用具有有效耦合常数$α_{eff}\approx2$的大极化子气体解释了最近关于铌掺杂SrTiO $_{3}$的光学电导率的实验数据。理论方法考虑了多体效应、多支LO声子的电子-声子相互作用、Ti t $_{2g}$导带的简并性和各向异性。{基于Fröhlich相互作用的多体大极化子理论}提供了对所观察到的SrTi $_{1-x}$ Nb $_{x}$ O $_{3}$ \textit{without}材料参数的任何调整的光导谱的基本特征的解释，除了-有趣的-在$\sim130$ meV处的峰的意外大强度之外。
英文摘要：
Recent experimental data on the optical conductivity of niobium doped SrTiO$_{3}$ are interpreted in terms of a gas of large polarons with effective coupling constant $α_{eff}\approx2$. The {theoretical approach takes into account} many-body effects, the electron-phonon interaction with multiple LO-phonon branches, and the degeneracy and the anisotropy of the Ti t$_{2g}$ conduction band. {Based on the Fröhlich interaction, the many-body large-polaron theory} provides an interpretation for the essential characteristics, except -- interestingly -- for the unexpectedly large intensity of a peak at $\sim130$ meV, of the observed optical conductivity spectra of SrTi$_{1-x}$Nb$_{x}$O$_{3}$ \textit{without} any adjustment of material parameters.
In materials with strong electron-phonon ($e$-ph) interactions, the electrons carry a phonon cloud during their motion, forming quasiparticles known as polarons. Predicting charge transport and its temperature dependence in the polaron regime remains an open challenge. Here, we present first-principles calculations of charge transport in a prototypical material with large polarons, SrTiO$_{3}$. Using a cumulant diagram-resummation technique that can capture the strong $e$-ph interactions, our calculations can accurately predict the experimental electron mobility in SrTiO$_{3}$ between 150$-$30…
We present evidence of a drastic renormalization of the optical conductivity of graphene on SrTiO$_3$ resulting in almost full transparency in the ultraviolet region. These findings are attributed to resonant excitonic effects further supported by \emph{ab initio} Bethe-Salpeter equation and density functional theory calculations. The ($π$,$π$*)-orbitals of graphene and Ti-3\textit{d} $t_{2g}$ orbitals of SrTiO$_3$ are strongly hybridized and the interactions of electron-hole states residing in those orbitals play dominant role in the graphene optical conductivity. These interactions are prese…
In condensed matter physics the quasi two-dimensional electron gas at the interface of two different insulators, polar LaAlO3 on non-polar SrTiO3 (LaAlO3/SrTiO3) is a spectacular and surprising observation. This phenomenon is LaAlO3 film thickness-dependent and may be explained by the polarization catastrophe model, in which a charge transfer of 0.5 electron from the LaAlO3 film into the LaAlO3/SrTiO3 interface is expected. Here we show that in conducting samples (more than 4 unit cells of LaAlO3) there is indeed a 0.5 electron transfer from LaAlO3 into the LaAlO3/SrTiO3 interface by studying …
YTiO3, as a prototypical Mott insulator, has been the subject of numerous experimental investigations of its electronic structure. The onset of absorption in optical conductivity measurements has generally been interpreted to be due to interband transitions at the fundamental gap. Here we re-examine the electronic structure of YTiO3 using density functional theory with either a Hubbard correction (DFT+U) or a hybrid functional. Interband transitions turn out to be much higher in energy than the observed onset of optical absorption. However, in case of $p$-type doping, holes tend to become self…
We present the first study of thermal conductivity in superconducting SrTi$_{1-x}$Nb$_{x}$O$_{3}$, sufficiently doped to be near its maximum critical temperature. The bulk critical temperature, determined by the jump in specific heat, occurs at a significantly lower temperature than the resistive T$_{c}$. Thermal conductivity, dominated by the electron contribution, deviates from its normal-state magnitude at bulk T$_{c}$, following a Bardeen-Rickayzen-Tewordt (BRT) behavior, expected for thermal transport by Bogoliubov excitations. Absence of a T-linear term at very low temperatures rules out…
We report measurements of the thermal Hall effect in single crystals of both pristine and isotopically substituted strontium titanate. We discovered a two orders of magnitude difference in the thermal Hall conductivity between $SrTi^{16}O_3$ and $^{18}O$-enriched $SrTi^{18}O_3$ samples. In most temperature ranges, the magnitude of thermal Hall conductivity ($κ_{xy}$) in $SrTi^{18}O_3$ is proportional to the magnitude of the longitudinal thermal conductivity ($κ_{xx}$), which suggests a phonon-mediated thermal Hall effect. However, they deviate in the temperature of their maxima, and the therma…
