Theoretical study of the pressure-induced topological phase transition in LaSb

Guo, Peng‐Jie; Yang, Huan-Cheng; Liu, Kai; Lu, Zhong-Yi

doi:10.1103/physrevb.96.081112

Cited by 36 publications

(29 citation statements)

References 55 publications

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“…It is apparent that DyBi at ambient pressure is topologically trivial (also confirmed by Z 2 calculation), whereas it is non-trivial at 2.1 GPa (Z 2 is [1;000]). It is worth noting that similar pressure-induced topological transition has also been proposed for LaSb between 3 and~4 GPa 29 . The reduction of lattice constant increases the hopping between orbitals, and therefore band dispersion.…”

Section: Resultssupporting

confidence: 76%

“…Both ARPES and transport measurements have confirmed that LaSb is a topologically trivial electron-hole compensated semimetal 22 similar to YSb 23 ; while LaBi is topologically non-trivial with clear evidence of protected surface states [24][25][26][27][28] . It has also been proposed from first-principles method that topological transition from trivial to non-trivial can be realized in LaSb by applying hydraulic pressure 29 . More recently, ARPES measurements have been performed with CeSb and CeBi compounds to investigate their topological properties [30][31][32][33][34][35] , and transport evidence for possible Weyl fermion has been found in CeSb at ferromagnetic state 36 .…”

mentioning

confidence: 99%

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Tunable electronic structure and topological properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi)

Duan

Chen

et al. 2018

Commun Phys

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Recently, the rare-earth monopnictide compounds LnPn have attracted considerable attention in condensed matter physics studies due to their possible topological properties. We have performed systematic first principles study of the electronic structure and band topology properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi). Assuming the f-electrons are well localized in these materials, both hybrid functional and modified Becke-Johnson calculations yield electronic structure in good agreement with experimental observations, while generalized gradient approximation calculations severely overestimate the band inversions. From Ce to Yb, a systematic reduction of band inversion with respect to the increasing Ln atomic number is observed, and Z 2 for CePn and YbPn are [1;000] and [0;000], respectively. In both hybrid functional and modified Becke-Johns calculations, a topologically non-trivial to trivial transition is expected around SmSb for the antimonides and around DyBi for the bismuthides. Such variation is related with lanthanide contraction, but is different from simple pressure effects.

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Section: Resultssupporting

confidence: 76%

mentioning

confidence: 99%

Tunable electronic structure and topological properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi)

Duan

Chen

et al. 2018

Commun Phys

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“…Multiple theoretical efforts concerning pressureinduced topological phase transitions have described what one can expect to observe during such a transition. The compound LaSb has been predicted to undergo a transition from topologically trivial to nontrivial near 3-4 GPa without breaking any symmetry, which could be verified in transport experiments by observing a change in the Berry phase from 0 to π [29]. It has been predicted that a topological transition from normal insulator to topological insulator might occur in noncentrosymmetric BiTeI under moderate pressures [30].…”

Section: Discussionmentioning

confidence: 87%

Possible pressure-induced topological quantum phase transition in the nodal line semimetal ZrSiS

et al. 2019

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ZrSiS has recently gained attention due to its unusual electronic properties: nearly perfect electron-hole compensation, large, anisotropic magneto-resistance, multiple Dirac nodes near the Fermi level, and an extremely large range of linear dispersion of up to ∼ 2 eV. We have carried out a series of high pressure electrical resistivity measurements on single crystals of ZrSiS. Shubnikov-de Haas measurements show two distinct oscillation frequencies. For the smaller orbit, we observe a change in the phase of ∼0.5, which occurs between 0.16 − 0.5 GPa. This change in phase is accompanied by an abrupt decrease of the cross-sectional area of this Fermi surface. We attribute this change in phase to a possible topological quantum phase transition. The phase of the larger orbit exhibits a Berry phase of π and remains roughly constant up to ∼2.3 GPa. Resistivity measurements to higher pressures show no evidence for pressure-induced superconductivity to at least ∼ 20 GPa.

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“…Both ARPES and transport measurements have confirmed that LaSb is a topologically trivial electron-hole compensated semimetal [22] similar to YSb [23]; while LaBi is topologically nontrivial with clear evidence of protected surface states [24][25][26][27][28]. It has also been proposed from first-principles method that topological transition from trivial to nontrivial can be realized in LaSb by applying hydraulic pressure [29]. More recently, ARPES measurements have been performed with CeSb and CeBi compounds to investigate their topological properties [30][31][32][33][34][35], and transport evidence for possible Weyl fermion has been found in CeSb at ferromagnetic state [36].…”

Section: Introductionmentioning

confidence: 78%

Tunable Electronic Structure and Topological Properties of $LnPn$ ($Ln$=Ce, Pr, Gd, Sm, Yb; $Pn$=Sb, Bi)

Duan,

Wu,

Chen

et al. 2018

Preprint

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Recently, the rare-earth monopnictide compounds LnPn have attracted considerable attention in condensed matter physics studies due to their possible topological properties. We have performed systematic first principles study of the electronic structure and band topology properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi). Assuming the f -electrons are well localized in these materials, both hybrid functional and modified Becke-Johnson calculations yield electronic structure in good agreement with experimental observations, while generalized gradient approximation calculations severely overestimate the band inversions. From Ce to Yb, a systematic reduction of band inversion with respect to the increasing Ln atomic number is observed, and Z 2 for CePn and YbPn are [1;000] and [0;000], respectively. In both hybrid functional and modified Becke-Johns calculations, a topologically nontrivial to trivial transition is expected around SmSb for the antimonides and around DyBi for the bismuthides. Such variation is related with lanthanide contraction, but is different from simple pressure effects.

show abstract

Theoretical study of the pressure-induced topological phase transition in LaSb

Cited by 36 publications

References 55 publications

Tunable electronic structure and topological properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi)

Tunable electronic structure and topological properties of LnPn (Ln=Ce, Pr, Sm, Gd, Yb; Pn=Sb, Bi)

Possible pressure-induced topological quantum phase transition in the nodal line semimetal ZrSiS

Tunable Electronic Structure and Topological Properties of $LnPn$ ($Ln$=Ce, Pr, Gd, Sm, Yb; $Pn$=Sb, Bi)

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