Motivated by recent experimental observation of an hydrostatic pressure induced transition from semiconductor to semimetal in black phosphorus [Chen et al. in arXiv:1504.00125], we present the first principles calculation on the pressure effect of the electronic structures of black phosphorus. It is found that the band crossover and reversal at the Z point occur around the critical pressure Pc1=1.23 Gpa, and the band inversion evolves into 4 twofold-degenerate Dirac cones around the Z point, suggesting a 3D Dirac semimetal. With further increasing pressure the Dirac cones in the Gamma-Z line move toward the Gamma point and evolve into two hole-type Fermi pockets, and those in the Z-M lines move toward the M point and evolve into 2 hole-type Fermi pockets up to P=4.0 Gpa. It demonstrates clearly that the Lifshitz transition occurs at $P_{c1}$ from semiconductor to 3D Dirac semimetal protected by the nonsymmorphic space symmetry of bulk. This suggests the bright perspective of black phosphorus for optoelectronic and electronic devices due to its easy modulation by pressure.
Magnetoresistance in single crystals of black phosphorus is studied at ambient and hydrostatic pressures. In the semiconducting states at pressures below 0.71 GPa, the magnetoresistance shows periodic oscillations, which can be ascribed to the magneto-phonon resonance that is characteristic of high mobility semiconductors. In the metallic state above 1.64 GPa, the both transverse and longitudinal magnetoresistance show titanic increase with exhibiting superposed Shubnikov-de Haas oscillations. The observed small Fermi surfaces, high mobilities and light effective masses of carriers in semimeta…
We report on the electronic transport properties of black phosphorus and analyze them using a two-carrier model in a wide range of pressure up to 2.5 GPa. In semiconducting state at 0.29 GPa, the remarkable non-linear behavior in the Hall resistance is reasonably reproduced by assuming the coexistence of two kinds of hole with different densities and mobilities. On the other hand, two-carrier analyses of the magnetotransport properties above 1.01 GPa suggest the coexistence of high mobility electron and hole carriers that have almost the same densities, i.e., nearly compensated semimetallic na…
In a semimetal, both electron and hole carriers contribute to the density of states at the Fermi level. The small band overlaps and multi-band effects give rise to many novel electronic properties, such as relativistic Dirac fermions with linear dispersion, titanic magnetoresistance and unconventional superconductivity. Black phosphorus has recently emerged as an exceptional semiconductor with high carrier mobility and a direct, tunable bandgap. Of particular importance is the search for exotic electronic states in black phosphorus, which may amplify the material's potential beyond semiconduct…
Single crystal and polycrystalline samples of MoP$_4$ with a black-phosphorus-derived structure have been successfully synthesized by a high-pressure technique. The polycrystalline samples show a large positive magnetoresistance and a small negative Seebeck coefficient at low temperatures, reflecting a semi-metallic nature with high-mobility electrons. Consistent with the transport properties, the band structure calculation reveals a semi-metallic state with the presence of two types of Dirac nodes slightly below the Fermi level. The Dirac node along the $Γ$-X direction normal to the phosphoru…
The antiferromagnet and semimetal EuCd$_2$As$_2$ has recently attracted a lot of attention due to a wealth of topological phases arising from the interplay of topology and magnetism. In particular, the presence of a single pair of Weyl points is predicted for a ferromagnetic configuration of Eu spins along the $c$-axis in EuCd$_2$As$_2$. In the search for such phases, we investigate here the effects of hydrostatic pressure in EuCd$_2$As$_2$. For that, we present specific heat, transport and $μ$SR measurements under hydrostatic pressure up to $\sim\,2.5\,$GPa, combined with {\it ab initio} dens…
PbTaSe$_2$ is a unique topological material, in which the number of nodal lines is expected to change at the structural transition between the lower temperature/pressure "L" phase and the higher temperature/pressure "H" phase. We report the anomalous Nernst effect attributed to the Berry curvature of nodal lines and its change with the structural transition. In the L phase, the Nernst coefficient ($S_{yx}$) shows the step-like magnetic field dependence reminiscent of the anomalous Nernst effect of nonmagnetic Dirac/Weyl semimetals. By applying hydrostatic pressure, we discovered that the ampli…
