39 citations · 75 across the 3 of their papers we have counts for
3 papers
Spin states of iron impurities in magnesium oxide under pressure: A possible intermediate state
R. Larico, L. V. C. Assali, J. F. Justo
Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-pri…
Electronic properties and hyperfine fields of nickel-related complexes in diamond
R. Larico, J. F. Justo, W. V. M. Machado +1
We carried out a first principles investigation on the microscopic properties of nickel-related defect centers in diamond. Several configurations, involving substitutional and inte…
Quasiharmonic elastic constants corrected for deviatoric thermal stresses
Pierre Carrier, João F. Justo, Renata M. Wentzcovitch
The quasiharmonic approximation (QHA), in its simplest form also called the statically constrained (SC) QHA, has been shown to be a straightforward method to compute thermoelastic…