Topological states modulation of Bi and Sb thin films by atomic adsorption

Wang, Dongchao; Chen, Li; Li, Hongmei; Wang, Xiaoli; Cui, Guangliang; Zhang, Pinhua; Zhao, Dapeng; Ji, Shuai‐Hua

doi:10.1039/c4cp04502e

Cited by 18 publications

(18 citation statements)

References 31 publications

(33 reference statements)

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“…However, the origin of nontrivial topology in halogenated arsenene results from the massive Dirac point and there is no band inversion, where the mechanism is similar to that in functionlized Bi/Sb films12131447. Around Fermi level, there are massive Dirac cones at the K point and nearly flat bands (the second band below the Fermi level) in the band structures of halogenated arsenene.…”

Section: Resultsmentioning

confidence: 95%

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Wang

Chen

Shi

et al. 2016

Sci Rep

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Based on first-principles calculations, the electronic and topological properties of halogenated (F-, Cl-, Br- and I-) arsenene are investigated in detail. It is found that the halogenated arsenene sheets show Dirac type characteristic in the absence of spin-orbital coupling (SOC), whereas energy gap will be induced by SOC with the values ranging from 0.194 eV for F-arsenene to 0.255 eV for I-arsenene. Noticeably, these four newly proposed two-dimensional (2D) systems are verified to be quantum spin Hall (QSH) insulators by calculating the edge states with obvious linear cross inside bulk energy gap. It should be pointed out that the large energy gap in these 2D materials consisted of commonly used element is quite promising for practical applications of QSH insulators at room temperature.

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Section: Resultsmentioning

confidence: 95%

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Wang

Chen

Shi

et al. 2016

Sci Rep

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“…Compared with pure arsenene, the p z orbital components are removed from the low-energy spectrum in the decorated arsenene with dangling bonds saturated. The role of SOC in AsCH 3 and AsOH films is to open up energy gap at the K point as in the case of surface decorated Bi and Sb [39,41], suggesting that the AsCH 3 and AsOH films may be 2D TIs.…”

Section: Resultsmentioning

confidence: 97%

“…Hence effective and feasible method should be proposed for arsenene. Many reports have shown that chemical decoration is helpful to modulate the structural, electronic and topological properties of 2D materials, such as chemically modified germanene [38], stanene [22], and Bi film [39][40][41][42]. It has been recently shown to be also effective in arsenene to induce nontrivial phase with full hydrogenation and halogenation [32].…”

Section: Resultsmentioning

confidence: 99%

Robust large-gap quantum spin Hall insulators in chemically decorated arsenene films

et al. 2016

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Based on first-principles calculations, we propose one new category of two-dimensional topological insulators (2D TIs) in chemically functionalized (-CH 3 and -OH) arsenene films. The results show that the surface decorated arsenene (AsCH 3 and AsOH) films are intrinsic 2D TIs with sizeable bulk gap. The bulk energy gaps are 0.184 eV, and 0.304 eV in AsCH 3 and AsOH films, respectively. Such large bulk gaps make them suitable to realize quantum spin Hall effect in an experimentally accessible temperature regime. Topologically helical edge states in these systems are desirable for dissipationless transport. Moreover, we find that the topological properties in these systems are robust against mechanical deformation by exerting biaxial strain. These novel 2D TIs with large bulk gaps are potential candidate in future electronic devices with ultralow dissipation.

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“…The electronic band at the surface differs from that in the bulk mostly by a pronounced narrowing of the Fe-derived bands resulting from the reduced coordination of the Fe atoms. That does not follow the traditional rule of “the band gap of bulk is smaller than that of film” [40]. The Fe-surface moment is 3.99 (4.00) μ B in 1 × 1 × 1 (1 ×1 × 3) thin film.…”

Section: Resultsmentioning

confidence: 97%

Strain Effect on Electronic Structure and Work Function in α-Fe2O3 Films

Chen

Shi

et al. 2017

Materials

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We investigate the electronic structure and work function modulation of α-Fe2O3 films by strain based on the density functional method. We find that the band gap of clean α-Fe2O3 films is a function of the strain and is influenced significantly by the element termination on the surface. The px and py orbitals keep close to Fermi level and account for a pronounced narrowing band gap under compressive strain, while unoccupied dz2 orbitals from conduction band minimum draw nearer to Fermi level and are responsible for the pronounced narrowing band gap under tensile strain. The spin polarized surface state, arising from localized dangling-bond states, is insensitive to strain, while the bulk band, especially for pz orbital, arising from extended Bloch states, is very sensitive to strain, which plays an important role for work function decreasing (increasing) under compressive (tensile) strain in Fe termination films. In particular, the work function in O terminated films is insensitive to strain because pz orbitals are less sensitive to strain than that of Fe termination films. Our findings confirm that the strain is an effective means to manipulate electronic structures and corrosion potential.

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Topological states modulation of Bi and Sb thin films by atomic adsorption

Cited by 18 publications

References 31 publications

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Robust large-gap quantum spin Hall insulators in chemically decorated arsenene films

Strain Effect on Electronic Structure and Work Function in α-Fe2O3 Films

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