Coexistence of topological nontrivial and spin-gapless semiconducting behavior in 
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: A composite quantum compound

Hsu, Chia-Hsiu; Sreeparvathy, P. C.; Barman, Chanchal K.; Chuang, Feng‐Chuan; Alam, Aftab

doi:10.1103/physrevb.103.195143

Cited by 7 publications

(2 citation statements)

References 52 publications

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“…This flux is defined as wiring a sphere encircling the Weyl point with a value of either +1 or −1, according to the chirality of the Weyl fermion [79]. The Chern number corresponding to the Weyl node W ± i =1,2,3,4 is given by C = ±1 [80]. There have been previous reports on the existence of Weyl semimetal phases protected by two-fold rotation symmetry within tetragonal systems.…”

Section: Nodal Line Features and Weyl Nodesmentioning

confidence: 99%

Coexistence of electron and phonon topology in conjunction with quantum transport device modeling

Pradhan,

Kanchana

2024

J. Phys.: Condens. Matter

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The escalating research in the field of topology necessitates an understanding of the underlying rich physics behind the materials possessing unique features of non-trivial topology in both electronic and phononic states. Due to the interaction between electronic quasiparticles and spin degrees of freedom, the realization of magnetic topological materials has opened up a new frontier withunusual topological phases, however, these are rarely reported alongside phononic quasiparticle excitations. In this work, by virtue of first principles calculations and symmetry analysis, the intermetallic ferromagnetic compounds MnGaGe and MnZnSb with the coexistence of exceptional topological features in the electronic and phononic states are proposed. These compounds host nodal surface on ky = π plane in bulk Brillouin zone (BZ) in the electronic and phononic spectra protected by the combination of time-reversal symmetry and nonsymmorphic two-fold screw-rotation symmetry. In the former case, spin-polarized nodal surfaceis present in the majority and minority spin channels and found to be robust to ground-state magnetic polarization. The presence of nodal line features is analyzed in both the quasiparticle spectra, whose non-trivial nature is confirmed by the Berry phase calculation. The incorporation of spin-orbit coupling (SOC) in the electron spectra introduces distinctive characteristics in the transport properties, facilitating the emergence of anomalous Hall conductivity (AHC) by means of Berry curvature (BC) in both bulk and monolayer. Furthermore, the monolayer has been proposed as a two-terminal device model to investigate the quantum transport properties using the non-equilibrium Green’s function (NEGF) approach. This superlative combination of observations and modeling sets the path for a greater level of insight into the behavior and aspects of topological materials at the atomic scale.

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Section: Nodal Line Features and Weyl Nodesmentioning

confidence: 99%

Coexistence of electron and phonon topology in conjunction with quantum transport device modeling

Pradhan,

Kanchana

2024

J. Phys.: Condens. Matter

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“…Intriguingly, the topological Dirac semimetal (TDSM) is an intermediate quantum state between trivial and non-trivial states 3 . Also, these new types of materials are a good playground to identify the new quantum phenomena in condensed matter physics from Dirac semimetals to Weyl semimetals 4 , 5 . TDSM is observed when the valence and conduction bands are degenerate at one critical point, defined as Dirac point in 3-dimension (3D) bulk structure near the Fermi level, and exhibits Lorentz symmetry breaking, which forms a Dirac cone 6 , 7 .…”

Section: Introductionmentioning

confidence: 99%

Prediction of topological Dirac semimetal in Ca-based Zintl layered compounds CaM2X2 (M = Zn or Cd; X = N, P, As, Sb, or Bi)

Feng

Villaos

Maghirang

et al. 2022

Sci Rep

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Topological Dirac materials are attracting a lot of attention because they offer exotic physical phenomena. An exhaustive search coupled with first-principles calculations was implemented to investigate 10 Zintl compounds with a chemical formula of CaM2X2 (M = Zn or Cd, X = N, P, As, Sb, or Bi) under three crystal structures: CaAl2Si2-, ThCr2Si2-, and BaCu2S2-type crystal phases. All of the materials were found to energetically prefer the CaAl2Si2-type structure based on total ground state energy calculations. Symmetry-based indicators are used to evaluate their topological properties. Interestingly, we found that CaM2Bi2 (M = Zn or Cd) are topological crystalline insulators. Further calculations under the hybrid functional approach and analysis using k · p model reveal that they exhibit topological Dirac semimetal (TDSM) states, where the four-fold degenerate Dirac points are located along the high symmetry line in-between Г to A points. These findings are verified through Green's function surface state calculations under HSE06. Finally, phonon spectra calculations revealed that CaCd2Bi2 is thermodynamically stable. The Zintl phase of AM2X2 compounds have not been identified in any topological material databases, thus can be a new playground in the search for new topological materials.

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Prediction of Ground State Structures and Robust Weyl Fermionic States in MnRhP

et al. 2022

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Topological metals are a new class of materials that feature Fermionic quasiparticles with the presence of non-trivial band crossings near the Fermi level. In this work, we focus on establishing crystal structure ground states and the corresponding topological properties of MnRhP. Under ambient pressure and low temperatures, we find that an orthorhombic oP12 polymorph is favored over the known hexagonal hP9 phase. Pressures above 15 GPa stabilize tetragonal (tP6′), hexagonal (hP9′), and orthorhombic (oP12′) phases with inverted population of metal sites. While oP12′ has the lowest enthalpy, we show that hP9′ is more consistent with the previous X-ray diffraction data collected at 60 GPa. Our analysis of hP9 and oP12 topological properties reveals the existence of nodal lines around the Γ-point that are gapped out when spin–orbit coupling effects are included and transform into Weyl nodes with opposite chirality near the Fermi level. The calculated large values of the anomalous Hall conductivity in hP9, oP12, and tP6′ and the Z 2 topological invariant in the non-magnetic hP9′ can be used to verify the predicted non-trivial robust topological features of MnRhP under ambient and high pressures.

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Coexistence of topological nontrivial and spin-gapless semiconducting behavior in MnPO4 : A composite quantum compound

Cited by 7 publications

References 52 publications

Coexistence of electron and phonon topology in conjunction with quantum transport device modeling

Coexistence of electron and phonon topology in conjunction with quantum transport device modeling

Prediction of topological Dirac semimetal in Ca-based Zintl layered compounds CaM2X2 (M = Zn or Cd; X = N, P, As, Sb, or Bi)

Prediction of Ground State Structures and Robust Weyl Fermionic States in MnRhP

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