Density functional perturbation theory calculations of vibrational and thermodynamic properties of Zn1−xBexO alloys

Lakel, Said / Elhamra, Fatima / Almi, K. et al. | British Library Online Contents | 2015

Density functional perturbation theory calculations of vibrational and thermodynamic properties of Zn1−xBexO alloys

Lakel, Said / Elhamra, Fatima / Almi, K. et al. | British Library Online Contents | 2015

Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

Petretto, Guido / Gonze, Xavier / Hautier, Geoffroy et al. | British Library Online Contents | 2018

Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

Petretto, Guido / Gonze, Xavier / Hautier, Geoffroy et al. | British Library Online Contents | 2018

Embedded atom method calculations of vibrational thermodynamic properties of ordered and disordered Ni~3Al

Althoff, J. D. / Morgan, D. / De Fontaine, D. et al. | British Library Online Contents | 1998