Thermo-elastic and structural properties of thorium chalcogenides: A high pressure study

High-pressure study of binary thorium compounds from first principles theory and comparisons with experiment

“…Recently, first-principles calculations of vibrational and structural properties of ThN up to 100 GPa were studied, and a phonon softening under pressure was predicted to occur (Modak & Verma, 2011). Apart from these density-functional-based calculations, the interionic potentials approach has been used to study the high-pressure behaviour of binary thorium pnictides and chalcogenides (Aynyas, Sanyal & Jha, 2002;Aynyas, Kaurav & Sanyal, 2002;Gupta & Singh, 2010).…”