We present a new way to tune the electron-phonon coupling (EPC) in graphene by changing the deformation potential with electron/hole doping. We show the EPC for highest optical branch at the high symmetry point K, acquires a strong dependency on the doping level due to electron-electron correlation not accounted in mean-field approaches. Such a dependency influences the dispersion (with respect to the laser energy) of the Raman D and 2D lines and the splitting of the 2D peak in multi-layer graphene. Finally this doping dependence opens the possibility to construct tunable electronic devices through the external control of the EPC.
Efficient control of phonons is crucial to energy-information technology, but limited by the lacking of tunable degrees of freedom like charge or spin. Here we suggest to utilize crystalline symmetry-protected pseudospins as new quantum degrees of freedom to manipulate phonons. Remarkably, we reveal a duality between phonon pseudospins and electron spins by presenting Kramers-like degeneracy and pseudospin counterparts of spin-orbit coupling, which lays the foundation for "pseudospin phononics". Furthermore, we report two types of three-dimensional phononic topological insulators, which give t…
Polarization resolved, Raman scattering response due to E$_{2g}$ phonon in monolayer graphene has been investigated in magnetic fields up to 29 T. The hybridization of the E$_{2g}$ phonon with only the fundamental inter Landau level excitation (involving the n=0 Landau level) is observed and only in one of the two configurations of the circularly crossed polarized excitation and scattered light. This polarization anisotropy of the magneto-phonon resonance is shown to be inherent to relatively strongly doped graphene samples, with carrier concentration typical for graphene deposited on SiO$_2$.
We investigate the electric response of chiral phonons on the low-buckled group-IVA monolayers by performing first-principles calculations. The vertical electric field breaks the degeneracy of phonon modes at high-symmetry $\pm K$ points of the phonon Brillouin zone, and the size of the phononic gap is proportional to the strength of the electric field. The gapped phonon modes at $\pm K$ possess chiralities with considerable phonon circular polarizations and discrete phonon pseudoangular momenta. The chiralities of phonons are robust against the variation of the field strength, but reversed by…
The electron-phonon coupling in potassium-doped graphene on Ir(111) is studied via the renormalization of the pi* band near the Fermi level, using angle-resolved photoemission spectroscopy. The renormalization is found to be fairly weak and almost isotropic, with a mass enhancement parameter of lambda= 0.28(6) for both the K-M and the K-G direction. These results are found to agree well with recent first principles calculations.
We report on a theoretical study of collective electronic excitations in single-layer antimony crystals (antimonene), a novel two-dimensional semiconductor with strong spin-orbit coupling. Based on a tight-binding model, we consider electron-doped antimonene and demonstrate that the combination of spin-orbit effects with external bias gives rise to peculiar plasmon excitations in the mid-infrared spectral range. These excitations are characterized by low losses and negative dispersion at frequencies effectively tunable by doping and bias voltage. The observed behavior is attributed to the spin…
Acoustic and Optical Phonon Frequencies and Acoustic Phonon Velocities in Silicon-Doped Aluminum Nitride Thin Films
University of California, Los Angeles（加州大学洛杉矶分校）；California NanoSystems Institute, University of California, Los Angeles（加州大学洛杉矶分校加利福尼亚纳米系统研究所）；Arizona State University（亚利桑那州立大学）；Auburn University（奥本大学）
Graphene, due to its exceptional properties, is a promising material for nanotechnology applications. In this context, the ability to tune the properties of graphene-based materials and devices with the incorporation of defects and impurities can be of extraordinary importance. Here we investigate the effect of uniaxial tensile strain on the electronic and magnetic properties of graphene doped with substitutional Ni impurities (Ni_sub). We have found that, although Ni_sub defects are non-magnetic in the relaxed layer, uniaxial strain induces a spin moment in the system. The spin moment increas…
We engineer quantum anomalous Hall effect in silicene via doping 3d transition metals. We show that there exists a stable quantum anomalous Hall effect in Vanadium doped silicene using both analytical model and Wannier interpolation. We also predict the quantum valley Hall effect and electrically tunable topological states could be realized in certain transition metal doped silicene where the energy band inversion occurs. Our finding provides new scheme for the realization of quantum anomalous Hall effect and platform for electrically controllable topological states.
