التفاصيل البيبلوغرافية
| العنوان: |
Flatbands in frustrated lattice X3MnN3 (X = Ca, Sr, Ba): A first-principles study. |
| المؤلفون: |
Ye, Jiefeng, Guo, Wen-Ti, Yang, Ningjing, Zhang, Jian-Min |
| المصدر: |
Journal of Applied Physics; 7/28/2023, Vol. 134 Issue 4, p1-8, 8p |
| مصطلحات موضوعية: |
FERMI level, ALKALINE earth metals, TWO-dimensional models, BANDWIDTHS |
| مستخلص: |
Frustrated lattices with dispersionless band structures and fully localized states are an exciting platform for exploring many-body physics. In this work, we identify X 3 MnN 3 (X = Ca, Sr, Ba) as a frustrated lattice and investigate its physical properties in the ferromagnetic (FM) and antiferromagnetic (AFM) states based on first-principles calculations. Our results show that all three materials in FM and A-type AFM configurations have flatbands with band touching in the k z ∼ 0 and k z ∼ π planes with bandwidths less than 0.2 eV. Intriguingly, the flatband is tuned to the Fermi level when X 3 MnN 3 is transformed into the FM state. Furthermore, we find the two-dimensional dice model hidden in X 3 MnN 3 by treating the coupled Mn and N atoms as a basic site, revealing that the compact localized state is generated by destructive interferences between the hopping amplitudes, and the dice models stack the system staggered along the c -axis. Our work provides new candidate materials for exploring strong correlation physics and reveals the mechanism of their localized state. [ABSTRACT FROM AUTHOR] |
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