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journal article·2016-05-01Open access

α-K2AgF4: Ferromagnetism induced by the weak superexchange of different eg orbitals from the nearest neighbor Ag ions

Xiaoli Zhang, Guoren Zhang, Ting Jia, Zhi Zeng, H. Q. Lin

AIP Advances· Volume 6· Issue 5
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Source abstract

Abstract

We study the abnormal ferromagnetism in α-K2AgF4, which is very similar to high-TC parent material La2CuO4 in structure. We find out that the electron correlation is very important in determining the insulating property of α-K2AgF4. The Ag(II) 4d9 in the octahedron crystal field has the t2g6eg3 electron occupation with eg x2-y2 orbital fully occupied and 3z2-r2 orbital partially occupied. The two eg orbitals are very extended indicating both of them are active in superexchange. Using the Hubbard model combined with Nth-order muffin-tin orbital (NMTO) downfolding technique, it is concluded that the exchange interaction between eg 3z2-r2 and x2-y2 from the first nearest neighbor Ag ions leads to the anomalous ferromagnetism in α-K2AgF4.
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Research context

OpenAlex topics: Advanced Condensed Matter Physics · Inorganic Fluorides and Related Compounds · Physics of Superconductivity and Magnetism

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Chinese Academy of Sciences 1 Key Laboratory of Materials Physics, Institute of Solid State Physics, , Hefei 230031, China

Chinese Academy of Sciences 2 Key Laboratory of Materials Physics, Institute of Solid State Physics, , Hefei 230031, China and , Hefei 230026, China

University of Science and Technology of China 2 Key Laboratory of Materials Physics, Institute of Solid State Physics, , Hefei 230031, China and , Hefei 230026, China

Beijing Computational Science Research Center 3 , Beijing 100084, China

Funding

Major States Basic Research Project of China · National Natural Science Foundation of China

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