Electronic and topological properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si43.svg"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Sn</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>-</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si44.svg"><mml:mrow><mml:msub><mml:mrow><mml:mtext>In</mml:mtext></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>Te

Schmidt, T. M.; Srivastava, G. P.

doi:10.1016/j.commatsci.2020.109777

Cited by 7 publications

(9 citation statements)

References 37 publications

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“…Similar methodology has been used before, where the alloy compounds and their corresponding supercells are described in detail. [50] The fcc BZ has a mirror symmetry plane containing the zone centre Γ point and two of the L points where band inversion occurs for SnTe. [24,25] The band inversion, characteristic of a topological nontrivial phase, is always preserved at the L point in Sn 1Àx In x Te for low and high values of In x compound.…”

Section: Doi: 101002/pssr202000362mentioning

confidence: 99%

“…[24,25] The band inversion, characteristic of a topological nontrivial phase, is always preserved at the L point in Sn 1Àx In x Te for low and high values of In x compound. [50] One of the effects of incorporating In in SnTe is to reduce the lattice parameter, mimicking application of pressure, which has been shown to maintain its topological nontrivial phase. [51] However, incorporation of In in SnTe introduces an In-like state, which is decoupled from the top of valence band for certain x values, resulting in an odd number of inverted bands at the L point, which is a diagnostic of Weyl physics.…”

Section: Doi: 101002/pssr202000362mentioning

confidence: 99%

“…Similar methodology has been used before, where the alloy compounds and their corresponding supercells are described in detail. [ 50 ]…”

Section: Figurementioning

confidence: 99%

“…We note that for

x \geq 0.25

the conduction and valence bands touch each other at the Γ point also. [ 50 ] However as In is a trivalent ion, this fourfold degenerated state will be occupied by three electrons. These odd number of electrons will induce a Jahn–Teller distortion and the degenerated Γ point will split, reducing the space group symmetry spontaneously to

C_{2 v}

, without passing to the DSM phase.…”

Section: Figurementioning

confidence: 99%

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Dirac and Weyl Semimetals in Sn_1−xIn_xTe

Schmidt

Srivastava

2020

Physica Rapid Research Ltrs

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The recent realization of Weyl fermions in materials [1-10] has received a great deal of attention due to their connection with particle physics, in addition to the promise for technological applications. [11-13] These fermions belong to the topological semimetal class of materials, with accidental degeneracy states around the Fermi level that are protected by topology and symmetry. The protected Weyl fermions present a nonvanishing Chern number around each chiral node. The degenerated chiral points are located in the bulk band structure, connected with surface Fermi arcs. [3-9] There are some conditions to realize Weyl semimetal (WSM) in an inverted bandgap 3D material: the valence and conduction bands must touch each other at the some point of the bulk Brillouin zone (BZ), and a lack of either time reversal or inversion symmetry must occur. With that, the crossing point is symmetry-preserved and pairs of Weyl nodes with opposite chirality are realized. If time reversal and inversion symmetry are preserved in an inverted gap system, the Weyl nodes annihilate, resulting in a Dirac semimetal (DSM) phase. [14-21] In this case the net Chern number is zero; the Dirac crossing is fourfold degenerated and it is not topologically protected, [10] but crystal symmetry can protect the degeneracies if the semimetal character comes from a topological insulator bulk gap closure. Recently, it has been predicted that distinct semimetal topological phases can be obtained by defect engineering with impurities [22] in topological crystalline insulator (TCI) materials. This novel topological class has attracted attention lately [23-29] because their topological sates are protected by crystal symmetry, distinct from Z 2 topological insulators that are protected by time reversal symmetry. Pressure also has been shown to induce topological semimetal phase in TCIs. [30]

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Section: Doi: 101002/pssr202000362mentioning

confidence: 99%

Section: Doi: 101002/pssr202000362mentioning

confidence: 99%

“…Similar methodology has been used before, where the alloy compounds and their corresponding supercells are described in detail. [ 50 ]…”

Section: Figurementioning

confidence: 99%

“…We note that for

x \geq 0.25

C_{2 v}

, without passing to the DSM phase.…”

Section: Figurementioning

confidence: 99%

See 2 more Smart Citations

Dirac and Weyl Semimetals in Sn_1−xIn_xTe

Schmidt

Srivastava

2020

Physica Rapid Research Ltrs

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“…The effects of doping on the electronic structure of bulk SnTe have been addressed in [15,16]. As for the [001] surface, In doping [17] and diluted impurities [18] have been considered. Impurities in TCI thin films may open a gap or modify the surface states, allowing for the control of topological phase transitions in these materials and constituting an additional tool to modulate their properties [19,20].…”

Section: Introductionmentioning

confidence: 99%

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe

Arroyo-Gascón,

Baba,

Cerdá

et al. 2021

Preprint

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We investigate the effect of a non-magnetic donor impurity located at the surface of the SnTe topological crystalline insulator. Both, semi-infinite and slab geometries are considered. We analyze the changes on the surface states due to the impurity by means of ab-initio simulations of the electronic structure of pristine and impurity-doped SnTe. Furthermore, both minimal and Green's function continuum models are proposed in order to describe the effect of the impurity on the surface states. We find that the Dirac cones are shifted down in energy upon doping; this shift depends on the position of the impurity with respect to the surface. We compare slab and semi-infinite geometries within the ab-initio approach, demonstrating that the surface states are gapless in the doped semi-infinite system. The gap opens in the slab geometry due to hybridization of the states at opposite surfaces. Finally, by means of a continuum model, we extrapolate our results to arbitrary positions of the impurity, clearly showing a non-monotonic behavior of the Dirac cone.

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