Publications (38)
Orbital Ordering in Paramagnetic LaMnO3 and KCuF3
J. E. Medvedeva, M. A. Korotin, V. I. Anisimov +1
Physisorption of positronium on quartz surfaces
R. Saniz, B. Barbiellini, P. M. Platzman +1
First-principles characterization of ferromagnetic Mn5Ge3 for spintronic applications
S. Picozzi, A. Continenza, A. J. Freeman
Optical and magneto-optical properties of ferromagnetic full-Heusler films: experiments and first-principles calculations
F. Ricci, S. Picozzi, A. Continenza +5
Role of structural relaxations, chemical substitutions and polarization fields on the potential line-up in [0001] wurtzite GaN/Al systems
S. Picozzi, G. Profeta, A. Continenza +2
Metal induced gap states and Schottky barrier heights at non-reactive GaN/noble metal interfaces
S. Picozzi, A. Continenza, G. Satta +2
Large anisotropy in the optical conductivity of YNi2B2C
S. J. Youn, B. I. Min, A. J. Freeman
Atomic size effect in impurity indued grain boundary embrittlement
W. T. Geng, A. J. Freeman, G. B. Olson
Combining high conductivity with complete optical transparency: A band-structure approach
J. E. Medvedeva, A. J. Freeman
Orbital mixing and nesting in the bilayer manganites La$_{2-2x}$Sr$_{1+2x}$Mn$_2$O$_7$
R. Saniz, M. R. Norman, A. J. Freeman
Magneto-optics in pure and defective Ga_{1-x}Mn_xAs from first-principles
S. Picozzi, A. Continenza, M. Kim +1
Magnetic and electronic structures of superconducting RuSr$_2$GdCu$_2$O$_8$
K. Nakamura, K. T. Park, A. J. Freeman +1
Tunable Conductivity and Conduction Mechanism in a UV light activated electronic conductor
M. I. Bertoni, T. O. Mason, J. E. Medvedeva +3
Influence of the exchange reaction on the electronic structure of GaN/Al junctions
S. Picozzi, A. Continenza, S. Massidda +2
Canted ferromagnetism in RuSr$_2$GdCu$_2$O$_8$
K. Nakamura, A. J. Freeman
Magneto-optical properties of (Ga,Mn)As: an ab--initio determination
A. Stroppa, S. Picozzi, A. Continenza +2
Role of spin-orbit coupling on the electronic structure and properties of SrPtAs
S. J. Youn, S. H. Rhim, D. F. Agterberg +2
Strain-induced Giant Second-harmonic Generation in Monolayered $2H$-MoX$_2$ (X=S,Se,Te)
S. H. Rhim, Yong Soo Kim, A. J. Freeman
Electronic structure of superconducting MgB2 and related binary and ternary borides
N. I. Medvedeva, A. L. Ivanovskii, J. E. Medvedeva +1
Impact ionization in GaAs: a screened exchange density functional approach
S. Picozzi, R. Asahi, C. B. Geller +2
Electric fields and valence band offsets at strained [111] heterojunctions
S. Picozzi, A. Continenza, A. J. Freeman
Electronic structure and light-induced conductivity in a transparent refractory oxide
J. E. Medvedeva, A. J. Freeman, M. I. Bertoni +1
Pressure effects on the electronic properties and superconductivity in the $β$-pyrochlore oxides: $A$Os$_2$O$_6$ ($A$ = Na, K, Rb, Cs)
R. Saniz, A. J. Freeman
Coordination and chemical effects on the structural, electronic and magnetic properties in Mn pnictides
A. Continenza, S. Picozzi, W. T. Geng +1
Half-metallicity and efficient spin injection in AlN/GaN:Cr (0001) heterostructure
J. E. Medvedeva, A. J. Freeman, X. Y. Cui +2
Magnetoelastic mechanism of spin-reorientation transitions at step-edges
A. B. Shick, Yu. N. Gornostyrev, A. J. Freeman
Generalized stacking fault energetics and dislocation properties: compact vs. spread unit dislocation structures in TiAl and CuAu
Oleg N. Mryasov, Yu. N. Gornostyrev, A. J. Freeman
Influence of growth direction and strain conditions on the band line-up at GaSb/InSb and InAs/InSb interfaces
S. Picozzi, A. Continenza, A. J. Freeman
Electric field gradients in s-, p- and d-metal diborides and the effect of pressure on the band structure and T$_c$ in MgB$_2$
N. I. Medvedeva, A. L. Ivanovskii, J. E. Medvedeva +2
Superconductivity in CuCl/Si: possible excitonic pairing?
S. H. Rhim, Rolando Saniz, M. Weinert +1
Accurate first principles detailed balance determination of Auger recombination and impact ionization rates in semiconductors
S. Picozzi, R. Asahi, C. B. Geller +1
Energetics and bonding properties of the Ni/$β$-SiC (001) interface: an ab-initio study
G. Profeta, A. Continenza, A. J. Freeman
Electronic structure properties and BCS superconductivity in beta-pyrochlore oxides: KOs_2O_6
R. Saniz, J. E. Medvedeva, Lin-Hui Ye +2
New features of dislocation structures arising from lattice discreteness
Oleg N. Mryasov, Yu. N. Gornostyrev, A. J. Freeman
Effect of Structure on the Electronic Density of States of Doped Lanthanum Cuprate
M. R. Norman, G. J. McMullan, D. L. Novikov +1
Electronic Structure and Properties of SrAlGe and BaAlGe
S. J. Youn, A. J. Freeman
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
Hopping versus bulk conductivity in transparent oxides: 12CaO.7Al2O3
J. E. Medvedeva, A. J. Freeman