Structural, electronic and magnetic properties of Fe-doped strontium ruthenates

被引:0
作者
Liu, Nan [1 ]
Wang, Xiao-Chao [1 ]
Si, LIang [1 ,2 ]
机构
[1] Northwest Univ, Sch Phys, Xian 710127, Peoples R China
[2] TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria
关键词
first-principles calculations; double perovskites; correlation effects; dynamical mean-field theory; SUPERCONDUCTIVITY; SR2RUO4; PEROVSKITES; SRRUO3; EMERGENCE; DYNAMICS; STATE;
D O I
10.1088/1674-1056/ad0112
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
By employing a combined approach of density-functional theory (DFT) and dynamical mean-field theory (DMFT) calculations, we examine the structural, electronic, and magnetic characteristics of two distinct strontium ruthenates: Sr2RuO4, an unconventional superconductor, and the correlated metal SrRuO3, both at 50% Fe-doping level. In both Sr2Fe0.5Ru0.5O4 and SrFe0.5Ru0.5O3, the original ruthenium (Ru) and the dopant iron (Fe) atoms adopt 3-dimensional and 2-dimensional G-type structures, respectively. The hybridization between Fe-3d and Ru-4d is comparatively weaker than in other double perovskite systems. The interplay between strong correlations and reduced itinerancy results in significant spin splitting at Fe and Ru sites. Consequently, a charge transfer process, along with the super-exchange effect, leads to antiferromagnetically coupled Fe3+ and Ru5+ ions and establishes a semiconducting ferrimagnetic order. Subsequent DMFT calculations demonstrate the persistence of the ferrimagnetic order even at room temperature (300 K). These findings align with prior reports on SrFe0.5Ru0.5O3, thus reinforcing the notion that 3d-4d transition metal oxides hold considerable promise as candidates for high-performance spintronic devices, such as spin-valve sensors and spintronic giant magnetoresistance devices.
引用
收藏
页数:9
相关论文
共 71 条
[1]   RESONATING VALENCE-BOND THEORY OF PHASE-TRANSITIONS AND SUPERCONDUCTIVITY IN LA2CUO4-BASED COMPOUNDS [J].
ANDERSON, PW ;
BASKARAN, G ;
ZOU, Z ;
HSU, T .
PHYSICAL REVIEW LETTERS, 1987, 58 (26) :2790-2793
[2]   BAND THEORY AND MOTT INSULATORS - HUBBARD-U INSTEAD OF STONER-I [J].
ANISIMOV, VI ;
ZAANEN, J ;
ANDERSEN, OK .
PHYSICAL REVIEW B, 1991, 44 (03) :943-954
[3]   Metal-insulator transition in Fe-substituted SrRuO3 bad metal system [J].
Bansal, C ;
Kawanaka, H ;
Takahashi, R ;
Nishihara, Y .
JOURNAL OF ALLOYS AND COMPOUNDS, 2003, 360 (1-2) :47-53
[4]   SPIN-GLASS BEHAVIOR IN SR2FERUO6 AND BALANIRUO6 - A COMPARISON WITH ANTIFERROMAGNETIC BALAZNRUO6 [J].
BATTLE, PD ;
GIBB, TC ;
JONES, CW ;
STUDER, F .
JOURNAL OF SOLID STATE CHEMISTRY, 1989, 78 (02) :281-293
[5]   Interface Control of Emergent Ferroic Order in Ruddlesden-Popper Srn+1TinO3n+1 [J].
Birol, Turan ;
Benedek, Nicole A. ;
Fennie, Craig J. .
PHYSICAL REVIEW LETTERS, 2011, 107 (25)
[6]  
Blaha P., 2001, An augmented plane wave+local orbitals program for calculating crystal properties, V60, P1
[7]   Incommensurate magnetic ordering in Sr2Ru1-xTixO4 -: art. no. 197002 [J].
Braden, M ;
Friedt, O ;
Sidis, Y ;
Bourges, P ;
Minakata, M ;
Maeno, Y .
PHYSICAL REVIEW LETTERS, 2002, 88 (19) :4
[8]  
Cao M., 2005, Agnew Chem, V117, P4269
[9]   Emergence of Room-Temperature Magnetic Ordering in Artificially Fabricated Ordered-Double-Perovskite Sr2FeRuO6 [J].
Chang, Jaewan ;
Lee, Kyujoon ;
Jung, Myung Hwa ;
Kwon, Ji-Hwan ;
Kim, Miyoung ;
Kim, Sang-Koog .
CHEMISTRY OF MATERIALS, 2011, 23 (11) :2693-2696
[10]   Charge transfer driven emergent phenomena in oxide heterostructures [J].
Chen, Hanghui ;
Millis, Andrew .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2017, 29 (24)