TY - JOUR
T1 - Anomalously large spin-dependent electron correlation in the nearly half-metallic ferromagnet CoS2
AU - Fujiwara, Hirokazu
AU - Terashima, Kensei
AU - Otsuki, Junya
AU - Takemori, Nayuta
AU - Jeschke, Harald O.
AU - Wakita, Takanori
AU - Yano, Yuko
AU - Hosoda, Wataru
AU - Kataoka, Noriyuki
AU - Teruya, Atsushi
AU - Kakihana, Masashi
AU - Hedo, Masato
AU - Nakama, Takao
AU - Ōnuki, Yoshichika
AU - Yaji, Koichiro
AU - Harasawa, Ayumi
AU - Kuroda, Kenta
AU - Shin, Shik
AU - Horiba, Koji
AU - Kumigashira, Hiroshi
AU - Muraoka, Yuji
AU - Yokoya, Takayoshi
N1 - Funding Information:
The laser-based SARPES experiments were conducted at ISSP with the approval of ISSP (Proposals No. B248, No. A182, and No. A177). Part of the ARPES experiments were performed under the Photon Factory Proposal No. 2016G667. This paper was partially supported by the Program for Promoting the Enhancement of Research Universities and a Grant-in-Aid for the Japan Society for the Promotion of Science (JSPS) Fellows (Grant No. 16J03208), and JSPS KAKENHI (Grants No. JP18K03484, No. 20K20522, No. 20H01853, No. 20K20522, No. 21H01041, No. 21H01003, No. 21H01041, and No. 21H01003) from the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). H.F. was supported by a Grant-in-Aid for JSPS Fellows. Part of the computations were carried out at the Supercomputer Center at the Institute for Solid State Physics, the University of Tokyo. This paper was supported by MEXT Leading Initiative for Excellent Young Researchers. We thank A. Ino for providing his ARPES analysis program. We thank M. Shimizu for help with the DFT to DMFT interface. H.F. thanks T. Taniuchi and K. Okazaki for giving H.F. time to advance this study.
Publisher Copyright:
© 2022 American Physical Society.
PY - 2022/8/15
Y1 - 2022/8/15
N2 - The spin-dependent band structure of CoS2, which is a candidate for a half-metallic ferromagnet, was investigated by both spin- and angle-resolved photoemission spectroscopy and theoretical calculations to reappraise the half-metallicity and electronic correlations. We determined the three-dimensional Fermi surface and the spin-dependent band structure. As a result, we found that a part of the minority spin bands is on the occupied side in the vicinity of the Fermi level, providing spectroscopic evidence that CoS2 is not a half-metal but very close. Band calculations using density functional theory with generalized gradient approximation showed good agreement with the observed majority spin eg bands, while it could not explain the observed band width of the minority-spin eg bands. On the other hand, theoretical calculations using dynamical mean field theory could better reproduce the strong mass renormalization in the minority-spin eg bands. Our results strongly suggest the presence of anomalously enhanced spin-dependent electron correlation effects on the electronic structure in the vicinity of the half-metallic state. We also report the temperature dependence of the electronic structure across the Curie temperature and discuss the mechanism of the thermal demagnetization. Our discovery of the anomalously large spin-dependent electronic correlations not only demonstrates a key factor in understanding the electronic structure of half-metals but also provides a motivation to improve theoretical calculations on spin-polarized strongly correlated systems.
AB - The spin-dependent band structure of CoS2, which is a candidate for a half-metallic ferromagnet, was investigated by both spin- and angle-resolved photoemission spectroscopy and theoretical calculations to reappraise the half-metallicity and electronic correlations. We determined the three-dimensional Fermi surface and the spin-dependent band structure. As a result, we found that a part of the minority spin bands is on the occupied side in the vicinity of the Fermi level, providing spectroscopic evidence that CoS2 is not a half-metal but very close. Band calculations using density functional theory with generalized gradient approximation showed good agreement with the observed majority spin eg bands, while it could not explain the observed band width of the minority-spin eg bands. On the other hand, theoretical calculations using dynamical mean field theory could better reproduce the strong mass renormalization in the minority-spin eg bands. Our results strongly suggest the presence of anomalously enhanced spin-dependent electron correlation effects on the electronic structure in the vicinity of the half-metallic state. We also report the temperature dependence of the electronic structure across the Curie temperature and discuss the mechanism of the thermal demagnetization. Our discovery of the anomalously large spin-dependent electronic correlations not only demonstrates a key factor in understanding the electronic structure of half-metals but also provides a motivation to improve theoretical calculations on spin-polarized strongly correlated systems.
UR - http://www.scopus.com/inward/record.url?scp=85136235953&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85136235953&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.106.085114
DO - 10.1103/PhysRevB.106.085114
M3 - Article
AN - SCOPUS:85136235953
SN - 2469-9950
VL - 106
JO - Physical Review B
JF - Physical Review B
IS - 8
M1 - 085114
ER -