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Full-Text Articles in Physics

Raising Bi-O Bands Above The Fermi Energy Level Of Hole-Doped Bi₂Sr₂Cacu₂O₈+Δ And Other Cuprate Superconductors, Hsin Lin, S. Sahrakorpi, R. S. Markiewicz, A. Bansil Apr 2012

Raising Bi-O Bands Above The Fermi Energy Level Of Hole-Doped Bi₂Sr₂Cacu₂O₈+Δ And Other Cuprate Superconductors, Hsin Lin, S. Sahrakorpi, R. S. Markiewicz, A. Bansil

Hsin Lin

The Fermi surface (FS) of Bi₂Sr₂CaCu₂O₈₊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 (EF) and the resulting first-principles FS is in remarkable accord with measurements. With decreasing hole doping the Bi-O bands drop below EF and the system self-dopes below a critical hole concentration. Computations on other Bi- as well as Tl- and Hg-based compounds indicate …


Role Of Oxygen Electrons In The Metal-Insulator Transition In The Magnetoresistive Oxide La2-2xsr1+2xmn2o7 Probed By Compton Scattering, B. Barbiellini, A. Koizumi, P. E. Mijnarends, W. Al-Sawai, Hsin Lin, T. Nagao, K. Hirota, M. Itou, Y. Sakurai, A. Bansil Apr 2012

Role Of Oxygen Electrons In The Metal-Insulator Transition In The Magnetoresistive Oxide La2-2xsr1+2xmn2o7 Probed By Compton Scattering, B. Barbiellini, A. Koizumi, P. E. Mijnarends, W. Al-Sawai, Hsin Lin, T. Nagao, K. Hirota, M. Itou, Y. Sakurai, A. Bansil

Hsin Lin

We have studied the [100]-[110] anisotropy of the Compton profile in the bilayer manganite. Quantitative agreement is found between theory and experiment with respect to the anisotropy in the two metallic phases (i.e., the low temperature ferromagnetic and the colossal magnetoresistant phase under a magnetic field of 7 T). Robust signatures of the metal-insulator transition are identified in the momentum density for the paramagnetic phase above the Curie temperature. We interpret our results as providing direct evidence for the transition from the metalliclike to the admixed ionic-covalent bonding accompanying the magnetic transition. The number of electrons involved in this phase …


Spectral Decomposition And Matrix Element Effects In Scanning Tunneling Spectroscopy Of Bi₂Sr₂Cacu₂O₈₊Δ, Jouko Nieminen, Ilpo Suominen, R. S. Markiewicz, Hsin Lin, A. Bansil Apr 2012

Spectral Decomposition And Matrix Element Effects In Scanning Tunneling Spectroscopy Of Bi₂Sr₂Cacu₂O₈₊Δ, Jouko Nieminen, Ilpo Suominen, R. S. Markiewicz, Hsin Lin, A. Bansil

Hsin Lin

We present a Green’s function-based framework for modeling the scanning tunneling spectrum from the normal as well as the superconducting state of complex materials where the nature of the tunneling process—i.e., the effect of the tunneling “matrix element,” is properly taken into account. The formalism is applied to the case of optimally doped Bi₂Sr₂CaCu2=₂O8+δ (Bi2212) high-Tc superconductor using a large tight-binding basis set of electron and hole orbitals. The results show clearly that the spectrum is modified strongly by the effects of the tunneling matrix element and that it is not a simple replica of the local density of states …


One-Band Tight-Binding Model Parametrization Of The High-Tc Cuprates Including The Effect Of Kz Dispersion, R. S. Markiewicz, S. Sahrakorpi, M. Lindroos, Hsin Lin, A. Bansil Apr 2012

One-Band Tight-Binding Model Parametrization Of The High-Tc Cuprates Including The Effect Of Kz Dispersion, R. S. Markiewicz, S. Sahrakorpi, M. Lindroos, Hsin Lin, A. Bansil

Hsin Lin

We discuss the effects of interlayer hopping and the resulting kz dispersion in the cuprates within the framework of the one-band tight-binding model Hamiltonian. Specific forms of the dispersion relations in terms of the in-plane hopping parameters t, t′, t″, and t‴ and the effective interlayer hopping tz in La₂₋ₓSrₓCuO₄ (LSCO) and Nd₂₋ₓCeₓCuO₄ (NCCO) and the added intracell hopping tbi between the CuO₂ bilayers in Bi₂Sr₂CaCu₂O₈ (Bi2212) are presented. The values of the “bare” parameters are obtained via fits with the first-principles local-density-approximation- (LDA-) based band structures in LSCO, NCCO, and Bi2212. The corresponding “dressed” parameter sets which account for …


Effect Of Hole Doping On The Electronic Structure Of Tl2201, S. Sahrakorpi, Hsin Lin, R. S. Markiewicz, A. Bansil Apr 2012

Effect Of Hole Doping On The Electronic Structure Of Tl2201, S. Sahrakorpi, Hsin Lin, R. S. Markiewicz, A. Bansil

Hsin Lin

We discuss doping dependencies of the electronic structure and Fermi surface of the monolayer Tl$_{2-x}$Cu$_x$Ba$_2$CuO$_{6+\delta}$ (Tl2201). The TlO bands are found to be particularly sensitive to doping in that these bands rapidly move to higher energies as holes are added into the system. Such doping effects beyond the rigid band picture should be taken into account in analyzing and modeling the electronic spectra of the cuprates.


