EMPIRICAL TIGHT-BINDING TOTAL ELECTRONIC-ENERGY CALCULATION FOR SINH2M (N = 1 TO 6, M = 1 TO 3) CLUSTERS

Date

1993-06-01

Author

Katırcıoğlu, Şenay

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

239
views

0
downloads

The stable structures of SinH2m (n = 1 to 6, m = 1 to 3) clusters are investigated by the total electronic energy calculation using an empirical tight-binding (ETB) method. It seems that bridged H-bond models are also possible for small Si(n)H(m) clusters.

Subject Keywords

Electronic, Optical and Magnetic Materials, Condensed Matter Physics

URI

https://hdl.handle.net/11511/37180

Journal

PHYSICA STATUS SOLIDI B-BASIC RESEARCH

DOI

https://doi.org/10.1002/pssb.2221770212

Collections

Department of Physics, Article

Suggestions

OpenMETU
Core

Critical behaviour of the polarization, tilt angle, electric susceptibility and the specific heat close to the SmA-ferroelectric SmC (SmC*) phase transitions Yurtseven, Hasan Hamit; Kilit, E. (Informa UK Limited, 2006-01-01) This study gives the temperature dependence of the two order parameters, namely, polarization P and the tilt angle theta, when there is a biquadratic coupling P-2 theta(2) in the expansion of the Landau free energy. This applies to the electric-field-induced SmA-Ferro-Electric SmC (SmC*) phase transition. From this expansion of the Landau free energy in terms of the polarization and the tilt angle, we obtain the temperature dependence of the electric susceptibility chi and the electric field dependence of t...
Finite mean free paths and the electrical resistivity of liquid simple metals and binary alloys Khajil, T. M. A.; Daver, Fugen; Tomak, Mehmet (Wiley, 1986-11-1) The finite mean‐free‐path correction to the Ziman formalism of the resistivity for liquid metals and some binary alloys are calculated using the Ferraz‐March approach.
Molecular-dynamics simulations of surface and bulk properties of Zn, Cd, and ZnCd systems Amirouche, L; Erkoç, Şakir (Wiley, 2004-02-01) Surface and bulk properties of Zn, Cd, and ZnCd systems have been investigated by performing molecular-dynamics simulations using a recently developed empirical many-body potential energy function for these systems, which comprices two- and three-body atomic interactions. Surface reconstruction and multilayer relaxation on clean surfaces, adatom on surface, substitutional atom on surface and bulk materials, and vacancy on surface and bulk materials have been studied extensively. (C) 2004 WILEY-VCH Verlag Gm...
Optoelectronic and electrical properties of TlGaS2 single crystal Qasrawi, AF; Hasanlı, Nızamı (Wiley, 2005-10-01) The optoelectronic and electrical properties of TIGaS2 single crystals have been investigated by means of room temperature transmittance and reflectance spectral analysis, Hall coefficient, dark electrical resistivity and photocurrent measurements in the temperature range of 200-350 K. The optical data have revealed an indirect and direct allowed transition band gaps of 2.45 and 2.51 eV, an oscillator and dispersion energy of 5.04 and 26.45 eV, respectively, a static dielectric constant of 6.25 and static r...
Photoelectronic, optical and electrical properties of TlInS2 single crystals Qasrawi, AF; Hasanlı, Nızamı (Wiley, 2003-09-01) To specify the donor energy levels in TlInS2 single crystals, the dark electrical resistivity, photoconductivity and Hall measurements were carried out in the temperature range of 100-400 K, 110-350 K and 170-400 K, respectively. The Hall measurements revealed that the crystals exhibit an anomalous behavior of Hall voltage by changing sign (from p-type to n-type conductivity) at 315 K. By means of the temperature dependence of dark electrical resistivity, Hall coefficient and photocurrent measurements the d...

Citation Formats

Ş. Katırcıoğlu, “EMPIRICAL TIGHT-BINDING TOTAL ELECTRONIC-ENERGY CALCULATION FOR SINH2M (N = 1 TO 6, M = 1 TO 3) CLUSTERS,” PHYSICA STATUS SOLIDI B-BASIC RESEARCH, pp. 373–378, 1993, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/37180.