343 citations · 1.4k across the 11 of their papers we have counts for
6 papers · 1 filter
Do As antisites destroy the ferromagnetism of (Ga,Mn)As?
Stefano Sanvito, Nicola A. Hill
The effect of the inclusion of As antisites in the diluted magnetic semiconductor (Ga,Mn)As is studied within density functional theory in the local spin density approximation. In…
First principles study of the origin and nature of ferromagnetism in (Ga,Mn)As
Stefano Sanvito, Pablo Ordejon, Nicola A. Hill
The properties of diluted GaMnAs are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. Mülliken…
Spin-Orbit Coupling in the ab initio Pseudopotential Framework
G. Theurich, N. A. Hill
We describe the implementation of total angular momentum dependent pseudopotentials in a plane wave formulation of density functional theory. Our approach thus goes beyond the scal…
First principles study of strain/electronic interplay in ZnO; Stress and temperature dependence of the piezoelectric constants
Nicola A. Hill, Umesh Waghmare
We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential imple…
Magnetic stress as a driving force of structural distortions: the case of CrN
Alessio Filippetti, Nicola A. Hill
We show that the observed transition from rocksalt to orthorhombic P symmetry in CrN can be understood in terms of stress anisotropy. Using local spin density functional th…
Can half metallic zincblende MnAs be grown?
Stefano Sanvito, Nicola A. Hill
In this paper we investigate theoretically the ground state NiAs-type structure of MnAs and we compare the magnetic and structural properties with an hypothetical zincblende struct…