NISCAIR Online Periodicals Repository

Research Journals >
Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.49 [2011] >
IJPAP Vol.49(10) [October 2011] >

Title: First principles study of electronic, elastic and lattice dynamical properties of Mg2X (X= Si, Ge and Sn) compounds
Authors: Pandit, Premlata
Sanyal, Sankar P
Keywords: Semiconductor
Electronic band structure
Mechanical properties
Issue Date: Oct-2011
Publisher: NISCAIR-CSIR, India
Abstract: First principles pseudopotential method based on density functional theory is used to investigate the structural, electronic, elastic and phonon properties of Mg2X (X=Si, Ge, Sn) compounds at ambient pressure in antifluorite (anti-CaF2-type) structure. The calculated lattice parameters, static bulk modulus, its first order pressure derivatives and the elastic constants are compared with available experimental and other theoretical results. All the compounds have shown very small indirect band gap. The linear response method is applied to determine the phonon dispersion relations and phonon density of states. The phonon frequencies of these compounds are compared with Raman frequency to reveal small LO-TO splitting at zone center.
Page(s): 692-697
CC License:  CC Attribution-Noncommercial-No Derivative Works 2.5 India
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Source:IJPAP Vol.49(10) [October 2011]

Files in This Item:

File Description SizeFormat
IJPAP 49(10) 692-697.pdf257.78 kBAdobe PDFView/Open
 Current Page Visits: 189 
Recommend this item


Online Submission of Articles |  NISCAIR Website |  National Knowledge Resources Consortium |  Contact us |  Feedback

Disclaimer: NISCAIR assumes no responsibility for the statements and opinions advanced by contributors. The editorial staff in its work of examining papers received for publication is helped, in an honorary capacity, by many distinguished engineers and scientists.

CC License Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India

Copyright © 2015 The Council of Scientific and Industrial Research, New Delhi. All rights reserved.

Powered by DSpace Copyright © 2002-2007 MIT and Hewlett-Packard | Compliant to OAI-PMH V 2.0

Home Page Total Visits: 167111 since 01-Sep-2015  Last updated on 28-Jun-2016Webmaster: