Electronic structure calculations of low-dimensional semiconductor structures using B-spline basis functions

Dikmen, B
Tomak, Mehmet
An efficient method for the low-dimensional semiconductor structure is investigated. The method is applied to symmetric double rectangular quantum well as an example. A basis set of Cubic B-Splines is used as localized basis functions. The method compares well with analytical solutions and the finite difference method.


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Malcıoğlu, Osman Barış (World Scientific Pub Co Pte Lt, 2005-05-01)
A set of Benzorod arrays on a graphene substrate has been investigated by performing classical molecular-dynamics simulations. Benzorod is composed of aligned and dehydrogenated benzene rings that are stacked to form a rod-like structure. It has been found that the arrays considered axe thermally stable up to elevated temperatures, with a dependence on length.
Junction formation in crossed nanotubes under pressure: Molecular-dynamics simulations
Tasci, E; Malcıoğlu, Osman Barış; Erkoc, A (World Scientific Pub Co Pte Lt, 2005-09-01)
Junction formation in crossed C(10,0) single wall carbon nanotubes under pressure has been investigated, using classical molecular-dynamics simulations at 1 K. It has been found that a stable mechanical junction was formed by means of placing two crossed single wall carbon nanotubes between two rigid graphene layers which move toward each other.
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Erkoç, Şakir; Vural, DC (World Scientific Pub Co Pte Lt, 2001-06-01)
The structural stability of carbon nanocages, fullerens and toroids, have been investigated by performing molecular-dynamics computer simulations. The systems considered are C-120 and C-240 in ball and toroidal structures. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that C-120 ball is very unstable, and the other structures are relatively more strong against heat treatment.
IKHDAİR, SAMEER; Sever, Ramazan (World Scientific Pub Co Pte Lt, 2009-03-01)
The point canonical transformation (PCT) approach is used to solve the Schrodinger equation for an arbitrary dimension D with a power-law position-dependent effective mass (PDEM) distribution function for the pseudoharmonic and modified Kratzer (Mie-type) diatomic molecular potentials. In mapping the transformed exactly solvable D-dimensional (D >= 2) Schrodinger equation with constant mass into the effective mass equation by using a proper transformation, the exact bound state solutions including the energ...
First-principles calculations for mechanical and electronic features of strained GaP nanowires
Mohammad, Rezek; Katırcıoğlu, Şenay (World Scientific Pub Co Pte Lt, 2017-03-01)
The mechanical and electronic properties of GaP nanowires are investigated by computing the Young's modulus, Poisson's ratio, energy band gap and effective carrier masses using first-principles calculations based on density functional theory. The wurtzite structural nanowires with diameters upper limited to similar to 27 angstrom are strained by uniaxial strains in the range of -7.5-7.5%. The Young's moduli of nanowires are found to be decreased with increase of the size in the direction of the Young's modu...
Citation Formats
B. Dikmen and M. Tomak, “Electronic structure calculations of low-dimensional semiconductor structures using B-spline basis functions,” INTERNATIONAL JOURNAL OF MODERN PHYSICS C, pp. 237–251, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/36519.