Phonon dispersions in random alloys: a method based on special quasi-random structure force constants

Structural, vibrational, and thermodynamic properties of ordered and disordered Ni1−xPtxalloys from first-principles calculations

(2011) S. L. Shang et al.   PHYSICAL REVIEW B

Broken symmetry, strong correlation, and splitting between longitudinal and transverse optical phonons of MnO and NiO from first principles

(2010) Yi Wang et al.   PHYSICAL REVIEW B

Ab initiocalculation of phonon dispersions in size-mismatched disordered alloys

(2010) Biswanath Dutta et al.   PHYSICAL REVIEW B

Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

(2010) S. Baroni et al.   Reviews in Mineralogy & Geochemistry

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

(2009) Axel van de Walle   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM=Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

(2008) G. Ghosh et al.   ACTA MATERIALIA