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arXiv 2108.00173cond-mat.str-el
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高压下层状CrI3单晶的奇异磁电性质

Exotic Magnetic and Electronic Properties of Layered CrI3 Single Crystals Under High Pressure

Anirudha Ghosh, D. Singh, Qingge Mu, Y. Kvashnin, G. Haider, M. Jonak, D. Chareev, T. Aramaki, S. A. Medvedev, R. Klingeler, M. Mito, E. H. Abdul-Hafidh, J. Vej… 展开作者

Anirudha Ghosh, D. Singh, Qingge Mu, Y. Kvashnin, G. Haider, M. Jonak, D. Chareev, T. Aramaki, S. A. Medvedev, R. Klingeler, M. Mito, E. H. Abdul-Hafidh, J. Vejpravova, M. Kalbac, R. Ahuja, Olle Eriksson, Mahmoud Abdel-Hafiez

摘要:

通过对CrI $_{3}$单晶的先进实验技术,我们推导出了以前没有讨论过的压力-温度相图。结果表明,当压力达到$\sim$ 3,GPa时,$T_{c}$增加到$\sim$ 66,K,当压力达到21.2,GPa时,$\sim$下降到$\sim$ 10,K.实验结果通过基于密度泛函理论的理论计算再现,其中电子-电子相互作用由Cr 3 $d$轨道上的静态原位Hubbard U处理。压力引起有序化温度降低的原因与计算的键角的降低有关,从常压下的95 $^{\circ}$降低到25,GPa下的85 $\sim$.在22 GPa以上,磁有序态基本上被淬灭,可能在低温下将系统驱动到Kitaev自旋液体状态,从而打开了进一步探索自旋之间的远程量子纠缠的可能性。高压电阻率揭示了压力诱导的超导体到金属的相变,高压电阻率伴随着从强铁磁状态到逐渐更占主导地位的反铁磁相互作用的转变,并且与理论建模一致。

英文摘要:

Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a decrease to $\sim$ 10\,K at 21.2\,GPa. The experimental results are reproduced by theoretical calculations based on density functional theory where electron-electron interactions are treated by a static on-site Hubbard U on Cr 3$d$ orbitals. The origin of the pressure induced reduction of the ordering temperature is associated with a decrease of the calculated bond angle, from 95$^{\circ}$ at ambient pressure to $\sim$ 85$^{\circ}$ at 25\,GPa. Above 22\,GPa, the magnetically ordered state is essentially quenched, possibly driving the system to a Kitaev spin-liquid state at low temperature, thereby opening up the possibility of further exploration of long-range quantum entanglement between spins. The pressure-induced semiconductor-to-metal phase transition was revealed by high-pressure resistivity that is accompanied by a transition from a robust ferromagnetic state to gradually more dominating anti-ferromagnetic interactions and was consistent with theoretical modeling.

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