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Topological Insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a Single Dirac Cone on the Surface

Nature Physics, 2009 · paper · Materials

Uses first-principles calculations on Sb2Te3, Sb2Se3, Bi2Te3 and Bi2Se3. It predicts the first, third and fourth are topological insulators, with a single Dirac cone on the surface. Bi2Se3 has a 0.3 eV gap, suitable for room-temperature use.

Checked: PDF from arxiv.org, fetched 4 Oct 2026. Page numbers are those of that PDF.

9 findings

Substance P.3: "Sb2Te3 and Bi2Te3 are qualitatively the same as Bi2Se3, while the SOC of Sb2Te3 is not strong enough to induce such an inversion". The second compound should evidently be Sb2Se3.
  • p. 3 right column, end of band-inversion paragraph
    while the SOC of Sb2T e3 is not strong enough to induce such an inversion
  • p. 3 left column, parity analysis
    Sb2T e3 and Bi2T e3 are also strong topological insulators, and Sb2Se3 is a trivial insulator
  • p. 3
    the SOC of Sb2T e3 is not strong enough to induce such an inversion.
  • p. 3 right column, end of band-sequence paragraph (just before 'Topological surface states')
    while the SOC of Sb2T e3 is

Judge's note: On the page 3 image (crop C009-a) the second compound reads Sb2Te3. The same sentence places Sb2Te3 among the inverted materials. Three other places give the trivial material as Sb2Se3: the abstract and introduction ('Sb2Te3, Bi2Te3 and Bi2Se3 are topological insulators while Sb2Se3 is not'), the parity analysis on p.3, and Fig. 2(d) on p.2, where the parity product is (+) for Sb2Se3 and (−) for the other three. So the clause names the wrong compound.

Second check: another model agreed

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Reference or label Wrong panel pointer, three times on p.2: "(denoted as Se1 and Se1′ in Fig. 1b)", "(denoted as Bi1 and Bi1′ in Fig. 1b)", "(denoted as Se2 in Fig. 1b)"; the labels Se1, Se1′, Bi1, Bi1′, Se2 are in Fig. 1(c), while Fig. 1(b) is the top view showing only A/B/C sites.
  • p. 2 left column, Band structure and parity analysis
    and Se1′ in Fig. 1b)
  • p. 2 left column
    as Bi1 and Bi1′ in Fig. 1b)
  • p. 2 left column
    noted as Se2 in Fig. 1b)
  • p. 2 Fig. 1 caption
    (b) Top view along the z direction

Judge's note: Looked at Fig. 1 on the p.2 image: panel (b) is the small top-view hexagon with an 'A site / B site / C site' legend and no atom names; panel (c) (side view) carries Se1′, Se1, Bi1, Se2, Bi1′, Se1′, Se1. Panel (a) has only an unprimed Bi/Se1/Se2 legend. The caption agrees with the figure lettering ('(b) Top view along the z direction ... (c) Side view of the quintuple layer structure'), so the text pointers are wrong and should read Fig. 1c.

Second check: another model agreed

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Reference or label Undefined state labels: "the order of the bands |T1z+,↑(↓)⟩ and |T2z−,↑(↓)⟩ are inverted around k = 0" — these are the states called |P1z+,↑(↓)⟩ and |P2z−,↑(↓)⟩ everywhere else.
  • p. 4 right column, after the fitted parameters
    |T 1+ z , ↑(↓)⟩and |T 2− z , ↑(↓)⟩
  • p. 4 paragraph after Eq. (1)
    the order of the bands |T 1+ z , ↑(↓)⟩and |T 2− z , ↑(↓)⟩

Judge's note: The p.4 crop shows 'T1' and 'T2' printed in this one sentence. The basis of Eq. (1) on the same page, the text on p.3 and Fig. 3 all use P1z+ and P2z−; T is used in the paper only for time-reversal symmetry and no T1/T2 states are defined.

