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2007
Multiferroics: Progress and prospects in thin films, R. Ramesh and N. A. Spaldin,
Nature Materials 6, 21 (2007).
2006
Mott transition of MnO under pressure: A comparison of correlated band theories,
D. Kasinathan, J. Kunes, K. Koepernik, C. V. Diaconu, R. L. Martin, I. D. Prodan, G. E. Scuseria, N. A.
Spaldin, L. Petit, T. C. Schulthess and W. E. Pickett, Phys. Rev. B 74, 195110 (2006).
Origin of the dielectric dead layer in nanoscale capacitors,
M. Stengel and N. A. Spaldin, Nature 443, 679-682 (2006).
Electrical control of antiferromagnetic domains in multiferroic BiFeO3 films
at room temperature, T. Zhao, A. Scholl, F. Zavaliche, K. Lee, M. Barry, A. Doran, M. P. Cruz,
Y. H. Chu, C. Ederer, N. A. Spaldin, R. R. Das, D. M. Kim, S. H. Baek, C. B. Eom and R. Ramesh,
Nature Materials 5, 823 - 829 (2006).
Magnetic interactions in transition-metal-doped ZnO: An ab initio study,
P. Gopal and N. A. Spaldin, Phys. Rev. B 74, 094418 (2006).
Origin of ferroelectricity in the multiferroic barium fluorides BaMF4:
A first principles study
Phys. Rev. B 74, 024102 (2006)
Electric-field-switchable magnets: The case of BaNiF4,
C. Ederer and N. A. Spaldin, Phys. Rev. B 74, 1 (2006)
Lattice relaxation in oxide heterostructures: LaTiO3/SrTiO3
superlattices, S. Okamoto, A. Millis and N. A. Spaldin, Phys. Rev. Lett.
97, 56802 (2006).
Polarization, piezoelectric constants and elastic constants of ZnO,
MgO and CdO, P. Gopal and N. A. Spaldin, J. Elec. Mat. 35, 538 (2006).
Accurate polarization within a unified Wannier function formalism, M. Stengel and
N. A. Spaldin, Phys. Rev. B 73, 075121 (2006).
Understanding ferromagnetism in Co-doped TiO2 anatase from first
principles, R. Janisch and N. A. Spaldin Phys. Rev. B 73, 035201 (2006).
Recent progress in first-principles studies of magnetoelectric
multiferroics, C. Ederer and N. A. Spaldin, Curr. Opin. Sol. Stat. and Mater.
Sci. 9, 128-139 (2006).
2005
First principles study of the multiferroics BiFeO3,
Bi2FeCrO6,
and BiCrO3: Structure, polarization, and magnetic ordering temperature,
P. Baettig, C. Ederer and N. A. Spaldin, Phys. Rev. B, 72, 214105 (2005).
Effect of epitaxial strain on the spontaneous polarization of
thin film ferroelectrics, C. Ederer and N. A. Spaldin, Phys. Rev. Lett. 95,
257601 (2005).
The renaissance of magnetoelectric multiferroics,
N. A. Spaldin and M. Fiebig, Science 309, 391 (2005).
Transition metal-doped TiO2 and ZnO -- present status of the field,
R. Janisch, P. Gopal and N. A. Spaldin, J. Phys.: Condens. Matter 17, R657 (2005).
Influence of strain and oxygen vacancies on the magnetoelectric
properties of multiferroic bismuth ferrite,
C. Ederer and N. A. Spaldin, Phys. Rev. B 71, 224103 (2005).
Theoretical prediction of new high-performance, lead-free piezoelectrics,
P. Baettig, C. Schelle, R. LeSar, U. V. Waghmare and N. A. Spaldin, Chem. Mat. 17, 1376 (2005).
Strong correlation and ferromagnetism in (Ga,Mn)As and (Ga,Mn)N,
A. Filippetti, N. A. Spaldin and S. Sanvito, J. Mag. Mag. Mat. 290, 1391 (2005).
Schrodinger's mousetrap, N. A.
Spaldin, Nature 434, 25 (2005).
Weak ferromagnetism and magnetoelectric coupling in bismuth
ferrite, C. Ederer and N. A. Spaldin, Phys. Rev. B 71, 060401(R) (2005).