We analyze the effect of electron-phonon coupling on photoemission properties and ultrafast response of doped monolayer MoS2. The analysis is based on combined DFT and many-body (Eliashberg theory) approaches. In particular, we have calculated the electronic and phonon spectra, the electron-phonon coupling and the electronic spectral function of the system at different values of doping. We have also analyzed the emissive properties and the response of the system to femtosecond (fs) laser pulses. It is shown that position of the emission peak of undoped system is in agreement with the experimen…
We theoretically study magnon-phonon hybrid excitations (magnon-polarons) in two-dimensional antiferromagnets on a honeycomb lattice. With an in-plane Dzyaloshinskii-Moriya interaction (DMI) allowed from mirror symmetry breaking from phonons, we find non-trivial Berry curvature around the anti-crossing rings among magnon and both optical and acoustic phonon bands, which gives rise to finite Chern numbers. We show that the Chern numbers of the magnon-polaron bands can be manipulated by changing the magnetic field direction or strength. We evaluate the thermal Hall conductivity reflecting the no…
Graphene phonons are measured as a function of electron doping via the addition of potassium adatoms. In the low doping regime, the in-plane carbon G-peak hardens and narrows with increasing doping, analogous to the trend seen in graphene doped via the field-effect. At high dopings, beyond those accessible by the field-effect, the G-peak strongly softens and broadens. This is interpreted as a dynamic, non-adiabatic renormalization of the phonon self-energy. At dopings between the light and heavily doped regimes, we find a robust inhomogeneous phase where the potassium coverage is segregated in…
Gate-tunable high-mobility InSb/In_{1-x}Al_{x}Sb quantum wells (QWs) grown on GaAs substrates are reported. The QW two-dimensional electron gas (2DEG) channel mobility in excess of 200,000 cm^{2}/Vs is measured at T=1.8K. In asymmetrically remote-doped samples with an HfO_{2} gate dielectric formed by atomic layer deposition, parallel conduction is eliminated and complete 2DEG channel depletion is reached with minimal hysteresis in gate bias response of the 2DEG electron density. The integer quantum Hall effect with Landau level filling factor down to 1 is observed. A high-transparency non-all…
We present a comprehensive first-principles analysis of the non-adiabatic effects due to the electron-phonon interaction on the vibrational spectrum of the electron-doped monolayer MoS$_{2}$. Deep changes in the Fermi surface upon doping cause the linewidth broadening of the normal modes governing the spin-conserving inter-valley electronic scattering, which become unstable with the population of all the spin-split conduction valleys. We find that the non-adiabatic spectral effects modify dramatically the adiabatic dispersion of the long-wavelength optical phonon modes, responsible for intra-v…
Driving existing materials to exhibit topologically nontrivial state is of both scientific and technological interests. Using first-principle calculations, we propose the first demonstration of electron doping induced multiple quantum phase transition in a single material of the organometallic framework, HTT-Pt, which has been synthesized by reacting triphenylene hexathiol molecules (HTT) with PtCl2. At low elec-tron doping, the HTT-Pt converts from a normal insulator to a quantum spin Hall (QSH) insulator with time-reversal symmetry (TRS). At high electron doping, the TRS is further broken ma…
We present a tunable phononic crystal which undergoes a phase transition from mechanically insulating to mechanically transmissive (metallic). Specifically, in our simulations for a phononic lattice under biaxial tension ($σ_{xx} =σ_{yy}$ = 0.01 N$/$m), we find a bandgap for out-of-plane phonons in the range of 48.8 - 56.4 MHz, which we can close by increasing the degree of tension uniaxiality ($σ_{xx} / σ_{yy}$) to 1.7. To manipulate the tension distribution, we design a realistic device of finite size, where $σ_{xx} / σ_{yy}$ is tuned by applying a gate voltage to a phononic crystal made fro…
We present a synthesis/processing method for fabricating ferrimagnetic insulator (Bi-doped yttrium iron garnet) thin films with tunable magnetic anisotropy. Since the desired magnetic properties rely on controllable thickness and successful doping, we pay attention to the entire synthesis/processing procedure (nanopowder synthesis, nanocrystalline target preparation and pulsed laser deposition (PLD)). Atomically flat films were deposited by PLD on (111)-orientated yttrium aluminum garnet. We show a significant enhancement of perpendicular anisotropy in the films, caused by strain-induced aniso…
Time- and angle-resolved photoemission measurements on two doped graphene samples displaying different doping levels reveal remarkable differences in the ultrafast dynamics of the hot carriers in the Dirac cone. In the more strongly ($n$-)doped graphene, we observe larger carrier multiplication factors ($>$ 3) and a significantly faster phonon-mediated cooling of the carriers back to equilibrium compared to in the less ($p$-)doped graphene. These results suggest that a careful tuning of the doping level allows for an effective manipulation of graphene's dynamical response to a photoexcitation.
