Structure and Behavior of the Ni End-Member Schreibersite Ni3P Under Compression to 50 GPa

Chornkrathok, Sasithorn; Zhang, Dongzhou; Dera, Przemysław

doi:10.46427/gold2020.435

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Фосфиды играют значительную роль в минералогии железных метеоритов в качестве компонента тройной системы Fe-Ni-P. Минералы, имеющие состав (Fe,Ni)xP являются редкими, но важными вспомогательными фазами, присутствующими как в железных метеоритах, так и в хондритах [1]. Считается, что образование этих минералов в метеоритных образцах происходит либо в результате равновесной конденсации протопланетных материалов либо в результате процессов кристаллизации в ядрах родительских тел.…”

Section: Introductionunclassified

Study of the structure and stability of nickel phosphides at high pressures

Bazarbek¹,

Sagatov²,

Inerbaev³

et al. 2020

Vest KazNRTU

View full text Add to dashboard Cite

in this article, within the framework of the density functional theory, primary calculations were performed to predict the crystal structures and relative energy stability of compounds in the Ni-P binary system in the pressure range of 300-400 GPa. As a result, seven new crystal structures were predicted, six of which are represented as a three-layer dense package of Ni atoms, in which some of the atoms are replaced by phosphorus atoms. A new highpressure phase characterized by the Cmca spatial group was found for Ni3P nickel phosphide. For Ni2P, a phase with an antikotunite structure that is stable in the considered pressure range is predicted.

show abstract

Section: Introductionunclassified