We present a detailed comparative study of the electronic and mechanical properties of the
early actinide mononitrides and dinitrides within the framework of the Perdew–Burke …

The actinide elemental metals are scare, often toxic and radio active, causing challenges for
both experiments and theory while offering fascinating physics. For practical purposes they …

The electronic structure and properties of protactinium and its oxides (PaO and PaO 2) have
been studied within the framework of the local density approximation (LDA), the Perdew …

Single crystal quality films of dilute Ga Sb x N 1− x and Ga Bi y N 1− y alloys were
synthesized through a plasma-assisted vapor liquid phase epitaxy technique in which …

We have conducted electronic-structure calculations for Am metal under pressure to
investigate the behavior of the 5 f-electron states. Density-functional theory (DFT) does not …

We extend the theory of band alignment proposed by Harrison to ternary and quaternary
heteropolar semiconductors. Combining this with first-principles density functional theory …

First-principles calculations have been performed for americium (Am) metal using the
generalized gradient approximation+ orbital-dependent onsite Coulomb repulsion via …

We present a systematic study of the electronic, geometric, and magnetic properties of the
actinide dioxides, UO2, PuO2, AmO2, U0. 5Pu0. 5O2, U0. 5Am0. 5O2 and Pu0. 5Am0. 5O2 …

The ground states of the actinides have been matters of considerable controversies, theory
often contradicting experiment specifically in regards to the magnetic nature. To resolve this …

Hybrid density functional theory has been used to systematically study the electronic,
geometric, and magnetic properties of strongly correlated materials PuO 2±x, UO 2±x, and U …