We use first-principles methods to study doped strong ferroelectrics (taking BaTiO$_3$ as a prototype). Here we find a strong coupling between itinerant electrons and soft polar phonons in doped BaTiO$_3$, contrary to Anderson/Blount's weakly coupled electron mechanism for "ferroelectric-like metals". As a consequence, across a polar-to-centrosymmetric phase transition in doped BaTiO$_3$, the total electron-phonon coupling is increased to about 0.6 around the critical concentration, which is sufficient to induce phonon-mediated superconductivity of about 2 K. Lowering the crystal symmetry of d…
Dispersion models describing coupled systems in doped crystals. II. Infrared phonon excitations in GaAs single crystals and phonon-plasmon coupling in Zn-doped GaAs
Masaryk University（马萨里克大学）；Brno University of Technology（布尔诺理工大学）；New Mexico State University（新墨西哥州立大学）；Institute of Physics, Academy of Sciences of the Czech Republic（捷克科学院物理研究所）
We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0 $μ_{\rm{B}}$/carrier in a range of $3\times 10^{13}$/cm$^{2}$-$1\times 10^{14}$/cm$^{2}$ with the system in a half-metal state before the moment starts to descend abruptly. The predicted magnetism originates from an exchange splitting of electronic states at the top of the valence band where the density of states exhibits a sharp van Hove singularity in thi…
We estimate the contribution of the long-wavelength el-TO-ph interaction and discuss the effect it has on electron pairing in doped polar systems like SrTiO3 and PbTe. The analytical and numerical results presented in the study indicate that the el-TO-ph interaction tends to contribute little to the total strength of electron-phonon coupling in these and related materials. To explain this fact we consider possible reasons why the effect of the polar long-wavelength transverse optical phonons on the coupling constant "lambda" is far less than one might suppose.
Diamond is one of the most studied materials because of its unique combination of remarkable electrical, mechanical, thermal and optical properties. Using a fully self-consistent ab initio theory of coupled electron-phonon transport, we reveal another striking behavior: a huge drag enhancement of the thermopower of lightly doped diamond. Thermopower values of around 100,000 microvolts per Kelvin are found at 100 K, significantly exceeding the highest previously measured value in the correlated metal FeSb2, and occurring at much higher temperatures. The enormous thermopower in diamond arises pr…
The mechanisms causing the reduction in lattice thermal conductivity in highly P- and B-doped Si are looked into in detail. Scattering rates of phonons by point defects, as well as by electrons, are calculated from first principles. Lattice thermal conductivities are calculated considering these scattering mechanisms both individually and together. It is found that at low carrier concentrations and temperatures phonon scattering by electrons is dominant and can reproduce the experimental thermal conductivity reduction. However, at higher doping concentrations the scattering rates of phonons by…
We present a comprehensive experimental and theoretical study of phonon scattering by nanoprecipitates in potassium-doped PbTe, PbSe and PbS. We highlight the role of the precipitate size distribution measured by microscopy, whose tuning allows for thermal conductivities lower than the limit achievable with a single size. The correlation between the size distribution and the contributions to thermal conductivity from phonons in different frequency ranges provides a physical basis to the experimentally measured thermal conductivities, and a criterion to estimate the lowest achievable thermal co…
We report an analysis on a phonon spectral function of a solid-state plasma formed in a doped semiconductor. Real and imaginary parts of phonon propagators are evaluated including carrier screening effects within a random phase approximation, and finite-temperature spectral behavior of the phonon spectral function is examined in terms of plasmon--phonon coupled modes and quasiparticle excitation mode of the plasma. The results are applied to the case of conduction electrons in a wurtzite GaN considering carrier-phonon coupling channel via polar optical phonons. We show that the dispersion rela…
