Paper Title:
Electron and Positron Densities for Mono Vacancy in SiC
  Abstract

First principle calculations of the electron and positron band structures are performed for the SiC polytype of the 3C cubic structure. The perfect and vacancy containing elements are considered. The supercell model is incorporated Electron and positron densities as well as the positron lifetime are determined for the Si and C point defects. The resulting characteristics are studied with respect to their counterparts in the perfect crystal. Various approximations to the electron-positron correlations are applied in the calculation of the positron distribution and lifetime. Importance of non-local effects is emphasized.

  Info
Periodical
Edited by
Radosław Zaleski
Pages
1-4
DOI
10.4028/www.scientific.net/MSF.666.1
Citation
A. Rubaszek, "Electron and Positron Densities for Mono Vacancy in SiC", Materials Science Forum, Vol. 666, pp. 1-4, 2011
Online since
December 2010
Authors
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: P. Śpiewak, Krzysztof J. Kurzydłowski, Koji Sueoka, Igor Romandic, Jan Vanhellemont
Abstract:Density functional theory (DFT) with local density approximation has been used to calculate the formation energy (EF) of the neutral vacancy...
241
Authors: An Ning Qiu, Lan Ting Zhang, Jian Sheng Wu
Abstract:Full-potential linearized augmented plane-wave (FP-LAPW) method within the local density approximation plus self-interaction correction...
1029
Authors: Jin Hong Xue, Jing Chao Chen, Jie Yu, Jing Feng, Yong Pan, Rong Chen, Wen Ting Lu
Abstract:Ca3Ru2O7 is new tpye of thermoelectric materials.A theoretical study is presented for the stability, electronic and magnetic properties of...
924
Authors: Yoshiki Iwazaki, Tatsuo Sakashita, Toshimasa Suzuki, Youichi Mizuno, Shinji Tsuneyuki
Abstract:Structural changes induced by oxygen vacancies in tetragonal phase BaTiO3 are studied with first principles calculations within...
19
Authors: Ya Ping Li, Ping Qian, Li Jun Bai, Jin Chun Li, Jiang Shen
Chapter 14: Chemical Materials
Abstract:We systematically performed first-principles investigations of the structural properties, electron energy band, and densities of states (DOS)...
2531