[QE-users] Direction of ferroelectric polarization

Rajneesh Chaurasiya rajnano2012 at gmail.com
Fri Apr 13 21:08:57 CEST 2018

Dear expert,

I have an question regarding the direction of ferroelectric polarization.
Position of hexagonal unit cell are A (2/3 1/3 x), B (2/3 1/3 y) and C (1/3
2/3 z). Here i have considered monolayer and considered the gdir 1, 2 and
3, in which observed the ferroelectric polarization along (100), (-0.5
0.866 0) and (001) direction. The value of total ferroelectric polarization
should be zero as per report but i couldn't observed. please suggest me how
to define the direction for ferroelectric polarization.

Thank you.

Thanks & Regards
Rajneesh Chaurasiya
Research Scholar
IIT Jodhpur, India
Mob. No. +91-9584499697
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