The effects of doping on the spectral properties of low doped systems are investigated by means of Coherent Potential Approximation to describe the distributed disorder induced by the impurities and Phonon-Phonon Non-Crossing Approximation to characterize a wide class of electron-phonon interactions which dominate the low-energy spectral features. When disorder and electron-phonon interaction work on comparable energy scales, a strong interplay between them arises, the effect of disorder can no more be described as a mere broadening of the spectral features and the phonon signatures are still …
We report evidence of a non-adiabatic Kohn anomaly in boron-doped diamond, using a joint theoretical and experimental analysis of the phonon dispersion relations. We demonstrate that standard calculations of phonons using density functional perturbation theory are unable to reproduce the dispersion relations of the high-energy phonons measured by high-resolution inelastic x-ray scattering. On the contrary, by taking into account non-adiabatic effects within a many-body field-theoretic framework, we obtain excellent agreement with our experimental data. This result indicates a breakdown of the …
In the field of phononics, periodic patterning controls vibrations and thereby the flow of heat and sound in matter. Bandgaps arising in such phononic crystals realize low-dissipation vibrational modes and enable applications towards mechanical qubits, efficient waveguides, and state-of-the-art sensing. Here, we combine phononics and two-dimensional materials and explore the possibility of manipulating phononic crystals via applied mechanical pressure. To this end, we fabricate the thinnest possible phononic crystal from monolayer graphene and simulate its vibrational properties. We find a ban…
We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly-doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that elec…
We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of anharmonic phonon-phonon interactions with physical models of electron-phonon interactions, we apply our implementation of the coupled BTEs to calculate the thermal conductivity, mobility, Seebeck and Peltier coefficients of n-doped gallium arsenide. The measured low temperature enhancement in the Seebeck coefficient is captured using the solution of the fully co…
Sulfur and nitrogen dual doped graphene have been extensively investigated in the field of oxygen reduction reaction, supercapacitors and batteries, but their magnetic and absorption performance have not been explored. Besides, the effects of doping sequence of sulfur and nitrogen atoms on the morphology, structural property and the corresponding microwave absorption performance of the dual doped graphene remain unexplored. In this work, nitrogen and sulfur dual doped graphene with different doping sequence were successfully prepared using a controllable two steps facile thermal treatment meth…
Doping of semiconductors is essential in modern electronic and photonic devices. While doping is well understood in bulk semiconductors, the advent of carbon nanotubes and nanowires for nanoelectronic and nanophotonic applications raises some key questions about the role and impact of doping at low dimensionality. Here we show that for semiconducting carbon nanotubes, bandgaps and exciton binding energies can be dramatically reduced upon experimentally relevant doping, and can be tuned gradually over a broad range of energies in contrast to higher dimensional systems. The later feature is made…
The photoelectric properties of complex oxides have prompted interest in materials with a tunable band gap, because the absorption The substitution of iron atoms in La-modified bismuth titanate (BLT) can lead to dramatic improvements in the band gap, however, the substitution of iron atoms in BLT without forming a BiFeO3 secondary phase is quite challenging. Therefore, a series of Fe-doped BLT (Fe-BLT) samples were characterized using a solid reaction at various calcination temperatures (300~900°C) to remove the secondary phase. The structural and optical properties were analyzed by X-ray diff…
Compared with direct-gap semiconductors, the valley degeneracy of silicon and germanium opens up new channels for spin relaxation that counteract the spin degeneracy of the inversion-symmetric system. Here the symmetries of the electron-phonon interaction for silicon and germanium are identified and the resulting spin lifetimes are calculated. Room-temperature spin lifetimes of electrons in silicon are found to be comparable to those in gallium arsenide, however, the spin lifetimes in silicon or germanium can be tuned by reducing the valley degeneracy through strain or quantum confinement. The…
