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| 001 | 276651 | ||
| 005 | 20210129220925.0 | ||
| 024 | 7 | _ | |2 doi |a 10.1103/PhysRevX.5.041004 |
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| 082 | _ | _ | |a 530 |
| 100 | 1 | _ | |0 P:(DE-HGF)0 |a Bhobe, P. A. |b 0 |
| 245 | _ | _ | |a Electronic Structure Evolution across the Peierls Metal-Insulator Transition in a Correlated Ferromagnet |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2015 |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1449124830_15369 |2 PUB:(DE-HGF) |
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| 520 | _ | _ | |a Transition metal compounds often undergo spin-charge-orbital ordering due to strong electron-electron correlations. In contrast, low-dimensional materials can exhibit a Peierls transition arising from low-energy electron-phonon-coupling-induced structural instabilities. We study the electronic structure of the tunnel framework compound K2Cr8O16, which exhibits a temperature-dependent (T-dependent) paramagnetic-to-ferromagnetic-metal transition at TC=180 K and transforms into a ferromagnetic insulator below TMI=95 K. We observe clear T-dependent dynamic valence (charge) fluctuations from above TC to TMI, which effectively get pinned to an average nominal valence of Cr+3.75 (Cr4+∶Cr3+ states in a 3∶1 ratio) in the ferromagnetic-insulating phase. High-resolution laser photoemission shows a T-dependent BCS-type energy gap, with 2G(0)∼3.5(kBTMI)∼35 meV. First-principles band-structure calculations, using the experimentally estimated on-site Coulomb energy of U∼4 eV, establish the necessity of strong correlations and finite structural distortions for driving the metal-insulator transition. In spite of the strong correlations, the nonintegral occupancy (2.25 d−electrons/Cr) and the half-metallic ferromagnetism in the t2g up-spin band favor a low-energy Peierls metal-insulator transition. |
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| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Kumar, A. |b 1 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Taguchi, M. |b 2 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Eguchi, R. |b 3 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Matsunami, M. |b 4 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Takata, Y. |b 5 |
| 700 | 1 | _ | |0 P:(DE-Juel1)157778 |a Nandy, Ashis Kumar |b 6 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Mahadevan, P. |b 7 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Sarma, D. D. |b 8 |
| 700 | 1 | _ | |0 P:(DE-Juel1)145527 |a Neroni, A. |b 9 |
| 700 | 1 | _ | |0 P:(DE-Juel1)130937 |a Şaşıoğlu, E. |b 10 |
| 700 | 1 | _ | |0 P:(DE-Juel1)130799 |a Ležaić, M. |b 11 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Oura, M. |b 12 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Senba, Y. |b 13 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Ohashi, H. |b 14 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Ishizaka, K. |b 15 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Okawa, M. |b 16 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Shin, S. |b 17 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Tamasaku, K. |b 18 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Kohmura, Y. |b 19 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Yabashi, M. |b 20 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Ishikawa, T. |b 21 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Hasegawa, K. |b 22 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Isobe, M. |b 23 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Ueda, Y. |b 24 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Chainani, A. |b 25 |e Corresponding author |
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