Title :
Band gap and Debye temperature of the alloys of SbTeSe: An ab-initio study
Author :
Mahalakshmi, K. ; Sankar, S. ; Sathyakumari, V.S. ; Subhashree, G. ; Krithiga, R.
Author_Institution :
Dept. of Phys., Anna Univ., Chennai, India
Abstract :
The band gap and Debye temperature of the antimony alloys of the form Sb2TexSe3-x (x = 3, 2, 1, 0), have been computed and the results are corroborated well with the earlier experimental reports. The required input data such as Fermi energy, density of states, etc., have been obtained by using the well known tight binding linear muffin tin orbital technique.
Keywords :
Debye temperature; Fermi level; ab initio calculations; antimony compounds; chalcogenide glasses; electronic density of states; energy gap; linear muffin-tin orbital method; tight-binding calculations; Debye temperature; Fermi energy; Sb2TexSe3-x; SbTeSe alloys; ab-initio calculation; antimony alloys; band gap; density of states; input data; tight binding linear muffin tin orbital technique; Compounds; Crystals; Metals; Optical films; Optical recording; Photonic band gap; Solids; Debye temperature; Fermi energy; bulk modatos; density of states;
Conference_Titel :
Science Engineering and Management Research (ICSEMR), 2014 International Conference on
Print_ISBN :
978-1-4799-7614-0
DOI :
10.1109/ICSEMR.2014.7043650
