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Register a new userStrain-induced topological phase transition in two-dimensional platinum ditelluride
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Topological phase transition is a hot topic in condensed matter physics and computational material science. Here, we investigate the electronic structure and phonon dispersion of the two-dimensional (2D) platinum ditelluride ($PtTe_2$) using the density functional theory. It is found that the $PtTe_2$ monolayer is a trivial insulator with an indirect band gap of 0.347eV. Based on parity analysis, the biaxial tensile strain can drive the topological phase transition. As the strain reaches 19.3%, $PtTe_2$ undergoes a topological phase transition, which changes from a trivial band insulator to a topological insulator with $Z_2=1$. Unlike conventional honeycomb 2D materials with topological phase transition, which gap closes at K points, the strained $PtTe_2$ monolayer becomes gapless at M points under critical biaxial strain. The band inversion leads the switch of the parities near the Fermi level, which gives rise to the topological phase transition. The novel monolayer $PtTe_2$ has a potential application in the field of micro-electronics.
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We study the magnetic proximity effect on a two-dimensional topological insulator in a CrI$_3$/SnI$_3$/CrI$_3$ trilayer structure. From first-principles calculations, the BiI$_3$-type SnI$_3$ monolayer without spin-orbit coupling has Dirac cones at the corners of the hexagonal Brillouin zone. With spin-orbit coupling turned on, it becomes a topological insulator, as revealed by a non-vanishing $Z_2$ invariant and an effective model from symmetry considerations. Without spin-orbit coupling, the Dirac points are protected if the CrI$_3$ layers are stacked ferromagnetically, and are gapped if the CrI$_3$ layers are stacked antiferromagnetically, which can be explained by the irreducible representations of the magnetic space groups $C_{3i}^1$ and $C_{3i}^1(C_3^1)$, corresponding to ferromagnetic and antiferromagnetic stacking, respectively. By analyzing the effective model including the perturbations, we find that the competition between the magnetic proximity effect and spin-orbit coupling leads to a topological phase transition between a trivial insulator and a topological insulator.
Photo-induced phase transitions (PIPTs) provide an ultrafast, energy-efficient way for precisely manipulating the topological properties of transition-metal ditellurides, and can be used to stabilize a topological phase in an otherwise semiconducting material. Using first-principles calculations, we demonstrate that the PIPT in monolayer MoTe$_2$ from the semiconducting 2H phase to the topological 1T$$ phase can be triggered purely by electronic excitations that soften multiple lattice vibrational modes. These softenings, driven by a Peierls-like mechanism within the conduction bands, lead to structural symmetry breaking within sub-picosecond timescales, which is shorter than the timescale of a thermally driven phase transition. The transition is predicted to be triggered by photons with energies over $1.96$,eV, with an associated excited carrier density of $3.4times10^{14}$,cm$^{-2}$, which enables a controllable phase transformation by varying the laser wavelength. Our results provide insight into the underlying physics of the phase transition in 2D transition-metal ditellurides, and show an ultrafast phase transition mechanism for manipulation of the topological properties of 2D systems.
The interplay between various symmetries and electronic bands topology is one of the core issues for topological quantum materials. Spontaneous magnetism, which leads to the breaking of time-reversal symmetry, has been proven to be a powerful approach to trigger various exotic topological phases. In this work, utilizing the combination of angle-resolved photoemission spectroscopy, magneto-optical Kerr effect microscopy and first-principles calculations, we present the direct evidence on the realization of the long-sought spontaneous time-reversal symmetry breaking induced topological phase transition in soft ferromagnetic EuB$_6$. We successfully disentangle the bulk band structure from complicated surface states, and reveal the hallmark band inversion occurring between two opposite-parity bulk bands below the phase transition temperature. Besides, our magneto-optical Kerr effect microscopy result confirms the simultaneous formation of magnetic domains in EuB$_6$, implying the intimate link between the topological phase transition and broken time-reversal symmetry therein. Our results demonstrate that EuB$_6$ provides a potential platform to study the interplay between the topological phases and tunable magnetic orders.
It has been well established that both in bulk at ambient pressure and for films under modest strains, cubic SrCoO$_{3-delta}$ ($delta < 0.2$) is a ferromagnetic metal. Recent theoretical work, however, indicates that a magnetic phase transition to an antiferromagnetic structure could occur under large strain accompanied by a metal-insulator transition. We have observed a strain-induced ferromagnetic to antiferromagnetic phase transition in SrCoO$_{3-delta}$ films grown on DyScO$_3$ substrates, which provide a large tensile epitaxial strain, as compared to ferromagnetic films under lower tensile strain on SrTiO$_3$ substrates. Magnetometry results demonstrate the existence of antiferromagnetic spin correlations and neutron diffraction experiments provide a direct evidence for a G-type antiferromagnetic structure with Neel temperatures between $T_N sim 135,pm,10,K$ and $sim 325,pm,10,K$ depending on the oxygen content of the samples. Therefore, our data experimentally confirm the predicted strain-induced magnetic phase transition to an antiferromagnetic state for SrCoO$_{3-delta}$ thin films under large epitaxial strain.
The transition from topologically nontrivial to a trivial state is studied by first-principles calculations on bulk zinc-blende type (Hg$_{1-x}$Zn$_x$)(Te$_{1-x}$S$_x$) disordered alloy series. The random chemical disorder was treated by means of the Coherent Potential Approximation. We found that although the phase transition occurs at the strongest disorder regime (${xapprox 0.5}$), it is still manifested by well-defined Bloch states forming a clear Dirac cone at the Fermi energy of the bulk disordered material. The computed residual resistivity tensor confirm the topologically-nontrivial state of the HgTe-rich (${x<0.5}$), and the trivial state of the ZnS-rich alloy series (${x>0.5}$) by exhibiting the quantized behavior of the off-diagonal spin-projected component, independently on the concentration $x$.
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