Open AccessA comparative study of structural, electronic and magnetic properties of DyOCl and HoOCl lanthanide oxychlorides: first-principles predictions of DFT, DFT + U and DFT + U + SOC methods
Author(s) -
Mahreen Akhtar,
Amin Ur Rahman,
Azmat Iqbal,
Sikander Azam,
Abdul Qayyum
Publication year - 2020
Publication title -
materials research express
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.383
H-Index - 35
ISSN - 2053-1591
DOI - 10.1088/2053-1591/ab8528
Subject(s) - lanthanide , density functional theory , computational chemistry , chemistry , materials science , ion , organic chemistry