26 research outputs found
Electronic Structure of a Chain-like Compound: TlSe
An ab-initio pseudopotential calculation using density functional theory
within the local density approximation has been performed to investigate the
electronic properties of TlSe which is of chain-like crystal geometry. The
energy bands and effective masses along high symmetry directions, the density
of states and valence charge density distributions cut through various planes
are presented. The results have been discussed in terms of previously existing
experimental and theoretical data, and comparisons with similar compounds have
been made.Comment: 7 page
Electron and hole states in quantum-dot quantum wells within a spherical 8-band model
In order to study heterostructures composed both of materials with strongly
different parameters and of materials with narrow band gaps, we have developed
an approach, which combines the spherical 8-band effective-mass Hamiltonian and
the Burt's envelope function representation. Using this method, electron and
hole states are calculated in CdS/HgS/CdS/H_2O and CdTe/HgTe/CdTe/H_2O
quantum-dot quantum-well heterostructures. Radial components of the wave
functions of the lowest S and P electron and hole states in typical quantum-dot
quantum wells (QDQWs) are presented as a function of radius. The 6-band-hole
components of the radial wave functions of an electron in the 8-band model have
amplitudes comparable with the amplitude of the corresponding 2-band-electron
component. This is a consequence of the coupling between the conduction and
valence bands, which gives a strong nonparabolicity of the conduction band. At
the same time, the 2-band-electron component of the radial wave functions of a
hole in the 8-band model is small compared with the amplitudes of the
corresponding 6-band-hole components. It is shown that in the CdS/HgS/CdS/H_2O
QDQW holes in the lowest states are strongly localized in the well region
(HgS). On the contrary, electrons in this QDQW and both electron and holes in
the CdTe/HgTe/CdTe/H_2O QDQW are distributed through the entire dot. The
importance of the developed theory for QDQWs is proven by the fact that in
contrast to our rigorous 8-band model, there appear spurious states within the
commonly used symmetrized 8-band model.Comment: 15 pages, 5 figures, E-mail addresses: [email protected],
[email protected]
Development of an eight-band theory for quantum-dot heterostructures
We derive a nonsymmetrized 8-band effective-mass Hamiltonian for quantum-dot
heterostructures (QDHs) in Burt's envelope-function representation. The 8x8
radial Hamiltonian and the boundary conditions for the Schroedinger equation
are obtained for spherical QDHs. Boundary conditions for symmetrized and
nonsymmetrized radial Hamiltonians are compared with each other and with
connection rules that are commonly used to match the wave functions found from
the bulk kp Hamiltonians of two adjacent materials. Electron and hole energy
spectra in three spherical QDHs: HgS/CdS, InAs/GaAs, and GaAs/AlAs are
calculated as a function of the quantum dot radius within the approximate
symmetrized and exact nonsymmetrized 8x8 models. The parameters of dissymmetry
are shown to influence the energy levels and the wave functions of an electron
and a hole and, consequently, the energies of both intraband and interband
transitions.Comment: 36 pages, 10 figures, E-mail addresses: [email protected],
[email protected]
Electronic properties and phase transitions in low-dimensional semiconductors
We present the first review of the current state of the literature on
electronic properties and phase transitions in TlX and TlMX2 (M = Ga, In; X =
Se, S, Te) compounds. These chalcogenides belong to a family of the
low-dimensional semiconductors possessing chain or layered structure. They are
of significant interest because of their highly anisotropic properties, semi-
and photoconductivity, non-linear effects in their I-V characteristics
(including a region of negative differential resistance), switching and memory
effects, second harmonic optical generation, relaxor behavior and potential
applications for optoelectronic devices. We review the crystal structure of TlX
and TlMX2 compounds, their transport properties under ambient conditions,
experimental and theoretical studies of the electronic structure, transport
properties and semiconductor-metal phase transitions under high pressure, and
sequences of temperature-induced structural phase transitions with intermediate
incommensurate states. Electronic nature of the ferroelectric phase transitions
in the above-mentioned compounds, as well as relaxor behavior, nanodomains and
possible occurrence of quantum dots in doped and irradiated crystals is
discussed.Comment: 70 pages, 38 figure