The Fermi surface of Ba(1-x)K(x)Fe2As2 and its evolution with doping
C. Liu, G. D. Samolyuk, Y. Lee, N. Ni, T. Kondo, A. F. Santander-Syro, S. L. Bud'ko, J. L. McChesney, E. Rotenberg, T. Valla, A. V. Fedorov, P. C. Canfield, B. … 展开作者
C. Liu, G. D. Samolyuk, Y. Lee, N. Ni, T. Kondo, A. F. Santander-Syro, S. L. Bud'ko, J. L. McChesney, E. Rotenberg, T. Valla, A. V. Fedorov, P. C. Canfield, B. N. Harmon, A. Kaminski
We use angle-resolved photoemission spectroscopy (ARPES) to investigate the electronic properties of the newly discovered iron-arsenic superconductor, Ba(1-x)K(x)Fe2As2 and non-supercondcuting BaFe2As2. Our study indicates that the Fermi surface of the undoped, parent compound BaFe$_2$As$_2$ consists of hole pocket(s) at Gamma (0,0) and larger electron pocket(s) at X (1,0), in general agreement with full-potential linearized plane wave (FLAPW) calculations. Upon doping with potassium, the hole pocket expands and the electron pocket becomes smaller with its bottom approaching the chemical potential. Such an evolution of the Fermi surface is consistent with hole doping within a rigid band shift model. Our results also indicate that FLAPW calculation is a reasonable approach for modeling the electronic properties of both undoped and K-doped iron arsenites.
We explore the Matsubara quasiparticle fraction and the pseudogap of the two-dimensional Hubbard model with the dynamical cluster quantum Monte Carlo method. The character of the quasiparticle fraction changes from non-Fermi liquid, to marginal Fermi liquid to Fermi liquid as a function of doping, indicating the presence of a quantum critical point separating non-Fermi liquid from Fermi liquid character. Marginal Fermi liquid character is found at low temperatures at a very narrow range of doping where the single-particle density of states is also symmetric. At higher doping the character of t…
We investigate the asymmetry between electron and hole doping in a 2D Mott insulator, and the resulting competition between antiferromagnetism (AF) and d-wave superconductivity (SC), using variational Monte Carlo for projected wave functions. We find that key features of the T = 0 phase diagram, such as critical doping for SC-AF coexistence and the maximum value of the SC order parameter, are determined by a single parameter which characterises the topology of the "Fermi surface" at half filling defined by the bare tight-binding parameters. Our results give insight into why AF wins for electro…
A detailed and systematic ARPES investigation of the doping-dependence of the normal state Fermi surface (FS) of modulation-free Bi(Pb)2212 is presented. The FS does not change in topology away from hole-like at any stage. The FS area does not follow the usual curve describing Tc vs x for the hole doped cuprates, but is down-shifted in doping by ca. 0.05 holes per Cu site, indicating the consequences of a significant bilayer splitting of the FS across the whole doping range. The strong k-dependence of the FS width is shown to be doping independent. The relative strength of the shadow FS has a …
Fermiology, the shape and size of the Fermi surface, underpins the low-temperature physical properties of a metal. Recent investigations of the Fermi surface of high-Tc superconductors, however, show a most unusual behavior: upon addition of carriers, ``Fermi'' pockets appear around nodal (hole doping) and antinodal (electron doping) regions of the Brillouin zone in the ``pseudogap'' state. With progressive doping, p, these evolve into well-defined Fermi surfaces around optimal doping (p_opt), with no pseudogap. Correspondingly, various physical responses, including d-wave superconductivity, e…