Second check: another model agreed

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Reference or label After Eq. (2) the surface state is said to be "a superposition of the |P1z+,↑(↓)⟩ and |P2z+,↑(↓)⟩"; the second state should be |P2z−,↑(↓)⟩, as in the model's basis.
  • p. 4 right column, text after Eq. (2)
    state wavefunction |k, ↑(↓)⟩is a superposition of the
  • p. 4 left column, Low energy effective model
    Starting from four low lying states

Judge's note: Page 4 image, right column below Eq. (2): the superscript on P2 is clearly '+'. The same page defines the four low-lying states as |P1z+,↑(↓)⟩ and |P2z−,↑(↓)⟩ (left column) and the basis of Eq. (1) as (|P1z+,↑⟩, |P2z−,↑⟩, |P1z+,↓⟩, |P2z−,↓⟩). No |P2z+⟩ state is in the model. Rated S2 rather than S1 because it is a mislabelled state that the surrounding text lets the reader correct; no numerical result is affected.

Second check: another model agreed

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Reference or label "the order of the bands |T1z+,↑(↓)⟩ and |T2z−,↑(↓)⟩ are inverted around k = 0": the states are labelled |P1z+⟩ and |P2z−⟩ everywhere else; T1/T2 are never defined.
  • p. 4 right column, after the fitted parameters
    that the order of the bands
  • p. 4 right column, basis definition
    In the basis of

Judge's note: Page 4 image, right column after the fitted parameters: the letter T is printed in both kets. The basis definition a few lines above and the left column use P1z+ and P2z−. The text search of the article found no definition of T1/T2 states; T is otherwise the time-reversal operator. Evident fix: T -> P.

Second check: another model agreed

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Reference or label Reference 16 prints the author list as "O. Madelung, U. R. & Schulz, M.": the second name is initials only, with no surname.
  • p. 5 reference 16
    O. Madelung, U. R. & Schulz, M.

Only the authors can say what is right here.

Judge's note: Rests on outside knowledge: that the missing surname is Rössler (editors Madelung, Rössler, Schulz), which I cannot check from the files. The malformation itself is visible on the page 5 image: 'U. R.' stands alone as an author, and the entry mixes initials-first and surname-first order, unlike the other references. Looks like a BibTeX name mis-parse. The authors should supply the correct name.

Second check: another model agreed

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Reference or label Reference 17 prints the author list as "S. K. Mishra, S. S. & Jepsen, O.": the second name is initials only, with no surname.
  • p. 5 reference 17
    S. K. Mishra, S. S. & Jepsen, O.

Only the authors can say what is right here.

Judge's note: Rests on outside knowledge: that the missing surname is Satpathy (Mishra, Satpathy and Jepsen, J. Phys.: Condens. Matter 9, 461), which I cannot check from the files. The malformation is visible on the page 5 image: 'S. S.' stands alone as an author and the name order is inconsistent within the entry. Same pattern as ref 16, a separate entry.

Second check: another model agreed

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Wording The Bi-Sb alloy is written "BixSb1−x" twice on p.1 ("the BixSb1−x alloy has been predicted to be a topological insulator for a small range of x"; "Since BixSb1−x is an alloy") but "Bi1−xSbx alloy" on p.5, so x denotes the Bi fraction in one place and the Sb fraction in the other.
  • p. 1 right column
    the BixSb1−x
  • p. 5 right column
    Bi1−xSbx alloy
  • p. 1 right column, introduction
    Based on this analysis, the BixSb1−x
  • p. 1 right column, introduction
    Since BixSb1−x is an alloy

Judge's note: Checked crops of p.1 right column and p.5 right column: both forms are printed as quoted. No definition of x anywhere in the paper reconciles them, and the p.1 statement about 'a small range of x' depends on which element x refers to. The inconsistency is internal to the PDF; the notation should be made uniform (which form is correct for the composition range is for the authors to say).