Resonance Raman scattering, a very effective and sensitive technique for atomically thin semiconducting transition metal dichalcogenide, can be used to observe the phonons from the entire Brillouin zone. In addition to the significance of resonance effect on the Raman spectrum it may also be used to probe the electron-phonon coupling. Our study is devoted to understand the phonons in layered MoS2, especially for very low frequency range (i.e. below 100 cm-1), as a function of temperature under the resonance effect. Understanding the phonon-phonon and electron-phonon coupling and the effects of…
We study the effects of Kohn anomalies on the superconducting properties in electron- and hole-doped cases of monolayer blue phosphorene, considering both adiabatic and non-adiabatic phonon dispersions using first-principles calculations. We show that the topology of the Fermi surface is crucial for the formation of Kohn anomalies of doped blue phosphorene. By using the anisotropic Eliashberg formalism, we further carefully consider the temperature dependence of the non-adiabatic phonon dispersions. In cases of low hole densities, strong electron-phonon coupling leads to a maximum critical tem…
We show that hole states in recently discovered single-layer InSe are strongly renormalized by the coupling with acoustic phonons. The coupling is enhanced significantly at moderate hole doping ($\sim$10$^{13}$ cm$^{-2}$) due to hexagonal warping of the Fermi surface. While the system remains dynamically stable, its electron-phonon spectral function exhibits sharp low-energy resonances, leading to the formation of satellite quasiparticle states near the Fermi energy. Such many-body renormalization is predicted to have two important consequences. First, it significantly suppresses charge carrie…
We show by first-principles calculations that p-doped graphane is a conventional superconductor with a critical temperature (Tc) above the boiling point of liquid nitrogen. The unique strength of the chemical bonds between carbon atoms and the large density of electronic states at the Fermi energy arising from the reduced dimensionality synergetically push Tc above 90K, and give rise to large Kohn anomalies in the optical phonon dispersions. As evidence of graphane was recently reported, and doping of related materials such as graphene, diamond and carbon nanostructures is well established, su…
We employ time-resolved resonant x-ray diffraction to study the melting of charge order and the associated insulator-metal transition in the doped manganite Pr$_{0.5}$Ca$_{0.5}$MnO$_3$ after resonant excitation of a high-frequency infrared-active lattice mode. We find that the charge order reduces promptly and highly nonlinearly as function of excitation fluence. Density functional theory calculations suggest that direct anharmonic coupling between the excited lattice mode and the electronic structure drive these dynamics, highlighting a new avenue of nonlinear phonon control.
We report the first Raman scattering measurements of BaC$_6$, SrC$_6$, and YbC$_6$, which along with new data on CaC$_6$, permits a systematic study of the phonons and the electron-phonon interaction within the doped graphene layers of these compounds. The out-of-plane carbon phonon softens as the spacing of the graphene layers is reduced in the series BaC$_6$, SrC$_6$, YbC$_6$, and CaC$_6$. This is due to increasing charge in the $π^*$ electronic band. Electron-phonon interaction effects between the in-plane carbon modes at $\approx1500$\invcm and the $π^*$ electrons cause a strong non-adiaba…
In this work, the thermal transport properties of thorium dioxide (ThO$_2$, thoria) with low levels of substitutional uranium (U) doping are explored. We observe strong indications of resonant phonon scattering, an interaction between phonons and electronic degrees of freedom, induced by this doping in addition to common ``impurity'' scattering due to mass and interatomic force constant differences. Uranium doping levels of 6\%, 9\%, and 16\% were studied in a single hydrothermally synthesized U-doped thoria crystal with spatially-varying U doping levels. Within this crystal, isoconcentration …
We present a first-principles study of the magnetotransport phenomena in p-doped diamond via the exact solution of the linearized Boltzmann transport equation, in which the materials' parameters, including electron-phonon and phonon-phonon interactions, are obtained from density functional theory. This approach gives results in very good agreement with experimental data for Hall and drift mobilities, low- and high-field magnetoresistance and Seebeck coefficient, including the phonon-drag effect, in a range of temperatures and carrier concentrations. In particular, our results provide a detaile…
