Trigonal distortion and charge transfer properties of zigzag-antiferromagnet metal phosphorus trisulfide MPS₃

Aldrin Chang^1*, Liang-Wei Lan¹, Chia-Nung Kuo², Jau-Wern Chiou³, Ting Chen¹, Yao-Jui Chan⁴, Chih-Heng Huang¹, Tzu-Hung Chuang⁵, Der-Hsin Wei⁵, Chin-Shan Lue², Wai-Fung Pong⁶, Chien-Cheng Kuo¹

¹Department of Physics, National Sun Yat-sen University, Kaohsiung, Taiwan
²Department of Physics, National Cheng Kung University, Tainan, Taiwan
³Department of Applied Physics, National University Kaohsiung, Kaohsiung, Taiwan
⁴Institute of Physics, Academia Sinica, Taipei, Taiwan
⁵National Synchrotron Radiation Research Center, Hsinchu, Taiwan
⁶Department of Physics, Tamkang University, New Taipei City, Taiwan

* Presenter:Aldrin Chang, email:phyaldrin@gmail.com

Trigonal distortion in FePS₃ was probed using x-ray absorption spectroscopy and x-ray linear dichroism. This symmetry-lowering as manifested in the polarization-dependent x-ray absorption determined the energy splitting to be around 0.35 eV with e_g^π as the ground state. Localized and delocalized dipole-forbidden electronic excitations were observed in NiPS₃ using resonant inelastic x-ray scattering providing evidence on charge transfer and dd excitations. Established agreement between experiment and theory justified that NiPS₃ is a negative charge-transfer insulator. These exotic properties of zigzag-antiferromagnets will prove to be crucial for its potential device and spintronic applications.

Keywords: trigonal distortion, charge transfer, x-ray absorption spectroscopy, resonant inelastic x-ray scattering