A NEW EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION - APPLICATION TO MICROCLUSTERS

Date

1989-04-01

Author

Erkoç, Şakir

Metadata

Show full item record

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

Item Usage Stats

151
views

0
downloads

A new empirical many‐body potential energy function is proposed which comprises two‐ and three‐body interactions. The two‐body potential is a kind of hybrid function and the three‐body potential is expressed in terms of the two‐body interactions. The parameters of the potential energy function can be easily evaluated using dimer data and the bulk cohesive energy of the system considered. The proposed potential energy function is parameterized for several elements in f.c.c., b.c.c., and diamond structures and is applied for the investigation of structural stability and energetics of microclusters. The agreement between the present results and literature values is good.

Subject Keywords

Electronic, Optical and Magnetic Materials, Condensed Matter Physics

URI

https://hdl.handle.net/11511/51786

Journal

PHYSICA STATUS SOLIDI B-BASIC RESEARCH

DOI

https://doi.org/10.1002/pssb.2221520206

Collections

Department of Physics, Article

Suggestions

OpenMETU
Core

A NEW CLASS OF EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTIONS FOR BULK AND CLUSTER PROPERTIES Erkoç, Şakir (Wiley, 1992-06-01) A new empirical many-body potential energy function (PEF) is proposed, which comprices two- and three-body atomic interactions. The two-body potential is a kind of hybrid function and the three-body potential is formed by additive and nonadditive functions. The additive part is expressed in terms of two-body interactions, and the nonadditive part is expressed as triple-dipole function. The PEF satisfies bulk cohesive energy, bulk stability condition, and bulk modulus. The PEF is parameterized for gold, silv...
A new empirical many-body potential energy function application to microclusters: elements in B.C.C., F.C.C., and H.C.P. structures Erkoç, Sevilay (Wiley, 1989-10-1) A new empirical many‐body potential energy function (PEF) has been proposed recently, and it has been successfully applied to microclusters of various elements. Using the new PEF the microcluster calculations are extended to several elements in b.c.c., f.c.c., and h.c.p. structures.
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...
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...
Spin-correlation effects in a one-dimensional electron gas Tas, M; Tomak, Mehmet (American Physical Society (APS), 2004-12-01) The Singwi-Sjolander-Tosi-Land (SSTL) approach is generalized to study the spin-correlation effects in a one-dimensional (1D) electron gas. It is shown that the SSTL approach yields different and interesting results compared with the more widely used Singwi-Tosi-Land-Sjolander (STLS) approach. We find out that the self-consistent field approaches, STLS and SSTL, predict a Bloch transition for 1D electron-gas systems at low electron densities.

Citation Formats

Ş. Erkoç, “A NEW EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION - APPLICATION TO MICROCLUSTERS,” PHYSICA STATUS SOLIDI B-BASIC RESEARCH, pp. 447–454, 1989, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51786.