: OSTI ID: 1372131

Journal Information:: Physical Review B, Vol. 96; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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