165 citations · 501 across the 16 of their papers we have counts for
16 papers
Superconductivity in CuCl/Si: possible excitonic pairing?
S. H. Rhim, Rolando Saniz, M. Weinert +1
The search for superconductivity with higher transition temperature () has long been a challenge in research efforts ever since its first discovery in 1911. The effort has led…
Role of spin-orbit coupling on the electronic structure and properties of SrPtAs
S. J. Youn, S. H. Rhim, D. F. Agterberg +2
The effect of spin-orbit coupling on the electronic structure of the layered iron-free pnictide superconductor, SrPtAs, has been studied using the full potential linearized augment…
First-principles investigation of magnetism and electronic structures of substitutional transition-metal impurities in bcc Fe
Gul Rahman, In Gee Kim, H. K. D. H. Bhadeshia +1
The magnetic and electronic structures of impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential lineari…
Magneto-optical properties of (Ga,Mn)As: an ab--initio determination
A. Stroppa, S. Picozzi, A. Continenza +2
The magneto-optical properties of (Ga,Mn)As have been determined within density functional theory using the highly precise full-potential linear augmented plane wave (FLAPW) method…
Optical and magneto-optical properties of ferromagnetic full-Heusler films: experiments and first-principles calculations
F. Ricci, S. Picozzi, A. Continenza +5
We report a joint theoretical and experimental study focused on understanding the optical and magneto-optical properties of Co-based full-Heusler compounds. We show that magneto-op…
Accurate first principles detailed balance determination of Auger recombination and impact ionization rates in semiconductors
S. Picozzi, R. Asahi, C. B. Geller +1
The technologically important problem of predicting Auger recombination lifetimes in semiconductors is addressed by means of a fully first--principles formalism. The calculations e…
Large anisotropy in the optical conductivity of YNi2B2C
S. J. Youn, B. I. Min, A. J. Freeman
The optical properties of YNiBC are studied by using the first-principles full-potential linearized augmented plane wave (FLAPW) method within the local density approximati…
Role of Coulomb correlation on magnetic and transport properties of doped manganites: La0.5Sr0.5MnO3 and LaSr2Mn2O7
JE Medvedeva, VI Anisimov, ON Mryasov +1
Results of LSDA and LSDA+U calculations of the electronic structure and magnetic configurations of the 50% hole-doped pseudocubic perovskite La0.5Sr0.5MnO3 and double layered LaSr2…
Impact ionization in GaAs: a screened exchange density functional approach
S. Picozzi, R. Asahi, C. B. Geller +2
Results are presented of a fully ab-initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and th…
Coordination and chemical effects on the structural, electronic and magnetic properties in Mn pnictides
A. Continenza, S. Picozzi, W. T. Geng +1
Simple structures of MnX binary compounds, namely hexagonal NiAs and zincblende, are studied as a function of the anion (X = Sb, As, P) by means of the all-electron FLAPW method wi…
Magnetic and electronic structures of superconducting RuSrGdCuO
K. Nakamura, K. T. Park, A. J. Freeman +1
The coexistence of ferromagnetism and superconductivity in RuSrGdCuO was reported both from experiments (by Tallon et. al.) and first-principles calculations (by Picket…
Metal induced gap states and Schottky barrier heights at non-reactive GaN/noble metal interfaces
S. Picozzi, A. Continenza, G. Satta +2
We present ab-initio local density FLAPW calculations on non-reactive N-terminated [001] ordered GaN/Ag and GaN/Au interfaces and compare the results (such as metal induced gap sta…
Influence of the exchange reaction on the electronic structure of GaN/Al junctions
S. Picozzi, A. Continenza, S. Massidda +2
Ab-initio calculations have been used to study the influence of the interface morphology and, notably, of the exchange reaction on the electronic properties of Al/GaN (100) interfa…
Electric fields and valence band offsets at strained [111] heterojunctions
S. Picozzi, A. Continenza, A. J. Freeman
[111] ordered common atom strained layer superlattices (in particular the common anion GaSb/InSb system and the common cation InAs/InSb system) are investigated using the ab initio…
Effects of epitaxial strain and ordering direction on the electronic properties of (GaSb)_1/(InSb)_1 and (InAs)_1/(InSb)_1 superlattices
S. Picozzi, A. Continenza, A. J. Freeman
The structural and electronic properties in common anion (GaSb)_1/(InSb)_1 and common cation (InAs)_1/(InSb)_1 [111] ordered superlattices have been determined using the local dens…
Effect of Structure on the Electronic Density of States of Doped Lanthanum Cuprate
M. R. Norman, G. J. McMullan, D. L. Novikov +1
We present a series of detailed band calculations on the various structural phases of doped lanthanum cuprate: HTT, LTO, and LTT. The LTO distortion is shown to have little effect…