Do electron distributions with orbital degree of freedom exhibit anisotropy?

Taishun Manjo; Shunsuke Kitou; Naoyuki Katayama; Shin Nakamura; Takuro Katsufuji; Yoichi Nii; Taka Hisa Arima; Joji Nasu; Takumi Hasegawa; Kunihisa Sugimoto; Daisuke Ishikawa; Alfred Q.R. Baron; Hiroshi Sawa

doi:10.1039/d1ma01113h

Do electron distributions with orbital degree of freedom exhibit anisotropy?

Taishun Manjo, Shunsuke Kitou, Naoyuki Katayama, Shin Nakamura, Takuro Katsufuji, Yoichi Nii, Taka Hisa Arima, Joji Nasu, Takumi Hasegawa, Kunihisa Sugimoto, Daisuke Ishikawa, Alfred Q.R. Baron, Hiroshi Sawa

Research output: Contribution to journal › Article › peer-review

Abstract

Orbital degrees of freedom appear in partially filled degenerate orbitals and are responsible for a variety of physical properties. Although many methods for directly observing orbital states in ordered states have been proposed, it is difficult to determine degenerate orbital states directly. We found that high-precision diffraction data obtained by synchrotron radiation X-rays can be used to observe only the valence electron density distribution with minimal analytical bias. The results obtained using this method clearly showed the anisotropy of the partially filled degenerate 3d orbital states in spinel vanadium oxide FeV₂O₄. The 3d orbital quantum state was successfully determined from this anisotropy.

Original language	English
Pages (from-to)	3192-3198
Number of pages	7
Journal	Materials Advances
Volume	3
Issue number	7
DOIs	https://doi.org/10.1039/d1ma01113h
Publication status	Published - 2022 Feb 24

ASJC Scopus subject areas

Chemistry (miscellaneous)
Materials Science(all)

Access to Document

10.1039/d1ma01113h

Cite this

@article{dc7e9b09e134470393f6545491c64f1c,

title = "Do electron distributions with orbital degree of freedom exhibit anisotropy?",

abstract = "Orbital degrees of freedom appear in partially filled degenerate orbitals and are responsible for a variety of physical properties. Although many methods for directly observing orbital states in ordered states have been proposed, it is difficult to determine degenerate orbital states directly. We found that high-precision diffraction data obtained by synchrotron radiation X-rays can be used to observe only the valence electron density distribution with minimal analytical bias. The results obtained using this method clearly showed the anisotropy of the partially filled degenerate 3d orbital states in spinel vanadium oxide FeV2O4. The 3d orbital quantum state was successfully determined from this anisotropy.",

author = "Taishun Manjo and Shunsuke Kitou and Naoyuki Katayama and Shin Nakamura and Takuro Katsufuji and Yoichi Nii and Arima, {Taka Hisa} and Joji Nasu and Takumi Hasegawa and Kunihisa Sugimoto and Daisuke Ishikawa and Baron, {Alfred Q.R.} and Hiroshi Sawa",

note = "Funding Information: We thank K. Kojima, T. Hara, and Y. Hosogi for supporting the IXS experiments, Y. Wakabayashi, H. Fukui, and K. Siratori, for their fruitful discussions. The synchrotron radiation experiments were performed at SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2019A0070–2021A0070/BL02B1, 2020A0835/BL43LXU, and 2021A1575/BL43LXU). The work leading to these results has received funding from Yamada Science Foundation. Publisher Copyright: {\textcopyright} 2022 RSC",

year = "2022",

month = feb,

day = "24",

doi = "10.1039/d1ma01113h",

language = "English",

volume = "3",

pages = "3192--3198",

journal = "Materials Advances",

issn = "2633-5409",