All-electron Investigation of the Electronic Structure of Sulfide Actinides XS (X=Th, Pu)

  • E. Chigo Anota Facultad de Ingeniería Química, Av. San Claudio y Blvd. 18 Sur; 1 Posgrado en Ciencias Químicas-Facultad de Ciencias Químicas, Blvd. 14 Sur 6301; Benemérita Universidad Autónoma de Puebla, C. P. 72570, Pue., México
  • J. F. Rivas Silva Instituto de Física "Luis Rivera Terrazas", Benemérita Universidad Autónoma de Puebla, Apdo. Postal J-48. C. P. 72570, Pue., México

Abstract

We investigate the electronic structure of NaCl-type sulfide actinides XS (X=Th, Pu) using the Tight Binding linearized muffin-tin orbital method in the methodology of the atomic sphere approximation at LSDA and GGS approximations under the density functionals theory (DFT). The optimal geometry of compounds was obtained first, and their band structures and total and partial densities of states and bulk modules were obtained too in the ferromagnetic state.

Published
Jul 1, 2006
How to Cite
CHIGO ANOTA, E.; RIVAS SILVA, J. F.. All-electron Investigation of the Electronic Structure of Sulfide Actinides XS (X=Th, Pu). Revista Cubana de Física, [S.l.], v. 23, n. 1, p. 39-44, july 2006. ISSN 2224-7939. Available at: <https://revistacubanadefisica.org/index.php/rcf/article/view/RCF_23_1_39>. Date accessed: 19 aug. 2022.
Section
Original Articles