We study the electronic structure change of yttrium trihydride $\mathrm{YH_3}$ by applying a hydrostatic pressure. At zero pressure, $\mathrm{YH_3}$ has the structure with energy favored symmetry group $P\bar{3}c1$ (165). From first principle calculation, we argue that the band crossings are caused by overlapping of an electron- and hole-like bands. Besides the space inversion symmetry ($\mathcal{I}$) and the time reversal symmetry, the band structure also exhibits an approximate particle-hole symmetry. Thus, $\mathrm{YH_3}$ can be viewed as a pseudo nodal surface semimetal belongs to class BD…
Topological magnetic Weyl semimetals have been proposed to host controllable chiral domain walls which bear a great prospect in device applications. To exploit them in applications, it is important to have a proper way to tune and manipulate these domain walls. One possible means is through magnetoelastic coupling. The involvement of rare earth in the lately proposed $R$Al$X$ ($R$=rare earth, $X$=Si and Ge) family magnetic Weyl semimetals may provide such a platform. Here we present transport and thermodynamic properties of CeAlGe under hydrostatic pressure. We find that pressure enhances the …
We report experimental signatures of topological transitions among the Weyl semimetal states of pyrochlore Pr2Ir2O7, where the Kondo coupling between the Ir topological electrons and the spin-ice like orders of Pr moments plays a decisive role. The magnetic-field dependence of resistivity and the Hall conductivity exhibits a plateau and a sharp jump associated with a magnetic-field hysteresis, similar to a liquid-gas-like transition in dipolar spin ice system. Furthermore, the Kondo coupling is controlled by the hydrostatic pressure, revealing that the field-induced displacement of Weyl points…
We report the effect of hydrostatic pressure on the magnetotransport properties of the Weyl semimetal NbAs. Subtle changes can be seen in the $ρ_{xx}(T)$ profiles with pressure up to 2.31 GPa. The Fermi surfaces undergo an anisotropic evolution under pressure: the extremal areas slightly increase in the $\mathbf{k_x}$-$\mathbf{k_y}$ plane, but decrease in the $\mathbf{k_z}$-$\mathbf{k_y}$($\mathbf{k_x}$) plane. The topological features of the two pockets observed at atmospheric pressure, however, remain unchanged at 2.31 GPa. No superconductivity can be seen down to 0.3 K for all the pressures…
Recent progresses in condensed matter physics, such as graphene, topological insulator and Weyl semimetal, often origin from the specific topological symmetries of their lattice structures. Quantum states with different degrees of freedom, e.g. spin, valley, layer, etc., arise from these symmetries, and the coherent superpositions of these states form multiple energy subbands. The pseudospin, a concept analogy to the Dirac spinor matrices, is a successful description of such multi-subband systems. When the electron-electron interaction dominates, many-body quantum phases arise. They usually ha…
Noncentrosymmetric Ce$_{3}$Bi$_{4}$Pd$_{3}$ has attracted a lot of attention as a candidate for strongly correlated topological material, yet its experimental ground state remains a matter of contention. Two conflicting scenarios have emerged from a comparison to prototypical Kondo insulator Ce$_{3}$Bi$_{4}$Pt$_{3}$: either Ce$_{3}$Bi$_{4}$Pd$_{3}$ is a spin-orbit-driven topological semimetal or a Kondo insulator with smaller Kondo coupling than its Pt counterpart. Here we determine the ground state of Ce$_{3}$Bi$_{4}$Pd$_{3}$ via electrical resistivity measurements under hydrostatic pressure,…
Infrared optical investigations of $α$-(BEDT-TTF)$_2$I$_3$ have been performed in the spectral range from 80 to 8000~cm$^{-1}$ down to temperatures as low as 10~K by applying hydrostatic pressure. In the metallic state, $T > 135$~K, we observe a 50\% increase in the Drude contribution as well as the mid-infrared band due to the growing intermolecular orbital overlap with pressure up to 11~kbar. In the ordered state, $T<T_{\rm CO}$, we extract how the electronic charge per molecule varies with temperature and pressure: Transport and optical studies demonstrate that charge order and metal-insula…
