9 research outputs found
Pressure induced electronic topological transition in Sb2S3
Pressure induced electronic topological transitions in the wide band gap
semiconductor Sb2S3 (Eg = 1.7-1.8 eV) with similar crystal symmetry (SG: Pnma)
to its illustrious analog, Sb2Se3, has been studied using Raman spectroscopy,
resistivity and the available literature on the x-ray diffraction studies. In
this report, the vibrational and the transport properties of Sb2S3 have been
studied up to 22 GPa and 11 GPa, respectively. We observed the softening of
phonon modes Ag(2), Ag(3) and B2g and a sharp anomaly in their line widths at 4
GPa. The resistivity studies also shows an anomaly around this pressure. The
changes in resistivity as well as Raman line widths can be ascribed to the
changes in the topology of the Fermi surface which induces the electron-phonon
and the strong phonon-phonon coupling, indicating a clear evidence of the
electronic topological transition (ETT) in Sb2S3. The pressure dependence of
a/c ratio plot obtained from the literature showed a minimum at ~ 5 GPa, which
is consistent with our high pressure Raman and resistivity results. Finally, we
give the plausible reasons for the non-existence of a non-trivial topological
state in Sb2S3 at high pressures.Comment: 24 pages, 6 Figures, 2 tables submitted for publicatio
Switching of the topologically trivial and non-trivial quantum phase transitions in compressed 1T-TiTe2: Experiments and Theory
We report the structural, vibrational and electrical transport properties up
to 16 GPa of the 1T-TiTe2, a prominent layered 2D system, which is predicted to
show a series of topologically trivial - nontrivial transitions under
hydrostatic compression. We clearly show signatures of two iso-structural
transition at 2 GPa and 4 GPa obtained from the minima in c/a ratio concomitant
with the phonon linewidth anomalies of Eg and A1g modes at around the same
pressures, providing strong indication of unusual electron-phonon coupling
associated to these transitions. Resistivity presents nonlinear behavior over
similar pressure ranges providing a strong indication of the electronic origin
of these pressure driven isostructural transitions. Our data thus provide clear
evidences of topological changes at A and L point of the Brillouin zone
predicted to be present in the compressed 1T-TiTe2. Between 4 GPa and 8 GPa,
the c/a ratio shows a plateau suggesting a transformation from an anisotropic
2D layer to a quasi 3D crystal network. First principles calculations suggest
that the 2D to quasi 3D evolution without any structural phase transitions is
mainly due to the increased interlayer Te-Te interactions (bridging) via the
charge density overlap. In addition to the pressure dependent isostructural
phase transitions, our data also evidences the occurrence of a first order
structural phase transition from the trigonal (P-3m1) phase at higher
pressures. We estimate the start of this structural phase transition to be 8
GPa and the symmetric of the new high-pressure phase to be monoclinic (C2/m).Comment: 22 pages, 11 Figures, 2 Table
Structural, vibrational, and electrical properties of 1T-TiTe2 under hydrostatic pressure: Experiments and theory
We report the structural, vibrational, and electrical transport properties up to ∼16 GPa of 1T -TiTe2, a prominent
layered 2D system. We clearly show signatures of two isostructural transitions at ∼2 GPa and ∼4 GPa obtained
from the minima in c/a ratio concomitant with the phonon linewidth anomalies of Eg and A1g modes around
the same pressures, providing a strong indication of unusual electron-phonon coupling associated with these
transitions. Resistance measurements present nonlinear behavior over similar pressure ranges shedding light on
the electronic origin of these pressure-driven isostructural transitions. These multiple indirect signatures of an
electronic transition at ∼2 GPa and ∼4 GPa are discussed in connection with the recent theoretical proposal
for 1T -TiTe2 and also the possibility of an electronic topological transition from our electronic Fermi surface
calculations. Between 4 GPa and ∼8 GPa, the c/a ratio shows a plateau suggesting a transformation from an
anisotropic 2D layer to a quasi-3D crystal network. First-principles calculations suggest that the 2D to quasi-3D
evolution without any structural phase transitions is mainly due to the increased interlayer Te-Te interactions
(bridging) via the charge density overlap. In addition, we observed a first-order structural phase transition from
the trigonal (P3¯m1) to monoclinic (C2/m) phase at higher pressure regions. We estimate the start of this structural
phase transition to be ∼8 GPa and also the coexistence of two phases [trigonal (P3¯m1) and monoclinic (C2/m)]
was observed from ∼8 GPa to ∼16 GPa
Pressure induced structural, electronic topological, and semiconductor to metal transition in AgBiSe<sub>2</sub>
We report the effect of strong spin orbit coupling inducing electronic topological and semiconductor to metal transitions on the thermoelectric material AgBiSe2 at high pressures. The synchrotron X-ray diffraction and the Raman scattering measurement provide evidence for a pressure induced structural transition from hexagonal (α-AgBiSe2) to rhombohedral (β-AgBiSe2) at a relatively very low pressure of around 0.7 GPa. The sudden drop in the electrical resistivity and clear anomalous changes in the Raman line width of the A1g and Eg(1) modes around 2.8 GPa was observed suggesting a pressure induced electronic topological transition. On further increasing the pressure, anomalous pressuredependence of phonon (A1g and Eg(1)) frequencies and line widths along with the observed temperature dependent electrical resistivity show a pressure induced semiconductor to metal transition above 7.0 GPa in β-AgBiSe2. First principles theoretical calculations reveal that the metallic character of β-AgBiSe2 is induced mainly due to redistributions of the density of states (p orbitals of Bi and Se) near to the Fermi level. Based on its pressure induced multiple electronic transitions, we propose that AgBiSe2 is a potential candidate for the good thermoelectric performance and pressure switches at high pressure
Pressure-induced structural changes and insulator-metal transition in layered bismuth triiodide, BiI<sub>3</sub>: a combined experimental and theoretical study
Noting that BiI3 and the well-known Topological Insulator (TI) Bi2Se3 have the same high symmetry parent structures and that it is desirable to find a wide-band gap TI, we determine here the effects of pressure on the structure, phonons and electronic properties of rhombohedral BiI3. We report a pressure-induced insulator-metal transition near 1.5 GPa, using high pressure electrical resistivity and Raman measurements. X-ray diffraction studies, as a function of pressure, reveal a structural peculiarity of the BiI3 crystal, with a drastic drop in c/a ratio at 1.5 GPa and a structural phase transition from rhombohedral to monoclinic structure at 8.8 GPa. Interestingly, the metallic phase, at relatively low pressures, exhibits minimal resistivity at low temperatures, similar to that in Bi2Se3. We corroborate these findings with first-principles calculations and suggest that the drop in the resistivity of BiI3 in the 1–3 GPa range of pressure arises possibly from the appearance of an intermediate crystal phase with a lower band-gap and hexagonal crystal structure. Calculated Born effective charges reveal the presence of metallic states in the structural vicinity of rhombohedral BiI3. Changes in the topology of the electronic bands of BiI3 with pressure, and a sharp decrease in the c/a ratio below 2 GPa, are shown to give rise to changes in the slope of phonon frequencies near that pressure