Implementation of HSE with external electric filed
Posted: Mon Feb 05, 2018 12:01 am
Dear all,
I would like to know the possibility of computing the insulator to metal transition in 2D materials upon electric filed (using EFIELD option) with DFT+HSE method. To my best knowledge, tuning electronic properties with in standard DFT were reported so far in previous literature and not yet with HSE method. Kindly correct me if I am wrong and suggest me the possibilities.
Thanks in advance
with regards
S. Appalakondaiah
Postdoctoral scholar
SAINT
Sungkyunkwan university
South Korea
I would like to know the possibility of computing the insulator to metal transition in 2D materials upon electric filed (using EFIELD option) with DFT+HSE method. To my best knowledge, tuning electronic properties with in standard DFT were reported so far in previous literature and not yet with HSE method. Kindly correct me if I am wrong and suggest me the possibilities.
Thanks in advance
with regards
S. Appalakondaiah
Postdoctoral scholar
SAINT
Sungkyunkwan university
South Korea