Electronic structure of the chainlike compound TlSe

Download

index.pdf

Date

2004-11-01

Author

Ellialtıoğlu, Süleyman Şinasi
Mete, E
Shaltaf, R
Allakhverdiev, K
Gashimzade, F
Nizametdinova, M
Orudzhev, G

Metadata

Show full item record

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

Item Usage Stats

202
views

72
downloads

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 chainlike 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.

Subject Keywords

Electronic, Optical and Magnetic Materials, Condensed Matter Physics

URI

https://hdl.handle.net/11511/57085

Journal

PHYSICAL REVIEW B

DOI

https://doi.org/10.1103/physrevb.70.195118

Collections

Graduate School of Natural and Applied Sciences, Article

Suggestions

OpenMETU
Core

ELECTRON POLARIZATION IN QUANTUM-WELLS WITH UNIFORM ELECTRIC-FIELD ILAIWI, KF; Tomak, Mehmet (Wiley, 1991-08-01) The polarization of a quantum electron confined in square, parabolic, and triangular quantum wells is calculated numerically. The aim of the present calculations is to compare the results for various geometries.
Electronic structure of a many-electron spherical quantum dot with an impurity Sahin, M; Tomak, Mehmet (American Physical Society (APS), 2005-09-01) We investigate the electronic structure of a many-electron spherical quantum dot with and without hydrogenic impurity. The number of electrons is taken as N=18. The density functional theory is used within local density approximation. Total energy, chemical potential, addition energy spectra, and the shell structure are determined and the results obtained are compared for cases with and without impurity. It is observed that the capacitive energy with the impurity increases in the 1s shell with respect to th...
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...
Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations KURBAN, MUSTAFA; Erkoç, Şakir (Elsevier BV, 2017-04-01) Surface and core formation, thermal and electronic properties of ternary cubic CdZnTe clusters are investigated by using classical molecular dynamics (MD) simulations and density functional theory (DFT.) calculations. In this work, MD simulations of the CdZnTe clusters are performed by means of LAMMPS by using bond order potential (BOP). MD simulations are carried out at different temperatures to study the segregation phenomena of Cd, Zn and Te atoms, and deviation of clusters and heat capacity. After that,...

Citation Formats

S. Ş. Ellialtıoğlu et al., “Electronic structure of the chainlike compound TlSe,” PHYSICAL REVIEW B, pp. 0–0, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57085.