Exchange and correlation interactions and band structure of non-close-packed solids

Grushevskaya, G. V.; Komarov, L. I.; Gurskii, L. I.

doi:10.1134/1.1130660

Cited by 7 publications

(12 citation statements)

References 3 publications

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“…Another challenge in graphene physics is the problem of dynamical mass of graphene charge carriers that, for example, an Eliashberg self-consistent technique predicted an excitonic pairing in a graphene-like system with a number of physical flavors N = 2 originating from a dynamic screening at low energy E in K [23]. The ab initio calculations predicted also a gapped band structure of two-dimensional graphite, although for 3D graphite it is known as gapless one [24]. However, in accordance with experimental data [19], although v F is diverged near K, no insulating phases emerge at E as low as 0.1 meV.…”

Section: Introductionmentioning

confidence: 99%

Vortex Dynamics of Charge Carriers in the Quasi-Relativistic Graphene Model: High-Energy k → · p → Approximation

Grushevskaya

Krylov

2020

Symmetry

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Within the earlier developed high-energy-k · p-Hamiltonian approach to describe graphene-like materials, the simulations of non-Abelian Zak phases and band structure of the quasi-relativistic graphene model with a number of flavors N = 3 have been performed in approximations with and without gauge fields (flavors). It has been shown that a Zak-phases set for non-Abelian Majorana-like excitations (modes) in Dirac valleys of the quasi-relativistic graphene model is the cyclic group Z 12 . This group is deformed into Z 8 at sufficiently high momenta due to deconfinement of the modes. Since the deconfinement removes the degeneracy of the eightfolding valleys, Weyl nodes and antinodes emerge. We offer that a Majorana-like mass term of the quasi-relativistic model affects the graphene band structure in the following way. Firstly, the inverse symmetry emerges in the graphene model with Majorana-like mass term, and secondly the mass term shifts the location of Weyl nodes and antinodes into the region of higher energies.

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Section: Introductionmentioning

confidence: 99%

Vortex Dynamics of Charge Carriers in the Quasi-Relativistic Graphene Model: High-Energy k → · p → Approximation

Grushevskaya

Krylov

2020

Symmetry

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“…Therefore, we can use the symmetry of the problem for simulation simplification by choosing e.g., 1 δ and q , as i δ , i q .…”

Section: The Equation Of Motion Of Massless Charged Carriers In Graphenementioning

confidence: 99%

“…The spin nonpolarized ab initio simulations of partial electron densities of two-dimensional graphite have shown that the material is a semiconductor. Interlayer correlations tighten energy gap that results in semi-metal behaviour of threedimensional graphite [1]. The presence of a gap in band spectrum of graphene (at Dirac points , K K′ ) would increase theoretical estimation of its conductivity to 2 πe h that is to value approaching optical (high frequency) conductivity of graphene [1].…”

Section: Introductionmentioning

confidence: 99%

“…The ab initio calculations by muffin-tin orbital method and usage of random phase approximation (RPA) for polarization operator to investigate the balance of exchange and correlation interactions on band structure of loosely-packed crystals have shown that strong exchange leads to appearance of an energy gap in the spectrum [1]. Conversely, strong correlation interaction leads to tightening the gap in the band spectrum.…”

Section: Introductionmentioning

confidence: 99%

“…Interlayer correlations tighten energy gap that results in semi-metal behaviour of threedimensional graphite [1]. The presence of a gap in band spectrum of graphene (at Dirac points , K K′ ) would increase theoretical estimation of its conductivity to 2 πe h that is to value approaching optical (high frequency) conductivity of graphene [1]. But there is a significant discrepancy of theoretical estimates of low-frequency (minimal) conductivity of monolayer graphene [3]- [5] with its experimental value 2 4e h [6]- [12].…”

Section: Introductionmentioning

confidence: 99%

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Quantum Field Theory of Graphene with Dynamical Partial Symmetry Breaking

Grushevskaya¹,

Krylov²

2014

JMP

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The quantum field theory approach has been proposed for the description of graphene electronic properties. It generalizes massless Dirac fermion model and is based on the Dirac-Hartree-Fock self-consistent field approximation and assumption on antiferromagnetic ordering of graphene lattice. The developed approach allows asymmetric charged carriers in single layer graphene with partially degenerated Dirac cones.

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Graphene: Beyond the Massless Dirac’s Fermion Approach

Grushevskaya

Krylov

2014

Nanotechnology in the Security Systems

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Exchange and correlation interactions and band structure of non-close-packed solids

Cited by 7 publications

References 3 publications

Vortex Dynamics of Charge Carriers in the Quasi-Relativistic Graphene Model: High-Energy k → · p → Approximation

Vortex Dynamics of Charge Carriers in the Quasi-Relativistic Graphene Model: High-Energy k → · p → Approximation

Quantum Field Theory of Graphene with Dynamical Partial Symmetry Breaking

Graphene: Beyond the Massless Dirac’s Fermion Approach

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