Doping effects of Se vacancies in monolayer FeSe

Berlijn, Tom; Cheng, Hai‐Ping; Hirschfeld, P. J.; Ku, Wei

doi:10.1103/physrevb.89.020501

Cited by 48 publications

(42 citation statements)

References 50 publications

(39 reference statements)

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“…Many efforts have also been devoted from a theoretical standpoint. [22][23][24][25][26][27][28][29][30] In our previous calculations, 22 the similar electronic structures of monolayer and bilayer FeSe on undoped SrTiO 3 suggested that the superconductivity would occur at the first layer of FeSe epitaxial film or at the interface. Xiang et al studied the influence of the screening effect of a ferroelectric phonon of the substrate on the Cooper pairs in the FeSe layer.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of magnetic frustration in FeSe epitaxial films onSrTiO3

Liu

Zhang²,

Lu³

2015

Phys. Rev. B

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The effects of electron doping and phonon vibrations on the magnetic properties of monolayer and bilayer FeSe epitaxial films on SrTiO3 have been studied, respectively, using first-principles calculations with van der Waals correction. For monolayer FeSe epitaxial film, the combined effect of electron doping and phonon vibrations readily leads to magnetic frustration between the collinear antiferromagnetic state and the checkerboard antiferromagnetic Néel state. For bilayer FeSe epitaxial film, such magnetic frustration is much more easily induced by electron doping in its bottom layer than its top layer. The underlying physics is that the doped electrons are accumulated at the interface between the FeSe layers and the substrate. These results are consistent with existing experimental studies.

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Section: Introductionmentioning

confidence: 99%

First-principles study of magnetic frustration in FeSe epitaxial films onSrTiO3

Liu

Zhang²,

Lu³

2015

Phys. Rev. B

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“…On the other hand, Zheng et al predicted a considerable charge transfer from surface O atoms of STO substrate to Fe atoms of FeSe monolayer [14]. Another recent theoretical paper excluded the Se vacancy in FeSe as the source of electron doping for superconductivity [15], which further indicates that the oxygen vacancy on the STO substrate should play indispensable role in the Fe-HTS. For these reasons, it is necessary to further investigate how the STO substrate and the oxygen vacancies there influence the magnetic order in the monolayer FeSe.…”

Section: Introductionmentioning

confidence: 99%

Interfacial effects on the spin density wave in FeSe/SrTiO3thin films

et al. 2014

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Recently, the signs of both superconducting transition temperature (T c ) beyond 60 K and spin density wave (SDW) have been observed in FeSe thin film on SrTiO 3 (STO) substrate, which suggests a strong interplay between superconductivity and magnetism. With the first-principles calculations, we find that the substrate-induced tensile strain tends to stabilize the SDW state in FeSe thin film by enhancing of the next-nearest-neighbor superexchange antiferromagnetic interaction bridged through Se atoms. On the other hand, we find that when there are oxygen vacancies in the substrate, the significant charge transfer from the substrate to the first FeSe layer would suppress the magnetic order there, and thus the high-temperature superconductivity could occur.In addition, the stability of the SDW is lowered when FeSe is on a defect-free STO substrate due to the redistribution of charges among the Fe 3d-orbitals. Our results provide a comprehensive microscopic explanation for the recent experimental findings, and build a foundation for the further exploration of the superconductivity and magnetism in this novel superconducting interface.

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“…We found that only the band structure in the chequerboard AFM configuration with spin along the z direction can give a good agreement. Next, focusing on the chequerboard AFM state of FeSe/STO, we have extended previous theoretical studies [11][12][13][14][15] to include the spin-orbital coupling (SOC) effect. We found that not only a gap is opened by SOC ( Supplementary Fig.…”

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confidence: 97%

Topological edge states in a high-temperature superconductor FeSe/SrTiO3(001) film

Wang,

Zhang,

Liu

et al. 2016

Nature Mater

164

155

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Superconducting and topological states are two most intriguing quantum phenomena in solid materials. The entanglement of these two states, the topological superconducting state, will give rise to even more exotic quantum phenomena. While many materials are found to be either a superconductor or a topological insulator, it is very rare that both states exist in one material. Here, we demonstrate by first-principles theory as well as scanning tunnelling spectroscopy and angle-resolved photoemission spectroscopy experiments that the recently discovered 'two-dimensional (2D) superconductor' of single-layer FeSe also exhibits 1D topological edge states within an energy gap of ∼40 meV at the M point below the Fermi level. It is the first 2D material that supports both superconducting and topological states, offering an exciting opportunity to study 2D topological superconductors through the proximity effect.

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Doping effects of Se vacancies in monolayer FeSe

Cited by 48 publications

References 50 publications

First-principles study of magnetic frustration in FeSe epitaxial films onSrTiO3

First-principles study of magnetic frustration in FeSe epitaxial films onSrTiO3

Interfacial effects on the spin density wave in FeSe/SrTiO3thin films

Topological edge states in a high-temperature superconductor FeSe/SrTiO3(001) film

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