6 papers
Excitonic and Quasiparticle Life Time Effects on Silicon Electron Energy Loss Spectrum from First Principles
B. Arnaud, S. Lebègue, M. Alouani
The quasiparticle decays due to electron-electron interaction in silicon are studied by means of first-principles all-electron GW approximation. The spectral function as well as th…
Spin quantization axis dependent magnetic properties and x-ray magnetic circular dichroism of FePt and CoPt
I. Galanakis, M. Alouani, H. Dreyssé
We have performed a theoretical study of the magnetic circular dichroism in the x-ray absorption spectra (XMCD) of the equiatomic CoPt and FePt ordered alloys as a function of the…
Excited States Calculated by Means of the Linear Muffin-Tin Orbital Method
M. Alouani, J. M. Wills
The most popular electronic structure method, the linear muffin-tin orbital method (LMTO), in its full-potential (FP) and relativistic forms has been extended to calculate the spec…
Full-Potential LMTO: Total Energy and Force Calculations
John M Wills, Olle Eriksson, Mebarek Alouani +1
The essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method…
Implementation of an all-electron GW Approximation using the Projector Augmented Wave method: I. Formulation and application to the electronic structure of semiconductors
B. Arnaud, M. Alouani
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction…
Alouani {\it et al.} Reply to Comment on Tuning of the CDW in MX Chains
M. Alouani, J. W. Wilkins, R. C. Albers +1
This is a reply to J. T. Gammel's Comment (9404047) on Tuning of the CDW in MX Chains. We show that while the harmonic elastic energy can fit a small region around zero dimerizatio…