We investigate the effect of local electron-phonon coupling on nonlinear optical conductivity in an interacting ferroelectric system. Using real-time simulations, we show an enhancement in nonlinear conductivity under linearly-polarized light due to generation of the phonon-assisted ballistic-current in addition to the injection-current generated by electron-hole pairs. The optically excited phonon modes generate an asymmetric carrier distribution that causes a strong directional ballistic-current. The ballistic-current enhances the photocurrent several times at above band-gap excitation frequ…
Polaron relaxation and hopping conductivity in LaMn$_{1-x}$Fe$_{x}$O$_3$
研究了LaMn $_{1-x}$ Fe $_{x}$ O $_3$（0 $\leq x \leq$ 1.0）样品的直流和交流输运性质以及电模量谱。体直流电阻率示出了与在低温下的可变范围跳跃机制和在高温下的Arrhenius机制一致的温度变化。已经发现，在有限的温度和频率范围内，交流电导率遵循幂律行为，其中安德森局域化在所有组合物的传输机制中起着重要作用。在低温下，所有组合物的大直流电阻率和介电弛豫行为与载流子的极化性质一致。缩放的模量谱表明，电荷传输动力学是独立的温度为一个特定的组合物，但强烈依赖于不同的组合物可能是由于不同的载流子浓度和结构特性。
Optical conductivity of an interacting polaron gas is calculated within an extended random phase approximation which takes into account mixing of collective excitations of the electron gas with LO phonons. This mixing is important for the optical response of strongly polar crystals where the static dielectric constant is rather high: strontium titanate is the case. The present calculation sheds light on unexplained features of experimentally observed optical conductivity spectra in $n$-doped SrTiO$_{3}$. These features appear to be due to dynamic screening of the electron-electron interaction …
We analyze a minimal model of SrTiO3, such as has been historically used to analyze the superconducting state. Treating the electron-phonon and electron-electron interactions on an equal footing, we calculate the normal state properties, focusing on the spectral function. We find a density-driven crossover caused mostly by the adiabaticity of the bosonic modes, but the spectral features of our theory are dominated by coupled plasmon-phonon oscillations rather than the bare phonon features seen in experiment.
A comprehensive picture of polaron and bipolaron physics is essential to understand the optical absorption spectrum in many materials with electron-phonon interactions. In particular, the finite-temperature properties are of interest since they play an important role in many experiments. Here, we combine the parallel two-site time-dependent variational principle algorithm (p2TDVP) with local basis optimization (LBO) and purification to calculate time-dependent current-current correlation functions. From this information, we extract the optical conductivity for the Holstein polaron and bipolaro…
We present the first approximation free diagrammatic Monte Carlo study of a lattice polaron interacting with an acoustic phonon branch through the deformation potential. Weak and strong coupling regimes are separated by a self-trapping region where quantum resonance between various possible lattice deformations is seen in the ground state properties, spectral function, and optical conductivity. The unique feature of such polaron is the interplay between long- and short wavelength acoustic vibrations creating a composite phonon cloud and leading to persistent self-trapping due to the existence …
A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the intermediate electron-phonon coupling regime characteristic of large polarons, the approach takes into account on the same footing polaron formation and polaron-polaron correlations which play a relevant role going from low to high charge densities. Including fluctuations on top of the variational approach, the electronic spectral function is calculated from the w…
Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO$_3$(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO$_3$/SrTiO$_3$ interface, our angle-resolved photoemission data show replica bands separated by 100\,meV from the main bands. This …
Reflectivity as a function of temperature for the La$_{0.67}$Ca$_{0.33}$MnO$_{3}$ (LCMO) film has been measured across the metal-insulator phase transition. The optical properties and their temperature dependence were determined in the infrared and visible range by fits to a Drude-Lorentz model, using exact formula for the thin film optics and the measured properties of the substrate. The phonon modes were identified and verified with lattice dynamical calculations for the ideal and distorted perovskite structure of the material. The optical conductivity shows agreement with the double exchang…