We have performed a systematic doping dependent study of La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) (0.03$\leq x \leq$0.3) by angle-resolved photoemission spectroscopy. In the entire doping range, the underlying ``Fermi surface" determined from the low energy spectral weight approximately satisfies Luttinger's theorem, even down to the lightly-doped region. This is in strong contrast to the result on Ca$_{2-x}$Na$_x$CuO$_2$Cl$_2$ (Na-CCOC), which shows a strong deviation from Luttinger's theorem. The differences between LSCO and Na-CCOC are correlated with the different behaviors of the chemical potential…
A detailed and systematic ARPES investigation of the doping-dependence of the normal state Fermi surface (FS) of modulation-free (Pb,Bi)-2212 is presented. The FS does not change in topology away from hole-like at any stage. The data reveal, in addition, a number of surprises. Firstly the FS area does not follow the usual curve describing Tc vs x for the hole doped cuprates, but is down-shifted in doping by ca. 0.05 holes per Cu site, indicating either the break-down of Luttinger's theorem or the consequences of a significant bi-layer splitting of the FS. Secondly, the strong k-dependence of t…
We used \emph{in-situ} potassium (K) evaporation to dope the surface of the iron-based superconductor FeTe$_{0.55}$Se$_{0.45}$. The systematic study of the bands near the Fermi level confirms that electrons are doped into the system, allowing us to tune the Fermi level of this material and to access otherwise unoccupied electronic states. In particular, we observe an electron band located above the Fermi level before doping that shares similarities with a small three-dimensional pocket observed in the cousin, heavily-electron-doped KFe$_{2-x}$Se$_2$ compound.
Various angle-dependent measurements in hole-doped cuprates suggested that Non-Fermi liquid (NFL) and Fermi-liquid (FL) self-energies coexist in the Brillouin zone. Moreover, it is also found that NFL self-energies survive up to the overdoped region where the resistivity features a global FL-behavior. To address this problem, here we compute the momentum dependent self-energy from a single band Hubbard model. The self-energy is calculated self-consistently by using a momentum-dependent density-fluctuation (MRDF) method. One of our main result is that the computed self-energy exhibits a NFL-lik…
From a combination of high resolution angle-resolved photoemission spectroscopy and density functional calculations, we show that BaFe2As2 possesses essentially two-dimensional electronic states, with a strong change of orbital character of two of the Gamma-centered Fermi surfaces as a function of kz. Upon Co doping, the electronic states in the vicinity of the Fermi level take on increasingly three-dimensional character. Both the orbital variation with kz and the more three-dimensional nature of the doped compounds have important consequences for the nesting conditions and thus possibly also …
We present a numerical study on non-Fermi liquid behaviour of a three dimensional system. The Hubbard model in a cubic lattice is simulated by the dynamical cluster approximation, in particular the quasi-particle weight is calculated at finite dopings for a range of temperatures. Near the putative quantum critical point, we find evidence of a separatrix at a finite doping which separates the Fermi liquid from non-Fermi liquid as the doping increases. Our results suggest that a marginal Fermi liquid and possibly a quantum critical point should exist in the three dimensions interacting Fermi sys…
We report on the direct probing of the Fermi surface in the bulk of the electron-doped superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ at different doping levels by means of magnetoresistance quantum oscillations. Our data reveal a sharp qualitative change in the Fermi surface topology, due to translational symmetry breaking in the electronic system which occurs at a critical doping level significantly exceeding the optimal doping. This result implies that the $(π/a,π/a)$ ordering, known to exist at low doping levels, survives up to the overdoped superconducting regime.
