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

…, FJ Manjón, P Rodríguez-Hernández…

Index: Anales de la Asociacion Quimica Argentina (1921-2001), , vol. 42, p. 177,181

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Citation Number: 10

Abstract

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