Proposal To Determine The Fermi-Surface Topology Of A Doped Iron-Based Superconductor Using Bulk-Sensitive Fourier-Transform Compton Scattering, Yung Wang, Hsin Lin, B. Barbiellini, P. Mijnarends, S. Kaprzyk, R. Markiewicz, A. Bansil Apr 2012

Proposal To Determine The Fermi-Surface Topology Of A Doped Iron-Based Superconductor Using Bulk-Sensitive Fourier-Transform Compton Scattering, Yung Wang, Hsin Lin, B. Barbiellini, P. Mijnarends, S. Kaprzyk, R. Markiewicz, A. Bansil

Hsin Lin

We have carried out first-principles calculations of the Compton scattering spectra to demonstrate that the filling of the hole Fermi surface in LaO₁₋ₓFₓFeAs produces a distinct signature in the Fourier-transformed Compton spectrum when the momentum transfer vector lies along the [100] direction. We thus show how the critical concentration xc


Coexisting Pseudogap, Charge-Transfer-Gap, And Mott-Gap Energy Scales In The Resonant Inelastic X-Ray Scattering Spectra Of Electron-Doped Cuprate Superconductors, Susmita Basak, Tanmoy Das, Hsin Lin, M. Z. Hasan, R. S. Markiewicz, A. Bansil Apr 2012

Coexisting Pseudogap, Charge-Transfer-Gap, And Mott-Gap Energy Scales In The Resonant Inelastic X-Ray Scattering Spectra Of Electron-Doped Cuprate Superconductors, Susmita Basak, Tanmoy Das, Hsin Lin, M. Z. Hasan, R. S. Markiewicz, A. Bansil

Hsin Lin

We present a computation of Cu K-edge resonant inelastic x-ray scattering (RIXS) spectra for electron-doped cuprates, which includes coupling to bosonic fluctuations. Comparison with experiment over a wide range of energy and momentum transfers allows us to identify the signatures of three key normal-state energy scales: the pseudogap, charge-transfer gap, and Mott gap. The calculations involve a three-band Hubbard Hamiltonian based on dₓ2₋y2 and O pₓ, py orbitals, with a self-energy correction which arises due to spin and charge fluctuations. Our theory reproduces characteristic features, e.g., gap collapse, large spectral weight broadening, and spectral weight transfer as a function of …


Origin Of The High-Energy Kink In The Photoemission Spectrum Of The High-Temperature Superconductor Bi₂Sr₂Cacu₂O₈, Susmita Basak, Tanmoy Das, Hsin Lin, J. Nieminen, M. Lindroos, R. Markiewicz, A. Bansil Apr 2012

Origin Of The High-Energy Kink In The Photoemission Spectrum Of The High-Temperature Superconductor Bi₂Sr₂Cacu₂O₈, Susmita Basak, Tanmoy Das, Hsin Lin, J. Nieminen, M. Lindroos, R. Markiewicz, A. Bansil

Hsin Lin

The high-energy kink or the waterfall effect seen in the photoemission spectra of cuprates is suggestive of the coupling of quasiparticles to a high-energy bosonic mode with implications for the mechanism of superconductivity. Recent experiments, however, indicate that this effect may be an artifact produced entirely by matrix element effects, i.e., by the way the photoemitted electron couples to incident photons in the emission process. In order to address this issue directly, we have carried out realistic computations of the photointensity in Bi₂Sr₂CaCu₂O₈ where the effects of the matrix element are included together with those of the corrections to the …


Topological Electronic Structure In Half-Heusler Topological Insulators, W. Al-Sawai, Hsin Lin, R. S. Markiewicz, L. A. Wray, Y. Xia, S. Y. Xu, M. Z. Hasan, A. Bansil Apr 2012

Topological Electronic Structure In Half-Heusler Topological Insulators, W. Al-Sawai, Hsin Lin, R. S. Markiewicz, L. A. Wray, Y. Xia, S. Y. Xu, M. Z. Hasan, A. Bansil