The improved resolution of laser-based angle-resolved photoemission spectroscopy (ARPES) allows reliable access to fine structures in the spectrum. We present a systematic, doping-dependent study of a recently discovered low-energy kink in the nodal dispersion of Bi2Sr2CaCu2O8+d (Bi-2212), which demonstrates the ubiquity and robustness of this kink in underdoped Bi-2212. The renormalization of the nodal velocity due to this kink becomes stronger with underdoping, revealing that the nodal Fermi velocity is non-universal, in contrast to assumed phenomenology. This is used together with laser-ARP…
We report a systematic study of the transport properties in the series of Eu(Fe1-xCox)2As2 single crystals with x = 0, 0.15, 0.20 and 0.30. Spin-density-wave order is observed in the undoped and the least doped samples (x = 0, 0.15), while for x = 0.15 and 0.20 Eu(Fe1-xCox)2As2 becomes a superconductor. We found the properties of the parent EuFe2As2 compound well described by the Dirac fermions model, whereas cobalt doping caused an evolution of the system toward a regular metallic state. The antiferromagnetic ordering of the Eu2+ ions at T_N ~ 20 K has only minor influence on the measured qua…
The discovery of quantum oscillations in the normal-state electrical resistivity of YBa2Cu3O6.5 provides the first evidence for the existence of Fermi surface (FS) pockets in an underdoped cuprate. However, the pockets' electron vs. hole character, and the very interpretation in terms of closed FS contours, are the subject of considerable debate. Angle-resolved photoemission spectroscopy (ARPES), with its ability to probe electronic dispersion as well as the FS, is ideally suited to address this issue. Unfortunately, the ARPES study of YBa2C3O7-d (YBCO) has been hampered by the technique's sur…
We study the doping evolution of the electronic structure in the normal phase of high-$T_c$ cuprates. Electronic structure and Fermi surface of cuprates with single CuO$_2$ layer in the unit cell like La$_{2-x}$Sr$_x$CuO$_4$ have been calculated by the LDA+GTB method in the regime of strong electron correlations (SEC) and compared to ARPES and quantum oscillations data. We have found two critical concentrations, $x_{c1}$ and $x_{c2}$, where the Fermi surface topology changes. Following I.M. Lifshitz ideas of the quantum phase transitions (QPT) of the 2.5-order we discuss the concentration depe…
We synthesized a series of V-doped LiFe$_{1-x}$V$_x$As single crystals. The superconducting transition temperature $T_c$ of LiFeAs decreases rapidly at a rate of 7 K per 1\% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2\% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. W…
The pseudogap phase in the cuprates is a most unusual state of matter: it is a metal, but its Fermi surface is broken up into disconnected segments known as Fermi arcs. Using angle resolved photoemission spectroscopy, we show that the anisotropy of the pseudogap in momentum space and the resulting arcs depend only on the ratio T/T*(x), where T*(x) is the temperature below which the pseudogap first develops at a given hole doping x. In particular, the arcs collapse linearly with T/T* and extrapolate to zero extent as T goes to 0. This suggests that the T = 0 pseudogap state is a nodal liquid, a…
Doping evolution of the Fermi surface topology of Na$_x$CoO$_2$ is studied systematically. Both local density approximation (LDA) and local spin density approximation (LSDA) predict a large Fermi surface as well as small hole pockets for doping levels $x\sim$ 0.5. In contrast, the hole pockets are completely absent for all doping levels within LSDA+U. More importantly, we find no violation of Luttinger's rule in this system, contrary to a recent suggestion. The measured Fermi surface of Na$_{0.7}$CoO$_2$ can be explained by its half-metallic behavior and agrees with our LSDA+U calculations.
