activity
20152022
most citedLarge scale and linear scaling DFT with the CONQUEST code

124 citations · 256 across the 10 of their papers we have counts for

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Showing 2022Show all

2 papers · 1 filter

cond-mat.mtrl-sci2022★ 8 cited

Automated calculations of exchange magnetostriction

P. Nieves, S. Arapan, S. H. Zhang +3

We present a methodology based on deformations of the unit cell that allows to compute the isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneo…

cond-mat.mtrl-sci2022

First-principles calculations of the spontaneous volume magnetostriction based on the magnetoelastic energy

P. Nieves, S. Arapan, D. Legut

We present a simple methodology to compute the spontaneous volume magnetostriction with first-principles calculations on the basis of the magnetoelastic energy. This method makes u…