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Effects of Electron Correlation inside Disordered Crystals

  • Sergei P. Kruchinin
  • , Roberts I. Eglitis*
  • , Vitaliy P. Babak
  • , Iryna G. Vyshyvana
  • , Stanislav P. Repetsky
  • *Šī darba korespondējošais autors
  • NASU - Bogolyubov Institute for Theoretical Physics
  • Institute of Engineering Thermophysics of NAS of Ukraine
  • Kyiv National Taras Shevchenko University
  • National University of Kyiv Mohyla-Academy
  • NASU - Kurdyumov Institute for Metal Physics

Zinātniskās darbības rezultāts: Devums žurnālamZinātniskais raksts (žurnālā)koleģiāli recenzēts

4 Atsauces (Scopus)

Kopsavilkums

We propose a novel approach for characterising the electron spectrum of disordered crystals constructed from a Hamiltonian of electrons as well as phonons and a diagram approach for Green’s function. The system’s electronic states were modelled by means of the multi‐band, tight-binding approach. The system’s Hamiltonian is described based on the electron wave functions at the field of the atom nucleus. Our novel approach incorporates the long‐range Coulomb interplay of electrons located in different lattice positions. Explicit interpretations of Green’s functions are derived using a diagram method.Equations are obtained for the vertex components for the mass operators of the electron–electron as well aselectron–phonon interplays. A system of equations for the spectrum of elementary excitations in the crystal is obtained, in which the vertex components for the mass operators of electron–electron as well as electron–phonon interplays are renormalised. Thismakes it possible to perform numerical computationsfor the system’s energy spectrum with a predetermined accuracy. In contrast to other approaches in which electron correlations are only taken into account in the limiting cases of an infinitely large and infinitesimal electron density, in this method, electron correlations are described in the general case of an arbitrary density. We obtained the cluster expansion of the density of states (DOS) of the disordered systems. We demon-strate that the addition of the electron‐scattering mechanismsto the clusters is decreasing. This hap-pens due to a growing number of positions in the cluster, which hang ontothe small parameter. The computing exactness is fixed by a small parameter for cluster expansion of Green’s functions of electrons as well as phonons.

OriģinālvalodaAngļu
Raksta numurs237
Lapas (no-līdz)1-17
ŽurnālsCrystals
Sējums12
Izdevuma numurs2
DOIs
Publikācijas statussPublicēts - febr. 2022

OECD Zinātnes nozare

  • 1.3 Fizika un astronomija

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