2020
DOI: 10.1103/physrevb.102.180401
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Strong tuning of magnetism and electronic structure by spin orientation

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Cited by 9 publications
(9 citation statements)
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“…Previously, some of A 2 M Cl 6 (e.g., A 2 TaCl 6 , K 2 NbCl 6 ) were claimed to host the J eff = 3/2 state [19,20], while Rb 2 NbCl 6 was found to be close to the S = 1/2 state [20]. These puzzling contradictions can be well answered in our DFT calculations [28], as summarized in Figs.…”
Section: B Materialssupporting
confidence: 51%
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“…Previously, some of A 2 M Cl 6 (e.g., A 2 TaCl 6 , K 2 NbCl 6 ) were claimed to host the J eff = 3/2 state [19,20], while Rb 2 NbCl 6 was found to be close to the S = 1/2 state [20]. These puzzling contradictions can be well answered in our DFT calculations [28], as summarized in Figs.…”
Section: B Materialssupporting
confidence: 51%
“…For the positive Q 3 case (ω > 0), the occupied state is always Φ 1 or Φ 2 , which will be split by Hubbard repulsion. The most interesting physical property of Φ 1 (or Φ 2 ) is that its spin magnetic moment (1 µ B ) just cancels the orbital magnetic moment (−1 µ B ), leading to a zero net magnetization [19]. In the opposite direction, i.e., ω < 0, Φ 3 (or Φ 4 ) becomes the low-lying level.…”
Section: A Atomic Orbital Modelmentioning
confidence: 99%
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