STUDY OF DOPING EFFECT ON THE ELECTRONIC-STRUCTURE OF SR1-XLAXTIO3

Authors
PARI G RAMAKUMAR R MOOKERJEE A
Citation
G. Pari et al., STUDY OF DOPING EFFECT ON THE ELECTRONIC-STRUCTURE OF SR1-XLAXTIO3, Modern physics letters B, 10(11), 1996, pp. 505-514
Citations number
17
Categorie Soggetti
Physics, Applied","Physics, Condensed Matter","Physycs, Mathematical
Journal title
Modern physics letters B → ACNP
ISSN journal
02179849
Volume
10
Issue
11
Year of publication
1996
Pages
505 - 514
Database
ISI
SICI code
0217-9849(1996)10:11<505:SODEOT>2.0.ZU;2-X
Abstract
We have studied the doping effects of the electronic structure of Sr1- xLaxTiO3 TiO3 for x = 0, 0.25, 0.5, 0.75, 1, using the Tight-Binding L inearized Muffin Tin Orbitals (TB-LMTO) method. The calculated energy gap of SrTiO3 (x = 0) shows an excellent agreement with the experiment al result. The system goes to metallic phase for 0 < x < 0.95 and goes to an antiferromagnetic phase for x = 1, agreeing well with the exper imental observations. The cohesive energies for the above mentioned 3 values are also calculated.