A. A. Leitão

most cited{\it Ab initio}

^{27} A l

NMR chemical shifts and quadrupolar parameters for

A l_{2} O_{3}

phases and their precursors

54 citations · 55 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2011★ 54 cited

{\it Ab initio} $^{27} A l$ NMR chemical shifts and quadrupolar parameters for $A l_{2} O_{3}$ phases and their precursors

Ary R. Ferreira, Emine Küçükbenli, Alexandre A. Leitão +1

The Gauge-Including Projector Augmented Wave (GIPAW) method, within the Density Functional Theory (DFT) Generalized Gradient Approximation (GGA) framework, is applied to compute so…

cond-mat.mtrl-sci2004★ 1 cited

Group V Mixing Effects in the Structural and Optical Properties of (ZnSi)1/2(P)1/4(As)1/4

A. A. Leitão, R. B. Capaz

We present {\it ab initio} total energy and band structure calculations based on Density Funtional Theory (DFT) within the Local Density Aproximation (LDA) on group-V mixing effect…

{\it Ab initio} 27Al NMR chemical shifts and quadrupolar parameters for Al2​O3​ phases and their precursors

Group V Mixing Effects in the Structural and Optical Properties of (ZnSi)1/2(P)1/4(As)1/4

{\it Ab initio} $^{27} A l$ NMR chemical shifts and quadrupolar parameters for $A l_{2} O_{3}$ phases and their precursors