Realizing multiorbital Hubbard model with commensurate fillings in the paramagnetic phase of triangular magnets Na2BaX(PO4)2 (X = Mn, Co, Ni)

doi:10.1209/0295-5075/ad8184

	Realizing multiorbital Hubbard model with commensurate fillings in the paramagnetic phase of triangular magnets Na₂BaX(PO₄)₂ (X = Mn, Co, Ni)
	Hu C(胡聪)1 ; Zhang XF(张雪峰)1 ; Li G(李刚)1,2
	2024-10-01
发表期刊	EPL (IF:1.8[JCR-2023],1.6[5-Year])
ISSN	0295-5075
EISSN	1286-4854
卷号	148 期号:2
DOI	10.1209/0295-5075/ad8184
摘要	- The multiorbital Hubbard model is renowned for its rich phase diagram, characterized by various filling-dependent Mott transitions. However, controlling electron filling to explore the complete phase diagram within a single material remains challenging. In this study, we investigate three members of a correlated magnet family: Na2BaX(PO4)2 (where X = Mn, Co, Ni). Our focus is on revealing their unusual electronic structure related to the different electron fillings. Despite differences in their effective angular momentum, our first-principles calculations reveal a strikingly similar flat-band electronic structure across all three systems. Remarkably, we found that their distinct valence configurations lead to a similar response to electronic correlations in the high-temperature paramagnetic phases, which nicely realizes Mott states with different electron concentrations. Thus, these systems can be conceptualized as multiorbital Hubbard models with differing electron fillings. Our work unifies the understanding of these structurally similar systems and opens new avenues for exploring correlated electronic structures with distinct fillings.
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收录类别	SCI ; SCIE
语种	英语
资助项目	Shanghai 2021-Fundamental Research Area[21JC1404700] ; National Key RAMP;D Program of China[2022YFA1402703] ; National Natural Science Foundation of China["11874263","92365204"] ; Sino-German Mobility program[M-0006] ; Postdoctoral Special Funds for Theoretical Physics of the National Natural Science Foundation of China[12147124]
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:001368074100001
出版者	IOP Publishing Ltd
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/436514
专题	物质科学与技术学院_PI研究组_李刚组物质科学与技术学院_博士生
通讯作者	Li G(李刚)
作者单位	1.上海科技大学物质科学与技术学院 2.上海科技大学拓扑物理实验室
第一作者单位	物质科学与技术学院
通讯作者单位	物质科学与技术学院; 上海科技大学
第一作者的第一单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Hu C,Zhang XF,Li G. Realizing multiorbital Hubbard model with commensurate fillings in the paramagnetic phase of triangular magnets Na₂BaX(PO₄)₂ (X = Mn, Co, Ni)[J]. EPL,2024,148(2).
APA	Hu C,Zhang XF,&Li G.(2024).Realizing multiorbital Hubbard model with commensurate fillings in the paramagnetic phase of triangular magnets Na₂BaX(PO₄)₂ (X = Mn, Co, Ni).EPL,148(2).
MLA	Hu C,et al."Realizing multiorbital Hubbard model with commensurate fillings in the paramagnetic phase of triangular magnets Na₂BaX(PO₄)₂ (X = Mn, Co, Ni)".EPL 148.2(2024).