Please use this identifier to cite or link to this item: http://repository.vnu.edu.vn/handle/VNU_123/28986
Title: Influence of doped rare earth elements on electronic properties of the R0.25Ca0.75MnO3 systems
Authors: Nguyen, Hoang Linh
Nguyen, Thuy Trang
Nguyen, Tien Cuong
Keywords: Calcium manganese;Density functional theory;Doping compound;Doped rare – earth elements
Issue Date: 2010
Publisher: ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Citation: ISIKNOWLEDGE
Abstract: The influence of doped rare earth elements on the some electronic properties of perovskite systems R0.25Ca0.75MnO3 (R = La, Nd, Eu, Tb, Ho, Y) is investigated using the density functional theory with Dmol3 code. The density of states, band structure, tolerance factor and Jahn–Teller splitting energy were calculated. By doping the different rare earth elements, the systems show different changing in the crystal structure, hopping amplitude, and electrical resistivity. Among these doping compounds, the Eu0.25Ca0.75MnO3 exhibits the strongest structural change corresponding to the largest Jahn–Teller splitting.
Description: TNS06113 ; COMPUTATIONAL MATERIALS SCIENCE Volume: 50 Issue: 1 Pages: 2-5
URI: http://repository.vnu.edu.vn/handle/VNU_123/28986
http://www.sciencedirect.com/science/article/pii/S0927025610001102
ISSN: 0927-0256
Appears in Collections:Bài báo của ĐHQGHN trong Web of Science

Files in This Item:
Thumbnail

  • File : TNS06113.pdf
  • Description : 
  • Size : 1.1 MB
  • Format : Adobe PDF


  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.