TY - GEN
T1 - Magnetic properties of yba2cu3o6 studied by density functional theory calculation
AU - Ramli, Irwan
AU - Mohd-Tajudin, S. S.
AU - Ramadhan, M. R.
AU - Sari, D. P.
AU - Sulaiman, S.
AU - Mohamed-Ibrahim, M. I.
AU - Kurniawan, B.
AU - Watanabe, I.
N1 - Funding Information:
The author would like to acknowledge the HOKUSAI Supercomputing facility (Project No: G18022) at the Advanced Center for Computing and Communication (ACCC) of RIKEN. The author IR would like to thank to DIKTI and LPDP for Beasiswa Unggulan Dosen Indonesia, Luar Negeri (BUDI-LN) scholarship supports. 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.
PY - 2019
Y1 - 2019
N2 - We present the results of investigations on the muon sites in YBa2Cu3O6 (YBCO6) by using the density functional theory (DFT) calculation technique in order to achieve a deeper understanding of its magnetic properties. We included the Hubbard parameter, U, among electrons in our DFT calculations in order to simulate realistic electronic and magnetic state in YBCO6. We found that the U value does not affect the muon sites in YBCO6 but the related internal field has strong dependence on U value. In this study, we tried to optimize the value of U comparing with the experimental result.
AB - We present the results of investigations on the muon sites in YBa2Cu3O6 (YBCO6) by using the density functional theory (DFT) calculation technique in order to achieve a deeper understanding of its magnetic properties. We included the Hubbard parameter, U, among electrons in our DFT calculations in order to simulate realistic electronic and magnetic state in YBCO6. We found that the U value does not affect the muon sites in YBCO6 but the related internal field has strong dependence on U value. In this study, we tried to optimize the value of U comparing with the experimental result.
KW - Density functional theory
KW - Mott insulator
KW - Muon site
KW - YBCO
UR - http://www.scopus.com/inward/record.url?scp=85071947365&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85071947365&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/MSF.966.257
DO - 10.4028/www.scientific.net/MSF.966.257
M3 - Conference contribution
AN - SCOPUS:85071947365
SN - 9783035714968
T3 - Materials Science Forum
SP - 257
EP - 262
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 -