The Seebeck coefficient $S$ of the cuprate superconductor La$ _{2-x} $Sr$_{x} $CuO$ _{4}$ (LSCO) was measured in magnetic fields large enough to access the normal state at low temperatures, for a range of Sr concentrations from $x = 0.07$ to $x = 0.15$. For $x = 0.11$, 0.12, 0.125 and 0.13, $S/T$ decreases upon cooling to become negative at low temperatures. The same behavior is observed in the Hall coefficient $R_{H}(T)$. In analogy with other hole-doped cuprates at similar hole concentrations $p$, the negative $S$ and $R_{H}$ show that the Fermi surface of LSCO undergoes a reconstruction cau…
Fermi surface models applied to the underdoped cuprates predict the small pocket area to be strongly dependent on doping whereas quantum oscillations in YBa2Cu3O6+x find precisely the opposite to be true; seemingly at odds with the Luttinger volume. We show that such behavior can be explained by an incommensurate antinodal Fermi surface nesting-type instability; further explaining the doping-dependent superstructures seen in cuprates using scanning tunneling microscopy. We develop a Fermi surface reconstruction scheme involving orthogonal density waves in two-dimensions and show that their inc…
We discuss evolution of the Fermi surface (FS) topology with doping in electron doped cuprates within the framework of a one-band Hubbard Hamiltonian, where antiferromagnetism and superconductivity are assumed to coexist in a uniform phase. In the lightly doped insulator, the FS consists of electron pockets around the $(π,0)$ points. The first change in the FS topology occurs in the optimally doped region when an additional hole pocket appears at the nodal point. The second change in topology takes place in the overdoped regime ($\sim18%$) where antiferromagnetism disappears and a large $(π,π)…
By use of the slave-boson mean-field approach, we have studied the electron-doped t-t'-t''-J model in the antiferromagnetic (AF) state. It is found that at low doping the Fermi surface (FS) pockets appear around $(\pmπ,0)$ and $(0,\pmπ)$, and upon increasing doping the other ones will form around $(\pm{π\over 2},\pm{π\over 2})$. The evolution of the FS with doping as well as the calculated spectral weight are consistent with the experimental results.
We have performed angle-resolved photoemission and core-level x-ray photoemission studies of the single-layer cuprate Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+δ}$ (Bi2201) and revealed the doping evolution of the electronic structure from the lightly-doped to optimally-doped regions. We have observed the formation of the dispersive quasi-particle band, evolution of the Fermi ``arc'' into the Fermi surface and the shift of the chemical potential with hole doping as in other cuprates. The doping evolution in Bi2201 is similar to that in Ca$_{2-x}$Na$_{x}$CuO$_{2}$Cl$_2$ (Na-CCOC), where a rapid chemical po…
The topology of the Fermi surface of an extended $d-p$ Hubbard model is investigated using the Green's function technique in a n-pole approximation. The effects of the $d-p$ hybridization on the Fermi surface are the main focus in the present work. Nevertheless, the effects of doping, Coulomb interaction and hopping to second-nearest-neighbors on the Fermi surface, are also studied. Particularly, it is shown that the crossover from hole-like to electron-like Fermi surface (Lifshitz transition) is deeply affected by the $d-p$ hybridization. Moreover, the pseudogap present in the low doping regi…
In this paper a mean-field theory for the spin-liquid paramagnetic non-superconducting phase of the p- and n-type High-$T_c$ cuprates is developed. This theory applied to the effective $t-t'-t''-J^*$ model with the {\it ab initio} calculated parameters and with the three-site correlated hoppings. The static spin-spin and kinematic correlation functions beyond Hubbard-I approximation are calculated self-consistently. The evolution of the Fermi surface and band dispersion is obtained for the wide range of doping concentrations $x$. For p-type systems the three different types of behavior are fou…
We report a systematic study of electron doping of Sr2RuO4 by non-isovalent substitution of La^(3+) for Sr^(2+). Using a combination of de Haas-van Alphen oscillations, specific heat, and resistivity measurements, we show that electron doping leads to a rigid-band shift of the Fermi level corresponding to one doped electron per La ion, with constant many-body quasiparticle mass enhancement over the band mass. The susceptibility spectrum is substantially altered and enhanced by the doping but this has surprisingly little effect on the strength of the unconventional superconducting pairing.
We report Raman measurements on Bi2Sr2CaCu2O8+d single crystals which allow us to quantitavely evaluate the doping dependence of the density of Cooper pairs in the superconducting state. We show that the drastic loss of Cooper pairs in the antinodal region as the doping level is reduced, is concomitant with a deep alteration of the quasiparticles dynamic above Tc and consistent with a pseudogap which competes with superconductivity. Our data also reveal that the overall density of Cooper pairs evolves with doping, distinctly from the superfluid density above the doping level pc=0.2.