Second check: another model agreed

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Wording After Eq. (2) the surface state is called "a superposition of the |P1+z,↑(↓)⟩ and |P2+z,↑(↓)⟩", but the model basis is |P1+z⟩ and |P2−z⟩. After Eq. (1) the same states are labelled "|T1+z,↑(↓)⟩ and |T2−z,↑(↓)⟩".
  • p. 4 right column, after Eq. (2)
    |P1+ z , ↑(↓)⟩and |P2+ z , ↑(↓)⟩, respectively
  • p. 4 left column, Low energy effective model
    |P1+ z , ↑(↓)⟩and |P2− z , ↑(↓)⟩at Γ point
  • p. 4 after Eq. 1
    |T 1+
  • p. 4 after Eq. 1
    |T 2−

Judge's note: On the page 4 image (crop C012-a) the superscript on P2 after Eq. (2) is clearly '+'. The effective-model basis on the same page, and the p.3 analysis, use |P2−z⟩, and the band-inversion argument depends on the two states having opposite parity. Crop C012-c shows that after Eq. (1) the states carry the letter 'T' instead of 'P', a label defined nowhere else. Both are notation slips.

Second check: another model agreed

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13 minor (typos and the like; most checked by the judge only)
Typo 'stoimetric' is printed twice on p.1 for 'stoichiometric': "which are stoimetric crystals with well defined electronic" and "we focus on layered, stoimetric crystals".
  • p. 1 right column
    which are stoimetric crystals
  • p. 1 right column
    layered, stoimetric crystals
  • p. 1
    focus on layered, stoimetric crystals Sb2T e3, Sb2Se3,
  • p. 1 right column, introduction
    we focus on layered, stoimetric crystals

Judge's note: I checked crops C002-a and C002-b against page 1, right column. Both instances read 'stoimetric', so this is not an extraction artefact. The other misspellings grouped in this cluster ('Wanneir', 'hoping', 'insualtor') each have their own cluster (C010, C011, C014) and are judged there, so this verdict covers only 'stoimetric'.

Second check: another model agreed

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Typo Number disagreement: "surface or edge states with an odd numbers of gapless Dirac points" should read "an odd number of".
  • p. 1 left column
    an odd numbers of gapless Dirac points
  • p. 1 left column, end of first paragraph
    numbers of gapless Dirac points

Judge's note: Visible on p.1 left column, end of first paragraph. The right column of the same page has the correct 'an odd number of crossings'.

Second check: none (judge only)

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Typo Tense slip: "Topological insulators are defined by θ = π, and this term physically described the topological magneto-electric effect" should read "describes".
  • p. 1 Intro paragraph 2
    this term physically described the topological magneto-electric effect

Judge's note: Visible on p.1 left column. The surrounding sentences are in the present tense ('are defined', 'is described'); the past tense has no referent. Cosmetic.

Second check: none (judge only)

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Typo Inconsistent capitalisation of Fermi: "crossings at the fermi energy" (p.1), "below the fermi level" (p.3), "the fermi velocity" (p.4) against "Fermi level", "Fermi energy", "Fermi velocity" elsewhere; also "first-principle electronic structure calculations" where "first-principles" is usual.
  • p. 1 abstract
    first-principle electronic structure calculations
  • p. 1 intro
    crossings at the fermi energy

Judge's note: Page images confirm both lower-case 'fermi' and capitalised 'Fermi' are used in the same paper (e.g. p.3 'Fermi surface'/'Fermi energy' vs 'fermi level'; p.4 'Fermi velocity' vs 'fermi velocity'). 'first-principle' is a usage point only. Cosmetic consistency issue.

Second check: none (judge only)

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Typo Subject-verb disagreement: "The existence of inversion symmetry enable us to construct eigenstates with definite parity" should read "enables".
  • p. 2 Band structure paragraph
    The existence of inversion symmetry enable us

Judge's note: Visible on p.2 left column, end of the structure paragraph.

