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Fermi surface nesting and the origin of charge density waves in metals
The concept of a charge density wave (CDW), which is induced by Fermi-surface nesting, originated from the Peierls idea of electronic instabilities in purely one-dimensional metals and is now oftenExpand
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Fermi-surface nesting and the origin of the charge-density wave inNbSe2
We use highly accurate density functional calculations to study the band structure and Fermi surfaces of $\mathrm{Nb}{\mathrm{Se}}_{2}$. We calculate the real part of the noninteractingExpand
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Unconventional superconductivity with a sign reversal in the order parameter of LaFeAsO1-xFx.
We argue that the newly discovered superconductivity in a nearly magnetic, Fe-based layered compound is unconventional and mediated by antiferromagnetic spin fluctuations, though different from theExpand
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A key role for unusual spin dynamics in ferropnictides
The discovery of high-Tc ferropnictides introduced a new family of superconductors, and has already revealed a complicated and often contradictory picture of the structural and magnetic properties.Expand
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Problems with reconciling density functional theory calculations with experiment in ferropnictides
First-principles calculations of magnetic and, to a lesser extent, electronic properties of the LaFeAsO-based superconductors show substantial apparent controversy, as opposed to most weakly orExpand
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Computational prediction and characterization of single-layer CrS2
Using first-principles calculations, we predict a previously unreported bulk CrS2 phase that is stable against competing phases and a low energy dynamically stable single-layer CrS2 phase. WeExpand
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Microscopic origin of magnetism and magnetic interactions in ferropnictides
One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these areExpand
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Quantum oscillations in the parent pnictide BaFe 2 As 2 : Itinerant electrons in the reconstructed state
We report quantum-oscillation measurements that enable the direct observation of the Fermi surface of the low-temperature ground state of ${\text{BaFe}}_{2}{\text{As}}_{2}$. From these measurementsExpand
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Fermi surfaces in Kondo insulators.
We report magnetic quantum oscillations measured using torque magnetisation in the Kondo insulator YbB12 and discuss the potential origin of the underlying Fermi surface. Observed quantumExpand
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Tetragonal vs. cubic phase stability in Al – free Ta doped Li7La3Zr2O12 (LLZO)
Li7La3Zr2O12 (LLZO) garnet is attracting interest as a promising Li-ion solid electrolyte. LLZO exists in a tetragonal and cubic polymorph where the cubic phase exhibits ∼2 orders of magnitude higherExpand
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