Mechanical Properties Calculation of II-VI Semiconductors: Cd (1-y)Zn(y)Te (0<y<1)

Authors
Martínez, Ana María; Soriano, Rosario; Faccio, Ricardo; Trigubo, Alicia Beatriz
Publication Year
2015
Language
English
Format
article
Status
Published version
Description
Mechanical properties of semiconductors: CdTe, ZnTe and CdTe alloyed with 2 at% and 5 at% of Zn have been calculated, using the computer code WIEN2k. The program uses the Density Functional Theory. The results show that increasing the amount of Zn, results in greater values of mechanical properties and contraction of the lattice parameter since replacement of Cd by Zn establish lower Zn-Te distance compared with Cd-Te. The behavior is different for the C12 constant of Cd0.90Zn0.10Te, the shear and Young modulus of CdTe. Meanwhile Poisson´s ratio is constant. The calculated values for CdTe and ZnTe differ from the experimental values between 8% and 21%. The calculated values differ from others authors between 2% and 21%. There are no experimental data of the alloyed CdTe. Values of CdTe alloyed whit Zn are between the CdTe and ZnTe closest to the CdTe. Differences with data calculated by other authors are noticeable.
Fil: Martínez, Ana María. Provincia de Misiones. Comité de Desarrollo e Innovación Tecnológica. Centro de Desarrollo e Innovación Tecnológica; Argentina
Fil: Soriano, Rosario. Universidad Tecnológica Nacional; Argentina
Fil: Faccio, Ricardo. Universidad de la República; Uruguay
Fil: Trigubo, Alicia Beatriz. Universidad Tecnológica Nacional; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Unidad de Investigación y Desarrollo Estratégico para la Defensa. Ministerio de Defensa. Unidad de Investigación y Desarrollo Estratégico para la Defensa; Argentina
Subject
Semiconductors II-VI
DFT
CZT Detectors
WIEN 2K
X ray and Gamma Detectors
Recubrimientos y Películas
Ingeniería de los Materiales
INGENIERÍAS Y TECNOLOGÍAS
Access level
Restricted access
License
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repository
CONICET Digital (CONICET)
Institution
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identifier
oai:ri.conicet.gov.ar:11336/44193