Dirac-cone-type topological surface states in LaNa2Fe4As4: A novel intergrowth structure of iron-based superconductors
Guangwei Wang, Pengyu Zheng, Bing Chen, Yandong Peng, Peng Wang, Da Chen, Zhiping Yin
DOI 10.1103/4srw-xk2k · Physical Review Materials
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Abstract
The coexistence of unconventional high-temperature superconductivity, topological surface states, and strong electronic correlations makes iron-based superconductors a prominent platform for exploring topological superconductivity and Majorana zero modes. Here, we design a novel intergrowth-structured compound, LaNa2Fe4As4 (1244-type), by combining uncollapsed tetragonal LaFe2As2 and NaFeAs. This unique intergrowth structure provides a new route to engineer topological states in iron-based superconductors. Using density functional theory combined with dynamical mean-field theory calculations, we reveal nontrivial band topologies near the Fermi level (EF) in LaNa2Fe4As4, hosting both topological insulator (TI) and topological Dirac semimetal states, and giving rise to two sets of Dirac-cone-type surface states on the (001) surface. Strong electronic correlations renormalize the band structure, bringing the topological surface states closer to EF. Moreover, slight electron doping at the Fe sites can further tune the TI surface states to EF, enhancing their experimental accessibility. The intrinsic self-doping and multiband Fermi surface of LaNa2Fe4As4 also suggest potential superconductivity. These findings establish LaNa2Fe4As4 as a promising candidate for studying topological superconductivity and Majorana zero modes, calling for experimental validation and further exploration of its potential in quantum applications. They also underscore the effectiveness of the intergrowth strategy in optimizing the topological properties of iron-based superconductors.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LaFe2As2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 12.1 | Pressure not reported | unknown |
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