To understand the capabilities of the code, it is useful to browse through the publications that have used it, in one form or another.
- Hellman, O., Abrikosov, I. A. & Simak, S. I. Lattice dynamics of anharmonic solids from first principles. Phys. Rev. B 84, 180301 (2011).
- Kim, D. S. et al. Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon. Proc. Natl. Acad. Sci. 201707745 (2018).
- Shulumba, N., Hellman, O. & Minnich, A. J. Intrinsic localized mode and low thermal conductivity of PbSe. Phys. Rev. B 95, 14302 (2017).
- Mauger, L. et al. Phonons and elasticity of cementite through the Curie temperature. Phys. Rev. B 95, 24308 (2017).
- Shulumba, N., Hellman, O. & Minnich, A. J. Lattice Thermal Conductivity of Polyethylene Molecular Crystals from First-Principles Including Nuclear Quantum Effects. Phys. Rev. Lett. 119, 185901 (2017).
- Yang, F. C. et al. Thermally Driven Electronic Topological Transition in FeTi. Phys. Rev. Lett. 117, 76402 (2016).
- Björkman, T. et al. Vibrational Properties of a Two-Dimensional Silica Kagome Lattice. ACS Nano 10, 10929–10935 (2016).
- Mozafari, E., Shulumba, N., Steneteg, P., Alling, B. & Abrikosov, I. A. Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations. Phys. Rev. B 94, 54111 (2016).
- Shulumba, N. et al. Lattice Vibrations Change the Solid Solubility of an Alloy at High Temperatures. Phys. Rev. Lett. 117, 205502 (2016).
- Dewaele, A. et al. High pressure-temperature phase diagram and equation of state of titanium. Phys. Rev. B 91, 134108 (2015).
- Isaeva, L., Hellman, O., Lashley, J. C., Abrikosov, I. A. & Eriksson, O. Dynamic Stabilization of Cubic AuZn. Mater. Today Proc. 2, S569–S572 (2015).
- Shulumba, N. et al. Temperature-dependent elastic properties of Ti1-xAlxN alloys. Appl. Phys. Lett. 107, 1–4 (2015).
- Mei, A. B. et al. Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations. Phys. Rev. B 92, 174301 (2015).
- Lan, T. et al. Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutile TiO2. Phys. Rev. B 92, 54304 (2015).
- Romero, A. H., Gross, E. K. U., Verstraete, M. J. & Hellman, O. Thermal conductivity in PbTe from first principles. Phys. Rev. B 91, 214310 (2015).
- Abrikosov, I. A. et al. Theoretical description of pressure-induced phase transitions: a case study of Ti-V alloys. High Press. Res. 35, 42–48 (2015).
- Mei, A. B. et al. Dynamic and structural stability of cubic vanadium nitride. Phys. Rev. B 91, 54101 (2015).
- Bouchet, J. & Bottin, F. Thermal evolution of vibrational properties of alpha-U. Phys. Rev. B 92, 174108 (2015).
- Budai, J. D. et al. Metallization of vanadium dioxide driven by large phonon entropy. Nature 515, 535–539 (2014).
- Miranda, A. L., Xu, B., Hellman, O., Romero, A. H. & Verstraete, M. J. Ab initio calculation of the thermal conductivity of indium antimonide. Semicond. Sci. Technol. 29, 124002 (2014).
- Hellman, O. & Broido, D. A. Phonon thermal transport in Bi2Te3 from first principles. Phys. Rev. B 90, 134309 (2014).
- Shulumba, N. et al. Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio molecular dynamics. Phys. Rev. B 89, 174108 (2014).
- Li, C. W. et al. Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics. Phys. Rev. Lett. 112, 175501 (2014).
- Hellman, O., Steneteg, P., Abrikosov, I. A. & Simak, S. I. Temperature dependent effective potential method for accurate free energy calculations of solids. Phys. Rev. B 87, 104111 (2013).
- Steneteg, P. et al. Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations. Phys. Rev. B 87, 94114 (2013).
- Hellman, O. & Abrikosov, I. A. Temperature-dependent effective third-order interatomic force constants from first principles. Phys. Rev. B 88, 144301 (2013).