Paper Information

Title: 

CALCULATION OF ELASTIC CONSTANTS OF γ-CE

Type: PAPER
Author(s): REZAEIAN PEIMAN,JALALI ASADABADI SAEID,AMINI HAMED
 
 
 
Name of Seminar: IRAN PHYSICS CONFERENCE
Type of Seminar:  CONFERENCE
Sponsor:  PHYSICS SOCIETY OF IRAN
Date:  2005Volume -
 
 
Abstract: 

IN THIS PAPER WE CALCULATED THE ELASTIC CONSTANTS OF G-CE. THE CALCULATIONS WERE PERFORMED SELF-CONSISTENTLY USING THE FULL POTENTIAL AUGMENTED PLANE WAVE PLUS LOCAL ORBITAL (FP-APW+LO) METHOD. WE USED THE GENERALIZED GRADIENT APPROXIMATION (GGA) TO CALCULATE THE EXCHANGE-CORRELATION ENERGY. THE ELASTIC CONSTANTS WERE OBTAINED FROM THE SECOND ORDER DERIVATIVES OF ENERGY WITH RESPECT TO LATTICE PARAMETERS. IN THIS WORK WE INTRODUCED A METHOD TO IMPOSE A DEFORMATION TO THE PRIMARY STRUCTURE TO SIMPLIFY OUR CALCULATIONS CHANGING AN FCC STRUCTURE TO BCT.

 
Keyword(s): 
 
Yearly Visit 8   tarjomyar
 
Latest on Blog
Enter SID Blog