We have analyzed experimental evidence for an anomalous transfer of spectral weight from high to low energy scales in both electron and hole doped cuprates as a function of doping. X-ray scattering, optical and photoemission spectra are all found to show that the high energy spectral weight decreases with increasing doping at a rate much faster than predictions of the large $U-$limit calculations. The observed doping evolution is however well-described by an intermediate coupling scenario where the effective Hubbard $U$ is comparable to the bandwidth. The experimental spectra across various sp…
We investigate the pairing symmetry in heavily overdoped Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$ based on the spin-fluctuation mechanism. The exotic octet nodes of the superconducting gap and the unusual evolution of the gap with doping observed by the recent experiments are well explained in a unified manner. We demonstrate that the scatterings of electrons on the Fermi patches is mainly responsible for the incommensurate spin fluctuations and consequently the Fermi-surface-dependent multi-gap structure, since the Fermi level is close to the flat band. In addition, we find that a $d$-wave pairing s…
We report the observation of a change in Fermi surface topology of Bi2Sr2CaCu2O8 with doping. By collecting high statistics ARPES data from moderately and highly overdoped samples and dividing the data by the Fermi function, we answer a long standing question about the Fermi surface shape of Bi2Sr2CaCu2O8 close to the (pi,0) point. For moderately overdoped samples (Tc=80K) we find that both the bonding and antibonding sheets of the Fermi surface are hole-like. However for a doping level corresponding to Tc=55K we find that the antibonding sheet becomes electron-like. This change does not direc…
A superconducting (SC) state (Tc ~ 4.2K) has very recently been observed upon successful doping of the CDW ordered triangular lattice TiSe$_2$, with copper. Using high resolution photoemission spectroscopy we identify, for the first time, the momentum space locations of the doped electrons that form the Fermi sea of the parent superconductor. With doping, we find that the kinematic nesting volume increases whereas the coherence of the CDW order sharply drops. In the superconducting doping, we observe the emergence of a large density of states in the form of a narrow electron pocket near the \t…
By comparing single-particle spectral functions of t-J and Hubbard models with recent angle-resolved photoemission (ARPES) results for LSCO and Nd-LSCO, we can decide where holes go as a function of doping, and more specifically, which type of stripe (bond-, site-centered) is present in these materials at a given doping. For dopings greater than about 12% our calculation shows furthermore that the holes prefer to proliferate out of the metallic stripes into the neighboring antiferromagnetic domains. The spectra were calculated by a cluster perturbation technique, for which we present an altern…
The total spectral weight \textit{S} of the emergent low-energy quasipaticles in high-temperature superconductors is explored by x-ray absorption spectroscopy. In order to examine the applicability of the Hubbard model, regimes that cover from zero doping to overdoping are investigated. In contrast to mean field theory, we found that \textit{S} deviates from linear dependence on the doping level \textit{p}. The slope of \textit{S} versus \textit{p} changes continuously throughout the whole doping range with no sign of saturation up to \textit{p} = 0.23. Therefore, the picture of Zhang-Rice sin…
The Cu substitution effect on the superconductivity of LiFeAs has been studied in comparison with Co/Ni substitution. It is found that the shrinking rate of the lattice parameter c for Cu substitution is much smaller than that of Co/Ni substitution. This is in conjugation with the observation of ARPES that shows almost the same electron and hole Fermi surfaces (FSs) size for undoped and Cu substituted LiFeAs sample except for a very small hole band sinking below Fermi level with doping, indicating little doping effect at Fermi surface by Cu substitution, in sharp contrast to the much effective…
The doping and energy evolution of the magnetic excitations of the electron-doped cuprate superconductor Pr$_{0.88}$LaCe$_{0.12}$CuO$_{4-δ}$ in the superconducting state is studied based on the kinetic energy driven superconducting mechanism. It is shown that there is a broad commensurate scattering peak at low energy, then the resonance energy is located among this low energy commensurate scattering range. This low energy commensurate scattering disperses outward into a continuous ring-like incommensurate scattering at high energy. The theory also predicts a dome shaped doping dependent reson…
