Quantum-classical correspondence and dissipative to dissipationless crossover in magnetotransport phenomena.

The three-dimensional magneto-conductivity tensor was derived in a gauge invariant form based on the Kubo formula considering quantum effects under a magnetic field, such as the Landau quantization and quantum oscillations. We analytically demonstrated that the quantum formula of the magneto-conductivity can be obtained by adding a quantum oscillation factor to the classical formula. This result establishes the quantum-classical correspondence, which has long been missing in magnetotransport phenomena. Moreover, we found dissipative-to-dissipationless crossover in the Hall conductivity by paying special attention to the analytic properties of the thermal Green's function. Finally, by calculating the magnetoresistance of semimetals, we identified a phase shift in quantum oscillation originating from the dissipationless transport predominant at high fields.

Negative transverse magnetoresistance due to the negative off-diagonal mass in linear dispersion materials.

This study calculated the magnetoresistance (MR) in the Dirac electron system, Dresselhaus-Kip-Kittel (DKK) model, and nodal-line semimetals based on the semiclassical Boltzmann theory, with particular focus on the detailed energy dispersion structure. The negative off-diagonal effective-mass was found to induce negative transverse MR owing to the energy dispersion effect. The impact of the off-diagonal mass was more prominent in case of a linear energy dispersion. Further, Dirac electron systems could realize negative MR even if the Fermi surface was perfectly spherical. The obtained negative MR in the DKK model may explain the long-standing mystery in p-type Si.

Observation of large spin conversion anisotropy in bismuth.

While the effective g-factor can be anisotropic due to the spin-orbit interaction (SOI), its existence in solids cannot be simply asserted from a band structure, which hinders progress on studies from such viewpoints. The effective g-factor in bismuth (Bi) is largely anisotropic; especially for holes at T-point, the effective g-factor perpendicular to the trigonal axis is negligibly small (<0.112), whereas the effective g-factor along the trigonal axis is very large (62.7). We clarified in this work that the large anisotropy of effective g-factor gives rise to the large spin conversion anisotropy in Bi from experimental and theoretical approaches. Spin-torque ferromagnetic resonance was applied to estimate the spin conversion efficiency in rhombohedral (110) Bi to be 17 to 27%, which is unlike the negligibly small efficiency in Bi(111). Harmonic Hall measurements support the large spin conversion efficiency in Bi(110). A large spin conversion anisotropy as the clear manifestation of the anisotropy of the effective g-factor is observed. Beyond the emblematic case of Bi, our study unveiled the significance of the effective g-factor anisotropy in condensed-matter physics and can pave a pathway toward establishing novel spin physics under g-factor control.

Orbital magnetization of three-dimensional Dirac electrons in the quantum limit.

In this study, we evaluated the dependence of magnetization of three-dimensional Dirac electrons in the quantum limit on the magnetic field and temperature. The magnetization was calculated by differentiating the free energy with respect to the magnetic field. The field and temperature dependence of the chemical potential were entirely considered under the canonical ensemble condition. The total magnetizationMconsisted of two contributions from the conductionMcand valenceMvbands.Mvwas insensitive to temperature and exhibited sub-linear field dependence, which is consistent with the previous research on Dirac electrons. By contrast,Mcwas sensitive to both temperature and magnetic field, yielding a non-trivial contribution to the totalM. As a result, the properties of totalMchanged at approximatelykBT≃EF, whereEFis the Fermi energy measured from the band bottom andkBis the Boltzmann constant. At low temperatureskBT≲EF,Mexhibited sub-linear field dependence, whereasMexhibited super-linear field dependence at high temperatureskBT≳EF. This qualitative change in the field dependence ofMwill play a significant role in the magnetization of Dirac electrons with smallEF.

Boundary conductance in macroscopic bismuth crystals.

The interface between a solid and vacuum can become electronically distinct from the bulk. This feature, encountered in the case of quantum Hall effect, has a manifestation in insulators with topologically protected metallic surface states. Non-trivial Berry curvature of the Bloch waves or periodically driven perturbation are known to generate it. Here, by studying the angle-dependent magnetoresistance in prismatic bismuth crystals of different shapes, we detect a robust surface contribution to electric conductivity when the magnetic field is aligned parallel to a two-dimensional boundary between the three-dimensional crystal and vacuum. The effect is absent in antimony, which has an identical crystal symmetry, a similar Fermi surface structure and equally ballistic carriers, but an inverted band symmetry and a topological invariant of opposite sign. Our observation confirms that the boundary interrupting the cyclotron orbits remains metallic in bismuth, which is in agreement with what was predicted by Azbel decades ago. However, the absence of the effect in antimony indicates an intimate link between band symmetry and this boundary conductance.

Large longitudinal magnetoresistance of multivalley systems.

