0000000000451406
AUTHOR
J. Ruiz-fuertes
High-pressure phase of LaPO$_{4}$ studied by x-ray diffraction and second harmonic generation
Physical review / B 94(13), 134109 (2016). doi:10.1103/PhysRevB.94.134109
Ambient-temperature high-pressure-induced ferroelectric phase transition in CaMnTi2O6
Physical review / B 96(9), 094101 (2017). doi:10.1103/PhysRevB.96.094101
Gold(i) sulfide: unusual bonding and an unexpected computational challenge in a simple solid† †Electronic supplementary information (ESI) available: Analysis of the pressure-induced amorphization in Au2S and calculated band structure. See DOI: 10.1039/c9sc00371a
Cubic cuprite-type gold(i) sulfide presents unique chemical bonding, which makes it unmodelable using current DFT methods, and a computational challenge.