We study the systematic doping evolution of nodal dispersions by in-situ angle-resolved photoemission spectroscopy on the continuously doped surface of a high-temperature superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$. We reveal that the nodal dispersion has three segments separated by two kinks, located at ~10 meV and roughly 70 meV, respectively. The three segments have different band velocities and different doping dependence. In particular, the velocity of the high-energy segment increases monotonically as the doping level decreases and can even surpass the bare band velocity. We propose tha…
We report an angle-resolved photoemission investigation of optimally-doped Ca$_{0.33}$Na$_{0.67}$Fe$_2$As$_2$. The Fermi surface topology of this compound is similar to that of the well-studied Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ material, except for larger hole pockets resulting from a higher hole concentration per Fe atoms. We find that the quasi-nesting conditions are weakened in this compound as compared to Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$. As with Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ though, we observe nearly isotropic superconducting gaps with Fermi surface-dependent magnitudes. A small variation …
Detailed doping dependence of the electronic specific heat coefficient gamma is studied for La2-xSrxCuO4 (LSCO) single crystals in the slightly-doped regime. We find that gamma systematically increases with doping, and furthermore, even for the samples in the antiferromagnetic (AF) regime, gamma already acquires finite value and grows with x. This suggests that finite electronic density of states (DOS) is created in the AF regime where the transport shows strong localization at low temperatures, and this means the system is not a real insulator with a clear gap even though it still keeps long …
The Fermi surface (FS) of an extended $d-p$ Hubbard model is investigated by a two-pole approximation in both situations with hole and electron doping. Using the factorization procedure proposed by Beenen and Edwards, superconductivity with singlet $d_{x^2-y^2}$-wave pairing is considered. The effects of the $d-p$ hybridization on the FS are the main focus in the present work. Nevertheless, the asymmetries between the hole- and electron-doped regimes and the effects of doping and Coulomb interaction on FS are also investigated. Particularly, it is shown that the crossover from hole-like to ele…
Employing the four-band tight-binding model we study theoretically the doping dependence of the spin response in the normal state of novel Fe-based pnictide superconductors. We show that the commensurate spin density wave (SDW) transition that arises due to interband scattering between the hole $α$-pockets and the electron $β$-pockets disappears already at the doping concentration $x \approx 0.04$ reflecting the evolution of the Fermi surfaces. Correspondingly, with further increase of the doping the antiferromagnetic fluctuations are suppressed for $x > 0.1$ and the Im$χ({\bf Q_{AFM}},ω)$ bec…
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture, the density of states at the Fermi energy is only weakly doping dependent and that the main effect of doping is a change in the relative sizes of the electron and hole Fermi surfaces as required by Luttinger's theory. This is a consequence of a change in As height with doping, in particular a shift of As towards Fe as holes are introduced in the Fe plane, as…
We present an angle resolved photoemission (ARPES) doping dependence study of the n-type cuprate superconductor Nd_2-xCe_xCuO_4, from the half-filled Mott-insulator to the T_c=24K superconductor. In Nd2CuO4, we reveal the charge-transfer band (CTB) for the first time. As electrons are doped into the system, this feature's intensity decreases with the concomitant formation of near-E_F spectral weight. At low doping, the Fermi surface is an electron-pocket (with volume ~ x) centered at (pi,0). Further doping leads to the creation of a new hole-like Fermi surface (volume ~ 1+x) centered at (pi,pi…
We report the doping-induced antiferromagnetic state and Fermi liquid state that are connected by a superconducting region in a series of CeIrIn$_{5-x}$Hg$_x$, CeIrIn$_{5-x}$Sn$_x$ and CeIr$_{1-x}$Pt$_x$In$_5$ single crystals. Measurements of the specific heat $C(T)$ and electrical resistivity $ρ(T)$ demonstrate that hole doping via Hg/In substitution gives rise to an antiferromagnetic ground state, but substitutions of In by Sn or Ir by Pt (electron doping) favor a paramagnetic Fermi liquid state. A cone-like non-Fermi liquid region is observed near CeIrIn$_5$, showing a diverging effective m…