Hsin Lin

We have investigated band structures of a series of 28 ternary half-Heusler compounds MM'X of MgAgAs type, where M=(Lu, La, Sc, Y) and M'X=(PtBi, AuPb, PdBi, PtSb, AuSn, NiBi, PdSb). Our results show that the Z₂ topological order is due to a single band inversion at the Γ point. In native states, these half-Heusler compounds are identified as being topologically nontrivial semimetals, or nontrivial metals, or trivial insulators, which can be turned into insulating thin films on suitable substrates. Our analysis reveals a straightforward relationship which connects the band inversion strength (extent of deviation from the critical point) to the …


Spin Texture On The Warped Dirac-Cone Surface States In Topological Insulators, Susmita Basak, Hsin Lin, L. A. Wray, S. Y. Xu, L. Fu, M. Z. Hasan, A. Bansil Apr 2012

Spin Texture On The Warped Dirac-Cone Surface States In Topological Insulators, Susmita Basak, Hsin Lin, L. A. Wray, S. Y. Xu, L. Fu, M. Z. Hasan, A. Bansil

Hsin Lin

We have investigated the nature of surface states in the Bi₂Te₃ family of three-dimensional topological insulators using first-principles calculations as well as a model Hamiltonian approach. When the surface Dirac cone is warped due to Dresselhaus spin-orbit coupling in rhombohedral structures, the spin acquires a finite out-of-the-plane component. We provide a simple, minimal model to describe the in-plane spin texture of the warped surface Dirac cone observed in experiments where spins are seen to be not aligned perpendicular to the electron momentum. Our k·p model calculation reveals that this in-plane spin texture requires fifth-order Dresselhaus spin-orbit coupling terms


Single-Dirac-Cone Topological Surface States In The Tlbise₂ Class Of Topological Semiconductors, Hsin Lin, R. S. Markiewicz, L. A. Wray, L. Fu, M. Z. Hasan, A. Bansil Apr 2012

Single-Dirac-Cone Topological Surface States In The Tlbise₂ Class Of Topological Semiconductors, Hsin Lin, R. S. Markiewicz, L. A. Wray, L. Fu, M. Z. Hasan, A. Bansil

Hsin Lin

We investigate several strong spin-orbit coupling ternary chalcogenides related to the (Pb,Sn)Te series of compounds. Our first-principles calculations predict the low-temperature rhombohedral ordered phase in TlBiTe₂, TlBiSe₂, and TlSbX₂ (X=Te, Se, S) to be topologically nontrivial. We identify the specific surface termination that realizes the single Dirac cone through first-principles surface state computations. This termination minimizes effects of dangling bonds, making it favorable for photoemission experiments. In addition, our analysis predicts that thin films of these materials could harbor novel 2D quantum spin Hall states, and support odd-parity topological superconductivity.


Origin Of The Electron-Hole Asymmetry In The Scanning Tunneling Spectrum Of The High-Temperature Bi₂Sr₂Cacu₂O₈+Δ Superconductor, Jouko Nieminen, Hsin Lin, R. S. Markiewicz, A. Bansil Apr 2012

Origin Of The Electron-Hole Asymmetry In The Scanning Tunneling Spectrum Of The High-Temperature Bi₂Sr₂Cacu₂O₈+Δ Superconductor, Jouko Nieminen, Hsin Lin, R. S. Markiewicz, A. Bansil

Hsin Lin

We have developed a material specific theoretical framework for modeling scanning tunneling spectroscopy (STS) of high-temperature superconducting materials in the normal as well as the superconducting state. Results for Bi₂Sr₂CaCu₂O₈₊δ (Bi2212) show clearly that the tunneling process strongly modifies the STS spectrum from the local density of states of the dₓ2₋y2 orbital of Cu. The dominant tunneling channel to the surface Bi involves the dₓ2₋y2 orbitals of the four neighboring Cu atoms. In accord with experimental observations, the computed spectrum displays a remarkable asymmetry between the processes of electron injection and extraction, which arises from contributions of Cu dz2 and …


Topics In Electronic Structure And Spectroscopy Of Cuprates, Hsin Lin Apr 2012

Topics In Electronic Structure And Spectroscopy Of Cuprates, Hsin Lin

Hsin Lin

I have applied first-principles calculations to investigate several interrelated problems concerned with the electronic structure and spectroscopy of cuprates. The specific topics addressed in this thesis are as follows. 1. By properly including doping effects beyond rigid band filling, a longstanding problem of the missing Bi-O pocket in the electronic structure of Bi$_2$Sr$_2$CaCu$_2$O$_{8}$ (Bi2212) is solved. The doping effect is explained in terms of Coulombic effect between layers and is a generic property of all cuprates. 2. A systematic study for Pb/O and rare-earth doping in Bi2212 is carried out to explain the experimental phase diagrams, and a possible new …