Volume 11, Issue 4 (Iranian Journal of Physics Research, Winter 2012)                   IJPR 2012, 11(4): 387-396 | Back to browse issues page

XML Persian Abstract Print

Download citation:
BibTeX | RIS | EndNote | Medlars | ProCite | Reference Manager | RefWorks
Send citation to:

Ghasemikhah E, Jalali Asadabadi S. Electronic properties of antiferromagnetic UBi2 metal by exact exchange for correlated electrons method. IJPR. 2012; 11 (4) :387-396
URL: http://ijpr.iut.ac.ir/article-1-894-en.html
University of Isfahan
Abstract:   (15269 Views)
This study investigated the electronic properties of antiferromagnetic UBi2 metal by using ab initio calculations based on the density functional theory (DFT), employing the augmented plane waves plus local orbital method. We used the exact exchange for correlated electrons (EECE) method to calculate the exchange-correlation energy under a variety of hybrid functionals. Electric field gradients (EFGs) at the uranium site in UBi2 compound were calculated and compared with the experiment. The EFGs were predicted experimentally at the U site to be very small in this compound. The EFG calculated by the EECE functional are in agreement with the experiment. The densities of states (DOSs) show that 5f U orbital is hybrided with the other orbitals. The plotted Fermi surfaces show that there are two kinds of charges on Fermi surface of this compound.
Full-Text [PDF 72 kb]   (3146 Downloads)    
Type of Study: Research | Subject: General

Add your comments about this article : Your username or Email:

© 2019 All Rights Reserved | Iranian Journal of Physics Research

Designed & Developed by : Yektaweb