Effects of electron correlation on the Fermi surface is investigated for the two-dimensional Hubbard model by the quantum Monte Carlo method. At first, an infinitesimal doping from the half filling is focused on and the momentum dependent charge susceptibility $κ(k)=\frac {dn(k)}{dμ}$ is calculated at a finite temperature. At the temperature $T \sim \frac {t^2} U$, it shows peak structure at $(\pm π/2,\pm π/2)$ on the Fermi surface (line). It is consistent with the mean-field prediction of the d-wave pairing state or the staggerd flux state. This momentum dependent structure disappears at the …
We consider the implications of a phenomenological model self-energy for the charge transport properties of the metallic phase of the overdoped cuprate superconductors. The self-energy is the sum of two terms with characteristic dependencies on temperature, frequency, location on the Fermi surface, and doping. The first term is isotropic over the Fermi surface, independent of doping, and has the frequency and temperature dependence characteristic of a Fermi liquid. The second term is anisotropic over the Fermi surface (vanishing at the same points as the superconducting energy gap), strongly v…
We consider a model self-energy consisting of an isotropic Fermi liquid term and a Marginal Fermi liquid term which is anisotropic over the Fermi surface, vanishing in the same directions as the superconducting gap and the pseudogap. This model self-energy gives a consistent description of experimental results from Angle-Dependent Magneto-Resistance (ADMR), specific heat, de Haas-van Alphen, and measurements of the quasi-particle dispersion near the Fermi surface from photoemission. In particular, we reconcile the strongly doping dependent anomalous scattering rate observed in ADMR with the al…
We study the doping evolution of the electronic structure in the pseudogap state of high-Tc cuprate superconductors, by means of a cluster extension of the dynamical mean-field theory applied to the two-dimensional Hubbard model. The calculated single-particle excitation spectra in the strongly underdoped regime show a marked electron-hole asymmetry and reveal a "s-wave" pseudogap, which display a finite amplitude in all the directions in the momentum space but not always at the Fermi level: The energy location of the gap strongly depends on momentum, and in particular in the nodal region, it …
The Fermi surface (FS) of Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) predicted by band theory displays Bi-related pockets around the $(π,0)$ point, which have never been observed experimentally. We show that when the effects of hole doping either by substituting Pb for Bi or by adding excess O in Bi2212 are included, the Bi-O bands are lifted above the Fermi energy ($E_F$) and the resulting first-principles FS is in remarkable accord with measurements. With decreasing hole-doping the Bi-O bands drop below $E_F$ and the system self-dopes below a critical hole concentration. Computations on other Bi…
High-temperature superconductors at zero doping can be considered strongly correlated two-dimensional Mott insulators. The understanding of the connection between the superconductor and the Mott insulator hits at the heart of the high-temperature superconducting mechanism. In this paper we investigate the zero-temperature doping-driven evolution of a superconductor towards the Mott insulator in a two dimensional electron model, relevant for high temperature superconductivity. To this purpose we use a cluster extension of dynamical mean field theory. Our results show that a standard (BCS) d-wav…
We use inelastic neutron scattering to study the evolution of the generalized phonon density of states (GDOS) of the $n$-type high-$T_c$ superconductor Nd$_{2-x}$Ce$_x$CuO$_{4+δ}$ (NCCO), from the half-filled Mott-insulator ($x=0$) to the $T_c=24$ K superconductor ($x=0.15$). Upon doping the CuO$_2$ planes in Nd$_2$CuO$_{4+δ}$ (NCO) with electrons by Ce substitution, the most significant change in the GDOS is the softening of the highest phonon branches associated with the Cu-O bond stretching and out-of-plane oxygen vibration modes. However, the softening occurs within the first few percent o…
We perform an orthogonal basis tight binding fit to an LAPW calculation of paramagnetic Na$_x$CoO$_2$ for several dopings. The optimal position of the apical oxygen at each doping is resolved, revealing a non-trivial dependence of the band structure and Fermi surface on oxygen height. We find that the small e$_{g'}$ hole pockets are preserved throughout all investigated dopings and discuss some possible reasons for the lack of experimental evidence for these Fermi sheets.
