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First-principles phase diagram of an interacting ionic chain

Autor: Kidd, Jamin, Zhang, Ruiqi, Jian, Shao-Kai, Sun, Jianwei

The widely-used Kohn-Sham implementation of density functional theory (DFT) maps a system of interacting electrons onto an auxiliary non-interacting one and is presumably inaccurate for strongly correlated materials. We present a concrete benchmark f

Externí odkaz: http://arxiv.org/abs/2402.04218

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Emergence of competing electronic states from non-integer nuclear charges

Autor: Furness, James W., Zhang, Ruiqi, Kidd, Jamin, Sun, Jianwei

Understanding many-electron phenomena with competing near-degenerate electronic states is of fundamental importance to chemistry and condensed matter physics. One of the most significant challenges for exploring such many-electron phenomena is the ne

Externí odkaz: http://arxiv.org/abs/2303.02264

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High-throughput screening assisted discovery of a stable layered anti-ferromagnetic semiconductor: CdFeP2Se6

Autor: Kothakonda, Manish, Zhu, Yanglin, Guan, Yingdong, He, Jingyang, Kidd, Jamin, Zhang, Ruiqi, Ning, Jinliang, Gopalan, Venkatraman, Xie, Weiwei, Mao, Zhiqiang, Sun, Jianwei

Publikováno v: Adv. Funct. Mater. 2023, 2210965

Recent advances in two-dimensional (2D) magnetism have heightened interest in layered magnetic materials due to their potential for spintronics. In particular, layered semiconducting antiferromagnets exhibit intriguing low-dimensional semiconducting

Externí odkaz: http://arxiv.org/abs/2212.06289

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Critical role of magnetic moments in heavy-fermion materials: revisiting mysteries of SmB$_{6}$

Autor: Zhang, Ruiqi, Singh, Bahadur, Lane, Christopher, Kidd, Jamin, Zhang, Yubo, Barbiellini, Bernardo, Markiewicz, Robert S., Bansil, Arun, Sun, Jianwei

Heavy-fermion family exhibits fascinating and often puzzling properties due to the presence of open-shell $f$ ions and the complexity of the associated charge, orbital, and spin degrees of freedom. SmB$_6 $ is a prototypical heavy-fermion compound th

Externí odkaz: http://arxiv.org/abs/2003.11052

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Subtle metastability of the layered magnetic topological insulator MnBi2Te4 from weak interactions

Autor: Ning, Jinliang, Zhu, Yanglin, Kidd, Jamin, Guan, Yingdong, Wang, Yu, Mao, Zhiqiang, Sun, Jianwei

The metastable layered compound MnBi2Te4 is the first experimentally realized intrinsic antiferromagnetic topological insulator, predicted to host the quantum anomalous Hall effect at high temperatures upon exfoliation to atomically thin layers. Whil

Externí odkaz: http://arxiv.org/abs/1912.01173

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