198 citations · 374 across the 6 of their papers we have counts for
6 papers
Ab initio construction of magnetic phase diagrams in alloys: The case of FeMnPt
B. S. Pujari, P. Larson, V. P. Antropov +1
A first-principles approach to the construction of concentration-temperature magnetic phase diagrams of metallic alloys is presented. The method employs self-consistent total energ…
Supercell studies of the Fermi surface changes in the electron-doped superconductor LaFeAsOF
P. Larson, S. Satpathy
We study the changes in the Fermi surface with electron doping in the LaFeAsOF superconductors with density-functional supercell calculations using the linearized augme…
Electronic structure of Gd pnictides
Paul Larson, Walter R. L. Lambrecht
A computational study of the electronic structure and magnetic properties of Gd-pnictides is reported. The calculations were performed using a full-potential linear muffin-tin orbi…
Magnetism, Critical Fluctuations and Susceptibility Renormalization in Pd
P. Larson, I. I. Mazin, D. J. Singh
Some of the most popular ways to treat quantum critical materials, that is, materials close to a magnetic instability, are based on the Landau functional. The central quantity of s…
Calculation of magnetic anisotropy energy in SmCo5
P. Larson, I. I. Mazin, D. A. Papaconstantopoulos
SmCo5 is an important hard magnetic material, due to its large magnetic anisotropy energy (MAE). We have studied the magnetic properties of SmCo5 using density functional theory (D…
Structure of nanocrystalline materials using atomic pair distribution function analysis: study of LiMoS2
V. Petkov, S. J. L. Billinge, P. Larson +4
The structure of LiMoS2 has been experimentally determined for the first time. The approach of atomic pair distribution function (PDF) analysis was used because of the lack of well…