The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy calculations. We found Ba doping induces a quasi-rigid displacement of Cu d$_{x^{2}-y^{2}}$ and d$_{z^{2}}$ bands toward higher energies. This effect generates important changes in the Fermi surface topology, which manage to imitate the ARPES momentum distribution map (MDM) measurements and tight-binding calculations recently reported for doped La-based cuprates. The …
The evolution of Ca$_{2-x}$Na$_{x}$CuO$_{2}$Cl$_{2}$ from Mott insulator to superconductor was studied using angle-resolved photoemission spectroscopy. By measuring both the excitations near the Fermi energy as well as non-bonding states, we tracked the doping dependence of the electronic structure and the chemical potential with unprecedented precision. Our work reveals failures in the conventional quasiparticle theory, including the broad lineshapes of the insulator and the apparently paradoxical shift of the chemical potential within the Mott gap. To resolve this, we develop a model where t…
We report ab-plane Hall Effect and magnetoresistivity measurements on La2-xCexCuO4 thin films as a function of doping for magnetic fields up to 14T and temperatures down to 1.8K. A dramatic change in the low temperature (1.8 K) normal state Hall coefficient is found near a doping Ce=0.14. This, along with a nonlinear Hall resistance as a function of magnetic field, suggests that the Fermi surface reconstructs at a critical doping of Ce= 0.14. A competing antiferromagnetic phase is the likely cause of this Fermi surface reconstruction. Low temperature linear-in-T resistivity is found at Ce=0.14…
We study magnetotransport properties of the electron-doped superconductor Pr$_{2-x}$Ce$_x$CuO$_{4\pmδ}$ with $x$ = 0.14 in magnetic fields up to 92~T, and observe Shubnikov de-Haas magnetic quantum oscillations. The oscillations display a single frequency $F$=255$\pm$10~T, indicating a small Fermi pocket that is $\sim$~1\% of the two-dimensional Brillouin zone and consistent with a Fermi surface reconstructed from the large hole-like cylinder predicted for these layered materials. Despite the low nominal doping, all electronic properties including the effective mass and Hall effect are consist…
By paying special attention to the fact that the doped holes induce deformation of CuO6 octahedrons (or CuO5 pyramids) in cuprate superconductors, we develop a non-rigid band theory treating doping-induced alterations of energy-band structures in copper oxide superconductors. Thanks to this theory, we obtain a complete picture of the doping-induced alteration in the electronic structure of La2CuO4, from the spin-disordered insulating phase to the metallic phase. We conclude that the Fermi surface structure of this cuprate in the underdoped region consists of Fermi pockets in the antinodal regi…
Fermiology of various 122 systems are studied through first principles simulation. Electron doping causes expansion of electron and shrinkage of hole Fermi pockets. Isovalent Ru substitution (upto 35%) makes no visible modification in the electron and hole like FSs providing no clue regarding the nature of charge carrier doping. However, in case of 32% P doping there are considerable changes in the hole Fermi surfaces (FSs). From our calculations, it is very clear that two dimensionality of FSs may favour electron pair scattering between quasi-nested FSs which has important bearings in various…
High resolution laser-based angle-resolved photoemission measurements were carried out on an overdoped $Bi_2Sr_2CaCu_2O_{8+δ}$ superconductor with a Tc of 75 K. Two Fermi surface sheets caused by bilayer splitting are clearly identified with rather different doping levels: the bonding sheet corresponds to a doping level of 0.14 which is slightly underdoped while the antibonding sheet has a doping of 0.27 that is heavily overdoped, giving an overall doping level of 0.20 for the sample. Different superconducting gap sizes on the two Fermi surface sheets are revealed for the first time. The super…
