Phase behavior of Ag2CrO4 under compression: structural, vibrational, and optical properties

…, FJ Manjón, P Rodríguez-Hernández…

文献索引：Anales de la Asociacion Quimica Argentina (1921-2001), , vol. 41, p. 153

全文：HTML全文

被引用次数: 10

摘要

... Departamento de Química Física I ... cutoff was required to achieve highly converged results within the projector-augmented-wave (PAW) scheme.(41, 42) The ... At each selected volume, the structures were fully relaxed to their equilibrium configurations through the calculation of ...