Band Structure and Condenson States in In4Se3 Crystals

Bercha, D. M.; Kharkhalis, L. Yu.; Bercha, Artem; Sznajder, M.

doi:10.1002/1521-3951(199710)203:2<427::aid-pssb427>3.0.co;2-s

Cited by 19 publications

(29 citation statements)

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“…As it is known [7,8], a functional of the total energy of a system can be determined in the framework of the continuum and the deformational potential approaches by the following expression:…”

Section: Investigations On the Self-consistent Localized Electron Stasupporting

confidence: 64%

“…The present report is devoted to the investigation of the self-consistent localized electron states, which are connected with charge carrier inhomogeneities in the TlGaSe 2 crystal. For this purpose, we use the developed deformational theory of phase transitions [7,8], in which the interaction between electrons and phonons is taken into account within the deformational potential. A nonstandard dispersion law for charge carriers which follows from the ab initio band structure calculation of the TlGaSe 2 crystal is a decisive factor for the localization phenomenon of the electron states.…”

Section: Introductionmentioning

confidence: 96%

“…According to a theory, the electron phase transition takes the place in the multi-valley semiconductors [7], or in the initially inhomogeneous single-valley ones with the fluctuating concentrations of charge carriers [8], as a consequence of the collective interactions. In our opinion, the observed nonlinear effects in the TlGaSe 2 monoclinic crystal, similar to those in the In 4 Se 3 one [8,9], can be caused by the instability of the electron subsystem due * corresponding author; e-mail: sznajder@ur.edu.pl to the electron-phonon interaction.…”

Section: Introductionmentioning

confidence: 99%

“…In our opinion, the observed nonlinear effects in the TlGaSe 2 monoclinic crystal, similar to those in the In 4 Se 3 one [8,9], can be caused by the instability of the electron subsystem due * corresponding author; e-mail: sznajder@ur.edu.pl to the electron-phonon interaction. The present report is devoted to the investigation of the self-consistent localized electron states, which are connected with charge carrier inhomogeneities in the TlGaSe 2 crystal.…”

Section: Introductionmentioning

confidence: 99%

“…The obtained results indicate an abnormal dispersion of the lowest conduction band in the direction F 1 -Γ -Q 1 which, in our opinion, can be caused by a lowenergy non-parabolicity of the dispersion relation E(k) of this band. A similar situation is observed in the case of several indium selenides [8,15]. Now we estimate a curvature of this dispersion relation near Γ point in the direction Γ -F 1 within the quadratic approximation, by restricting ourselves to a small distance in the k-space.…”

Section: Introductionmentioning

confidence: 99%

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Electron-Deformational Phase Transitions in a TlGaSe₂Layered Crystal

2016

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We investigate the self-consistent localized electron states which are related to charge carrier inhomogeneities in a TlGaSe2 crystal, in the framework of the continuum and the deformational potential approaches. For this purpose a nonstandard dispersion law for charge carriers following from the ab initio band structure calculation of the considered crystal is utilized. It is shown that a formation of stable localized electron states with different bond energy, which are separated by the potential barrier, takes place. These states can be responsible for the occurrence of the deformational phase transition in the presence of the non-equilibrium charge carriers in TlGaSe2.

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Section: Investigations On the Self-consistent Localized Electron Stasupporting

confidence: 64%

Section: Introductionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Electron-Deformational Phase Transitions in a TlGaSe₂Layered Crystal

2016

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Similarities of the band structure of In₄Se₃ and InSe under pressure and peculiarities of the creation of the band gap

Sznajder

Rushchanskii

Kharkhalis

et al. 2006

Physica Status Solidi (b)

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The existence of the physical elementary energy bands describing the Davydov splitting was demonstrated in the energy spectra of the layered orthorhombic 4 3In Se crystal. It was confirmed that the physical elementary energy bands are related to the exactly determined Wyckoff position in the unit cell, where the maximum of the valence electron density is localized. By means of ab initio calculations, the dispersion laws with the low-energy non-parabolicity were obtained for electrons and holes of the 4 3In Se crystal. The reasons for such a dispersion law to occur in 4 3In Se are discussed as well as its similarity to the dispersion law for holes in the β-InSe crystal under pressure.

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Elementary energy bands in isovalent IV–VI orthorhombic and cubic crystals and their solid solutions

Slipukhina

Bercha

2007

Physica Status Solidi (b)

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It is shown that elementary energy bands concept can be applied to complex systems like solid solutions. As in the case of single crystals, the symmetry of elementary energy bands in the valence band of such systems is related to the actual Wyckoff positions in their unit cells, where accumulation of valence electrons is observed. These results are predicted in the empty-lattice approximation and confirmed by ab initio calculations of electronic properties of SnS, PbS and Pb 0.5 Sn 0.5 S systems. It is suggested that the presented application of the elementary energy bands concept together with the empty-lattice approximation can be used as a simple method for obtaining charge localization centers in the crystalline lattice and thus for the construction of the well-localized Wannier functions.

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Band Structure and Condenson States in In4Se3 Crystals

Cited by 19 publications

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Electron-Deformational Phase Transitions in a TlGaSe₂Layered Crystal

Electron-Deformational Phase Transitions in a TlGaSe₂Layered Crystal

Similarities of the band structure of In₄Se₃ and InSe under pressure and peculiarities of the creation of the band gap

Elementary energy bands in isovalent IV–VI orthorhombic and cubic crystals and their solid solutions

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Band Structure and Condenson States in In4Se3 Crystals

Cited by 19 publications

References 0 publications

Electron-Deformational Phase Transitions in a TlGaSe2Layered Crystal

Electron-Deformational Phase Transitions in a TlGaSe2Layered Crystal

Similarities of the band structure of In4Se3 and InSe under pressure and peculiarities of the creation of the band gap

Elementary energy bands in isovalent IV–VI orthorhombic and cubic crystals and their solid solutions

Contact Info

Product

Resources

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Electron-Deformational Phase Transitions in a TlGaSe₂Layered Crystal

Electron-Deformational Phase Transitions in a TlGaSe₂Layered Crystal

Similarities of the band structure of In₄Se₃ and InSe under pressure and peculiarities of the creation of the band gap