TY - GEN
T1 - Effects of the supercell’s size on muon positions calculations of la2cuo4
AU - Ramadhan, Muhammad Redo
AU - Ramli, Irwan
AU - Umar, Muhammad Darwis
AU - Winarsih, Suci
AU - Sari, Dita Puspita
AU - Manaf, Azwar
AU - Kurniawan, Budhy
AU - Mohamed-Ibrahim, Mohamed Ismail
AU - Sulaiman, Shukri
AU - Watanabe, Isao
N1 - Funding Information:
The authors gratefully acknowledge the supports from the International Program Associate (IPA) RIKEN, Japan and also for the allocation of computing resources on the Big Wave HOKUSAI Massive Parallel Computer (Project number G18022) from the RIKEN Advanced Center for Computing and Communication (ACCC). Two of us (SS and MIMI) would like to acknowledge the financial support by Universiti Sains Malaysia through a Research University Grant (Grant No. 1001/PJJAUH/870037). This study is supported by the Bilateral Program of Japan Society for the Promotion of Science.
Publisher Copyright:
© 2019 Trans Tech Publications Ltd, Switzerland.
PY - 2019
Y1 - 2019
N2 - The outcome of density functional theory (DFT) technique within the supercell’s framework of La2CuO4 (LCO) are reported. We evaluated local dipolar fields of muon’s position inside LCO assuming dipolar interaction occurred by varying the supercell’s size. We found out that the field on proposed muon’s trapping positions was known to be not affected so much by the supercell’s size and still fairly larger than the experimental data. Our results suggest that the inclusion of quantum effects of implanted muon and electronic spin are required to explain experimental data.
AB - The outcome of density functional theory (DFT) technique within the supercell’s framework of La2CuO4 (LCO) are reported. We evaluated local dipolar fields of muon’s position inside LCO assuming dipolar interaction occurred by varying the supercell’s size. We found out that the field on proposed muon’s trapping positions was known to be not affected so much by the supercell’s size and still fairly larger than the experimental data. Our results suggest that the inclusion of quantum effects of implanted muon and electronic spin are required to explain experimental data.
KW - Density functional theory
KW - LaCuO
KW - Muon’s positions
KW - Supercell
UR - http://www.scopus.com/inward/record.url?scp=85071942980&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85071942980&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/MSF.966.465
DO - 10.4028/www.scientific.net/MSF.966.465
M3 - Conference contribution
AN - SCOPUS:85071942980
SN - 9783035714968
T3 - Materials Science Forum
SP - 465
EP - 470
BT - Functional Properties of Modern Materials II
A2 - Darminto, null
A2 - Kurniawan, Budhy
A2 - Risdiana, null
A2 - Watanabe, Isao
A2 - Nugroho, Agustinus Agung
PB - Trans Tech Publications Ltd
T2 - 4th International Conference on Functional Materials Science, ICFMS 2018
Y2 - 13 November 2018 through 15 November 2018
ER -