The longitudinal magnetoresistance (MR) is assumed to be hardly realized as the Lorentz force does not work on electrons when the magnetic field is parallel to the current. However, in some cases, longitudinal MR becomes large, which exceeds the transverse MR. To solve this problem, we have investigated the longitudinal MR considering multivalley contributions based on the classical MR theory. We have showed that the large longitudinal MR is caused by off-diagonal components of a mobility tensor. Our theoretical results agree with the experiments of large longitudinal MR in IV-VI semiconductors, especially in PbTe, for a wide range of temperatures, except for linear MR at low temperatures.

Weak anti-localization in spin-orbit coupled lattice systems.

The quantum correction to electrical conductivity is studied on the basis of two-dimensional Wolff Hamiltonian, which is an effective model for a spin-orbit coupled (SOC) lattice system. It is shown that weak anti-localization (WAL) arises in SOC lattices, although its mechanism and properties are different from the conventional WAL in normal metals with SOC impurities. The interband SOC effect induces the contribution from the interband singlet Cooperon, which plays a crucial role for WAL in the SOC lattice. It is also shown that there is a crossover from WAL to weak localization in SOC lattices when the Fermi energy or band gap changes. The implications of the present results to Bi-Sb alloys and PbTe under pressure are discussed.

Nonperturbative Matrix Mechanics Approach to Spin-Split Landau Levels and the g Factor in Spin-Orbit Coupled Solids.

We propose a fully quantum approach to nonperturbatively calculate the spin-split Landau levels and g factor of various spin-orbit coupled solids based on the k·p theory in the matrix mechanics representation. The new method considers the detailed band structure and the multiband effect of spin-orbit coupling irrespective of the magnetic-field strength. We show an application of this method to PbTe, a typical Dirac electron system. Contrary to popular belief, we show that the spin-splitting parameter M, which is the ratio of the Zeeman to cyclotron energy, exhibits a remarkable magnetic-field dependence. This field dependence can rectify the existing discrepancy between experimental and theoretical results. We also show that M evaluated from the fan diagram plot is different from that determined as the ratio of the Zeeman to cyclotron energy, which also overturns common belief.

Longitudinal and transverse magnetoresistance of SrTiO3 with a single closed Fermi surface.

The magnetoresistance (MR) of SrTiO3 is theoretically investigated based on the Boltzmann equation by considering its detailed band structure. The formula for MR proposed by Mackey and Sybert is extended to be applicable to a system with an arbitrarily shaped Fermi surface. It is shown that the angular dependence of the diagonal component of the mass tensor causes transverse MR, whereas that of the off-diagonal component causes longitudinal MR with only a single closed Fermi surface, which overturns the textbook understanding of MR. The calculated MR (300% at 10 T) quantitatively agrees with the experimental results for SrTiO3 including the behavior of the linear MR. The negative Gaussian curvature of the Fermi surface of SrTiO3 and its resulting negative longitudinal and transverse MR are also discussed.

Corrections to the magnetoresistance formula for semimetals with Dirac electrons: the Boltzmann equation approach validated by the Kubo formula.

The magnetoresistance (MR) in semimetals with Dirac (or Weyl) electrons and free holes is investigated on the basis of the Boltzmann theory. The MR is modified from the conventional results with free electrons and holes in a very complex way due to the correction of the Dirac dispersion. The obtained formula explicitly includes the magnetic field dependence, which is very useful for the analysis of experimental results. In order to verify the validity of our results, the results obtained by the Boltzmann approach are compared with those by the Kubo theory. It is revealed that, by taking into account the field dependence of carrier density, the MR obtained by the Boltzmann theory almost perfectly agrees with that based on the Kubo theory even in the high-field region (in the quantum limit) except for the quantum oscillations. It is also shown that the MR in semimetals increases linearly with respect to the field in the quantum limit due to the drastic change of the carrier density, which is a significant characteristic of semimetals.

Magnetoresistance and valley degree of freedom in bulk bismuth.

In this paper, we first review fundamental aspects of magnetoresistance in multi-valley systems based on the semiclassical theory. Then we will review experimental evidence and theoretical understanding of magnetoresistance in an archetypal multi-valley system, where the electric conductivity is set by the sum of the contributions of different valleys. Bulk bismuth has three valleys with an extremely anisotropic effective mass. As a consequence the magnetoconductivity in each valley is extremely sensitive to the orientation of the magnetic field. Therefore, a rotating magnetic field plays the role of a valley valve tuning the contribution of each valley to the total conductivity. In addition to this simple semiclassical effect, other phenomena arise in the high-field limit as a consequence of an intricate Landau spectrum. In the vicinity of the quantum limit, the orientation of magnetic field significantly affects the distribution of carriers in each valley, namely, the valley polarization is induced by the magnetic field. Moreover, experiment has found that well beyond the quantum limit, one or two valleys become totally empty. This is the only case in condensed matter physics where a Fermi sea is completely dried up by a magnetic field without a metal-insulator transition. There have been two long-standing problems on bismuth near the quantum limit: the large anisotropic Zeeman splitting of holes, and the extra peaks in quantum oscillations, which cannot be assigned to any known Landau levels. These problems are solved by taking into account the interband effect due to the spin-orbit couplings for the former, and the contributions from the twinned crystal for the latter. Up to here, the whole spectrum can be interpreted within the one-particle theory. Finally, we will discuss transport and thermodynamic signatures of breaking of the valley symmetry in this system. By this term, we refer to the observed spontaneous loss of threefold symmetry at high magnetic field and low temperature. Its theoretical understanding is still missing. We will discuss possible explanations.

