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Article
Open AccessUnusual electronic and vibrational properties in the colossal thermopower material FeSb2
The iron antimonide FeSb2 possesses an extraordinarily high thermoelectric power factor at low temperature, making it a leading candidate for cryogenic thermoelectric cooling devices. However, the origin of this ...
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Article
Spin dynamics and orbital-antiphase pairing symmetry in iron-based superconductors
The pairing symmetry of iron pnictide superconductors has been hotly debated. First-principles simulations suggest low-energy spin excitations play a central role in raising the superconducting transition temp...
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Article
Site-selective electronic correlation in α-plutonium metal
An understanding of the phase diagram of elemental plutonium (Pu) must include both, the effects of the strong directional bonding and the high density of states of the Pu 5f electrons, as well as how that bondin...
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Chapter and Conference Paper
Thermopower of the Correlated Narrow Gap Semiconductor FeSi and Comparison to RuSi
Iron based narrow gap semiconductors such as FeSi, FeSb2, or FeGa3have received a lot of attention because they exhibit a large thermopower, as well as striking similarities to heavy fermion Kondo insulators. Man...
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Article
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
Iron-based superconductors all share the same building blocks. So why do local magnetic properties vary from one compound to another? A new theoretical model explains the variation in physical properties and l...
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Article
Magnetism and charge dynamics in iron pnictides
For the iron pnictide superconductors, a first-principles calculation of the magnetic state shows that correlations are important if we are to understand both the paramagnetic and magnetic phases. Moreover, th...
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Article
Computational modeling of actinide materials and complexes
In spite of being rare, actinide elements provide the building blocks for many fascinating condensed-matter systems, both from an experimental and theoretical perspective. Experimental observations of actinide...
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Chapter and Conference Paper
Thermoelectrics Near the Mott Localization—Delocalization Transition
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Article
Coulomb correlations and the Wigner–Mott transition
Evidence for metal–insulator transitions in dilute 2D electron gases has sparked controversy and debate. A new model suggests such behaviour could arise from strong correlations driven by non-local Coulomb int...
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Article
Fluctuating valence in a correlated solid and the anomalous properties of δ-plutonium
The nuclear properties of the late actinides such as plutonium and curium — familiar as substrates and by-products in nuclear reactors — are well understood. The same cannot be said of their solid-state proper...
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Article
Two energy scales and two distinct quasiparticle dynamics in the superconducting state of underdoped cuprates
The superconducting temperature Tc of hole-doped high-temperature superconductors has a dome-like shape as a function of hole concentration, with a maximum Tc at ‘optimal’ do**. On the underdoped side, the supe...
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Article
Construction of localized basis for dynamical mean field theory
Many-body Hamiltonians obtained from first principles generally include all possible non-local interactions. But in dynamical mean field theory the non-local interactions are ignored, and only the effects o...
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Article
A first-order Mott transition in LixCoO2
Despite many years of experimental searches for a first-order Mott transition in crystalline-doped semiconductors, none have been found. Extensive experimental work has characterized a first-order metal–insula...
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Chapter
Spectral Density Functional Approach to Electronic Correlations and Magnetism in Crystals
A novel approach to electronic correlations and magnetism of crystals based on the realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the “local density approx...
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Article
Multi-patch model for transport properties of cuprate superconductors
A number of normal state transport properties of cuprate superconductors are analyzed in detail using the Boltzmann equation. The momentum dependence of the electronic structure and the strong momentum anisotr...
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Article
Correlated electrons in δ-plutonium within a dynamical mean-field picture
Given the practical importance of metallic plutonium, there is considerable interest1,2,3 in understanding its fundamental properties. Plutonium undergoes a 25 per cent increase in volume4 when transformed from i...
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Chapter
Model Hamiltonians and First Principles Electronic Structure Calculations
We review the basic ideas of the dynamical mean field theory (DMFT). Some of the remarkable insights into the electronic structure of strongly correlated electrons are introduced using the simplest model Hamil...
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Article
Landau theory of the Mott transition in the fully frustrated Hubbard model in infinite dimensions
We discuss the solution of the Mott transition problem in a fully frustrated lattice with a semicircular density of states in the limit of infinite dimensions from the point of view of a Landau free energy fun...
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Chapter and Conference Paper
The Mott Transition: Results from Mean-Field Theory
The Mott transition phenomena can be studied systematically in the limit of large lattice spatial coordination. We review some results obtained with this approach in the light of recent experiments on transiti...
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Chapter and Conference Paper
Fermi Liquid and Non Fermi Liquid Phases of the Extended Hubbard Model
We outline the auxiliary boson approach to the one band and two band Hubbard model. In this framework we find Fermi. Liquid and Non Fermi Liquid behavior in different regions of the phase diagram. Differences ...