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Crustal anisotropy in the vicinity of the Alpine fault zone
Abstract Petrophysical measurements of rock samples collected within the Haast, Torlesse, and Alpine Fault Zone terranes of the South Island of New Zealand indicate significant seismic P‐wave… Expand
Relativistic Band Calculation and the Optical Properties of Gold
Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients
New High‐Pressure Phases of Lithium.
Effect of van der Waals interactions on the structural and elastic properties of black phosphorus
The structural and elastic properties of orthorhombic black phosphorus have been investigated using first-principles calculations based on density functional theory. The structural parameters have… Expand
Theory of point defects in GaN, AlN, and BN: Relaxation and pressure effects
Native defects and some common dopants in cubic GaN, AlN, and BN are examined by means ofab initio calculations using a supercell approach in connection with the full potential linear muffin-tin… Expand
Linear muffin-tin-orbital and k ⋅ p calculations of effective masses and band structure of semiconducting diamond
The electronic structure of semiconducting diamond is calculated by the scalar-relativistic linear muffin-tin-orbital method within the local-density approximation. Information about matrix elements,… Expand
Self-consistent electronic structures of MgO and SrO
Abstract The LMTO-method is used to calculate the band structure of the alkaline-earth oxides MgO and SrO. The cohesive energy and equilibrium lattice constant are also calculated. The results are… Expand
Influence of indium clustering on the band structure of semiconducting ternary and quaternary nitride alloys
Predicted superconductive properties of lithium under pressure.
A superconducting state of lithium has not been found at ambient pressure, but the present theoretical work shows that high values of the critical temperature, T(c), may be expected for some… Expand