Emptying Dirac valleys in bismuth using high magnetic fields.

The Fermi surface of elemental bismuth consists of three small rotationally equivalent electron pockets, offering a valley degree of freedom to charge carriers. A relatively small magnetic field can confine electrons to their lowest Landau level. This is the quantum limit attained in other dilute metals upon application of sufficiently strong magnetic field. Here we report on the observation of another threshold magnetic field never encountered before in any other solid. Above this field, Bempty, one or two valleys become totally empty. Drying up a Fermi sea by magnetic field in the Brillouin zone leads to a manyfold enhancement in electric conductance. We trace the origin of the large drop in magnetoresistance across Bempty to transfer of carriers between valleys with highly anisotropic mobilities. The non-interacting picture of electrons with field-dependent mobility explains most results but the Coulomb interaction may play a role in shaping the fine details.

Crystalline spin-orbit interaction and the Zeeman splitting in Pb1-x Sn x Te.

The ratio of the Zeeman splitting to the cyclotron energy ([Formula: see text]), which characterizes the relative strength of the spin-orbit interaction in crystals, is examined for the narrow gap IV-VI semiconductors PbTe, SnTe, and their alloy Pb1-x Sn x Te on the basis of the multiband [Formula: see text] theory. The inverse mass α, the g-factor g, and M are calculated numerically by employing the relativistic empirical tight-binding band calculation. On the other hand, a simple but exact formula of M is obtained for the six-band model based on the group theoretical analysis. It is shown that M < 1 for PbTe and M > 1 for SnTe, which are interpreted in terms of the relevance of the interband couplings due to the crystalline spin-orbit interaction. It is clarified both analytically and numerically that M is not a quantized value but a continuous one, and M = 1 is obtained just at the band inversion point, where the transition from trivial to nontrivial topological crystalline insulator occurs. By using this property, one can detect the transition point only with the bulk measurements. It is also proposed that M is useful to evaluate quantitatively a degree of the Dirac electrons in solids.

Origin of the Large Anisotropic g Factor of Holes in Bismuth.

The ratio of the Zeeman splitting to the cyclotron energy (M=ΔE_{Z}/ℏω_{c}) for holelike carriers in bismuth has been quantified with great precision by many experiments performed during the past five decades. It exceeds 2 when the magnetic field is along the trigonal axis and vanishes in the perpendicular configuration. Theoretically, however, M is expected to be isotropic and equal to unity in a two-band Dirac model. We argue that a solution to this half-a-century-old puzzle can be found by extending the k·p theory to multiple bands. Our model not only gives a quantitative account of the magnitude and anisotropy of M for holelike carriers in bismuth, but also explains its contrasting evolution with antimony doping and pressure, both probed by new experiments reported here. The present results have important implications for the magnitude and anisotropy of M in other systems with strong spin-orbit coupling.

Landau spectrum and twin boundaries of bismuth in the extreme quantum limit.

The Landau spectrum of bismuth is complex and includes many angle-dependent lines in the extreme quantum limit. The adequacy of single-particle theory to describe this spectrum in detail has been an open issue. Here, we present a study of angle-resolved Nernst effect in bismuth, which maps the angle-resolved Landau spectrum for the entire solid angle up to 28 T. The experimental map is in good agreement with the results of a theoretical model with parabolic dispersion for holes and an extended Dirac Hamiltonian for electrons. The angular dependence of additional lines in the Landau spectrum allows us to uncover the mystery of their origin. They correspond to the lines expected for the hole Landau levels in a secondary crystal tilted by 108°, the angle between twinned crystals in bismuth. According to our results, the electron reservoirs of the two identical tilted crystals have different chemical potentials, and carriers across the twin boundary have different concentrations. An exceptional feature of this junction is that it separates two electron-hole compensated reservoirs. The link between this edge singularity and the states wrapping a three-dimensional electron gas in the quantum limit emerges as an outstanding open question.

Interband contributions from the magnetic field on Hall effects for dirac electrons in bismuth.

The Hall conductivity sigma_{xy} of Dirac electrons with a spin-orbit interaction is examined. It is shown that there is an unconventional contribution to sigma_{xy} generated by the interband effects of a magnetic field, which is remarkable near the band edges and does not depend on impurity scatterings so much, suggesting the same origin as the known large diamagnetism. Correspondingly, the Hall coefficient exhibits unexpected peaks at around the band edges. Implications of the present results to bismuth alloys are discussed.