Crystal growth engineering and origin of the weak ferromagnetism in antiferromagnetic matrix of orthochromates from t-e orbital hybridization
Yinghao Zhu,
Junchao Xia,
Si Wu,
Kaitong Sun,
Yuewen Yang,
Yanling Zhao,
Hei Wun Kan,
Yang Zhang,
Ling Wang,
Hui Wang,
Jinghong Fang,
Chaoyue Wang,
Tong Wu,
Yun Shi,
Jianding Yu,
Ruiqin Zhang,
Hai-Feng Li
Affiliations
Yinghao Zhu
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macao SAR 999078, China; Department of Physics, City University of Hong Kong, Kowloon, Hong Kong SAR 999077, China; State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China; Guangdong–Hong Kong–Macao Joint Laboratory for Neutron Scattering Science and Technology, No. 1. Zhongziyuan Road, Dalang, DongGuan 523803, China
Junchao Xia
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macao SAR 999078, China; Guangdong–Hong Kong–Macao Joint Laboratory for Neutron Scattering Science and Technology, No. 1. Zhongziyuan Road, Dalang, DongGuan 523803, China
Si Wu
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macao SAR 999078, China; Guangdong–Hong Kong–Macao Joint Laboratory for Neutron Scattering Science and Technology, No. 1. Zhongziyuan Road, Dalang, DongGuan 523803, China
Kaitong Sun
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macao SAR 999078, China
Yuewen Yang
Department of Physics, City University of Hong Kong, Kowloon, Hong Kong SAR 999077, China
Yanling Zhao
Department of Physics, City University of Hong Kong, Kowloon, Hong Kong SAR 999077, China
Hei Wun Kan
Department of Physics, City University of Hong Kong, Kowloon, Hong Kong SAR 999077, China
Yang Zhang
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Ling Wang
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Hui Wang
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Jinghong Fang
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Chaoyue Wang
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Tong Wu
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Yun Shi
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China
Jianding Yu
State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China; Corresponding author
Ruiqin Zhang
Department of Physics, City University of Hong Kong, Kowloon, Hong Kong SAR 999077, China; Corresponding author
Hai-Feng Li
Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Avenida da Universidade, Taipa, Macao SAR 999078, China; Corresponding author
Summary: We report a combined experimental and theoretical study on intriguing magnetic properties of quasiferroelectric orthochromates. Large single crystals of the family of RECrO3 (RE = Y, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) compounds were successfully grown. Neutron Laue study indicates a good quality of the obtained single crystals. Applied magnetic field and temperature dependent magnetization measurements reveal their intrinsic magnetic properties, especially the antiferromagnetic (AFM) transition temperatures. Density functional theory studies of the electronic structures were carried out using the Perdew-Burke-Ernzerhof functional plus Hubbard U method. Crystallographic information and magnetism were theoretically optimized systematically. When RE3+ cations vary from Y3+ and Eu3+ to Lu3+ ions, the calculated t-e orbital hybridization degree and Néel temperature behave similarly to the experimentally determined AFM transition temperature with variation in cationic radius. We found that the t-e hybridization is anisotropic, causing a magnetic anisotropy of Cr3+ sublattices. This was evaluated with the nearest-neighbor J1-J2 model. Our research provides a picture of the electronic structures during the t-e hybridization process while changing RE ions and sheds light on the nature of the weak ferromagnetism coexisting with predominated antiferromagnetism. The available large RECrO3 single crystals build a platform for further studies of orthochromates.