Second check: none (judge only)

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Typo Fig. 2 caption lists the materials of panel (d) as "Sb2Te3, Sb2Se3, Bi2Se3 and Bi2Te3", whereas the rows of panel (d) run Sb2Se3, Sb2Te3, Bi2Se3, Bi2Te3 from the top.
  • p. 2 Fig. 2 caption (d)
    Sb2 T e3 , Sb2 Se3 , Bi2 Se3 and Bi2 T e3

Judge's note: On the p.2 image the row labels in Fig. 2(d) read Sb2Se3 (+), Sb2Te3 (−), Bi2Se3 (−), Bi2Te3 (−); the caption swaps the first two. The caption does not say the list follows row order and each row is labelled, so nothing is misattributed. Cosmetic.

Second check: none (judge only)

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Typo P.3 has "the maximally localized Wanneir function(MLWF)"; it should read 'Wannier'.
  • p. 3 right column, Topological surface states
    Wanneir function(MLWF)
  • p. 3
    the maximally localized Wanneir function(MLWF) from the ab initio calculation

Judge's note: The page 3 image (crop C010-a) shows 'Wanneir', so this is a real misspelling, not an extraction artefact.

Second check: another model agreed

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Typo 'hoping' is printed twice for 'hopping': "With these MLWF hoping parameters" (p.3) and "only use the bulk's MLWF hoping parameters" (p.4).
  • p. 3 right column, last lines
    With these MLWF hoping parameters
  • p. 4 left column
    only use the bulk’s MLWF hoping parameters
  • p. 3
    With these MLWF hoping parameters, we employ iterative method24,25
  • p. 4 surface Green function paragraph
    bulk’s MLWF hoping parameters

Judge's note: The images (crops C011-a on p.3 and C011-b on p.4) show 'hoping' in both places.

Second check: another model agreed

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Typo P.4 has "quantum spin Hall insualtor27"; it should read 'insulator'.
  • p. 4 right column
    quantum spin Hall insualtor27
  • p. 4
    study of two-dimensional quantum spin Hall insualtor27.
  • p. 4 right column, before Eq. (2)
    quantum spin Hall insualtor
  • p. 4
    insualtor27

Judge's note: The page 4 image (crop C014-a) shows 'insualtor', so this is a real misspelling.

Second check: another model agreed

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Typo Wrong article: "it is possible to write down an simple effective Hamiltonian" should read "a simple".
  • p. 4 left column, Low energy effective model
    write down an simple effective Hamiltonian

Judge's note: Visible on the p.4 crop, left column, 'Low energy effective model' paragraph.

Second check: none (judge only)

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Typo "is a topological trivial insulator" should read "topologically trivial insulator".
  • p. 4 Topological surface states
    is a topological trivial insulator

Judge's note: Page 4 image, left column: printed as quoted. The next sentence on the same page uses the adverb form ("topologically nontrivial nature"). Grammar slip only.

Second check: none (judge only)

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Typo The same first author is spelled "König, M. et al." in reference 5 and "Koenig, M. et al." in reference 27.
  • p. 5 reference 5
    K¨onig, M. et al.
  • p. 5 reference 27
    Koenig, M. et al.

Judge's note: Page 5 image: ref 5 (Science 318) prints König, ref 27 (J. Phys. Soc. Japan 77) prints Koenig. Both are accepted spellings and may follow each journal's own rendering; only the inconsistency within the list is at issue.

Second check: none (judge only)

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Typo Reference 31 gives the identifier as "arxiv: cond-mat/ 0811.1303 (2008)": an old-style 'cond-mat/' prefix on a new-style number, with a stray space.
  • p. 6 Ref 31
    arxiv: cond-mat/ 0811.1303 (2008)

Judge's note: Page 6 image: printed as quoted, with a visible space after the slash. Ref 8 on page 5 uses the old-style form correctly ("cond-mat/0604211"). The number 0811.1303 is a new-style identifier, which takes no archive prefix; it should read arXiv:0811.1303. The paper can still be found, so cosmetic.

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