Akademik Məlumat İdarəetmə Sistemi
physica status solidi (b), vol.119, no.1, pp.41-48, 1983 (Scopus)
A model of the TlGaSe2‐I band structure of the monoclinic modification is proposed. The monoclinic modification of TlGaSe2‐I is considered as a deformed tetragonal one. The band structure of the metastable tetragonal modification of TlGaSe2‐II is calculated by the pseudopotential method. The irreducible representations of the D184h group (TlGaSe2‐II) are expanded in irreducible representations of the C4s group (TlGaSe2‐I). It is found that the top of the valence band is located at the point Y (0,2π/bm, 0) of the TlGaSe2‐I Brillouin zone and is formed from band states N2, N4 of the tetragonal modification. The bottom of the conduction band is located at the point Γ of the TlGaSe4‐I Brillouin zone and is formed from T4 states. An additional extremum of the valence and conduction bands is located at the points Γ(A2) and Y(N6, N8), respectively. An interpretation of the absorption spectra of TlGaSe2‐I near the fundamental edge is proposed. Copyright © 1983 WILEY‐VCH Verlag GmbH & Co. KGaA