Ab initio prediction of a multiferroic with large polarization
and magnetization, P. Baettig and N. A. Spaldin, Appl. Phys. Lett. 86, 012505 (2005).
First-principles study of spontaneous polarization in multiferroic
BiFeO3, J. B. Neaton, C. Ederer, U. V. Waghmare, N. A. Spaldin and K. M. Rabe,
Phys. Rev. B 71, 014113 (2005).
2004
Self-interaction effects in (Ga,Mn)As and (Ga,Mn)N,
N. A. Spaldin and S. Sanvito, Chem. Phys. 309, 59 (2004).
A new route to magnetic ferroelectrics, C. Ederer and N. A.
Spaldin, Nature Materials 3, 849 (2004).
First-principles study of wurtzite-structure MnO,
P. Gopal, N. A. Spaldin and U. V. Waghmare, Phys. Rev. B 70, 205104 (2004).
Density-functional study of charge doping in WO3,
A. D. Walkinshaw, N. A. Spaldin and E. Artacho, Phys. Rev. B 70, 165110 (2004).
Fundamental size limits in ferroelectricity, N. A.
Spaldin, Science 304, 1606-1607 (2004).
Multiferroic materials tower up, N. A. Spaldin, Physics
World, April, 20-21 (2004).
Search for ferromagnetism in transition-metal-doped piezoelectric
ZnO, N. A. Spaldin, Phys. Rev. B 69, 125201 (2004).
The origin of ferroelectricity in magnetoelectric YMnO3,
B. B. Van Aken, T. T. M. Palstra, A. Filippetti and N. A. Spaldin, Nature
Materials 3 (3), 164-170 (2004).
2003
Computational design of multifunctional materials, N.
A. Spaldin and W. E. Pickett, J. Solid State Chem 176 (2), 615-632
(2003).
Magnetism in polycrystalline cobalt-substituted zinc oxide,
A. S. Risbud, N. A. Spaldin, Z. Q. Chen, S. Stemmer, and Ram Seshadri, Phys.
Rev. B 68, 205202 (2003).
Strong-correlation effects in Born effective charges,
A. Filippetti and N.A. Spaldin, Phys. Rev. B 68, 045111 (2003).
Epitaxial BiFeO3 multiferroic thin film heterostructures,
J. Wang, J.B. Neaton, H. Zheng, V. Nagarajan, S.B. Ogale, B. Liu, D. Viehland,
V. Vaithyanathan, D.G. Schlom, U.V. Waghmare, N.A. Spaldin, K.M. Rabe, M.
Wuttig and R. Ramesh, Science 299, 1719-1722 (2003).
Self-interaction corrected pseudopotential scheme for magnetic
and strongly-correlated systems, A. Filippetti and N.A. Spaldin, Phys.
Rev. B 67, 125109 (2003).
First principles indicators of metallicity and cation off-centricity
in the IV-VI rock-salt chalcogenides of divalent Ge, Sn and Pb, U.V.
Waghmare, N.A. Spaldin, H.C. Kandpal and R. Seshadri, Phys. Rev. B 67,
125111 (2003).
2002
First-principles approach to spin-orbit coupling
in dilute magnetic semiconductors, G.J. Theurich
and N.A. Hill, Phys. Rev. B 66, 115208 (2002).
Density functional studies
of multiferroic magnetoelectrics, N.A. Hill, Ann. Rev.
Mat. 32, 1 (2002).
First principles study of intrinsic defects in (Ga,Mn)As,
S. Sanvito and N.A. Hill, J. Mag. Mag. Mat. 242, 441 (2002).
Why are there any magnetic ferroelectrics?, N.A.
Hill and A. Filippetti, J. Mag. Mag. Mat. 242, 976 (2002).
Influence of quantum confinement
on the ferromagnetism of (Ga,Mn)As diluted magnetic semiconductor,
S. Sapra, D.D. Sarma, S. Sanvito and N.A. Hill, Nanoletters
2, 605 (2002).
Coexistence of magnetism
and ferroelectricity in perovskites, A. Filippetti and
N.A. Hill, Phys. Rev. B, 65, 195120 (2002).
First principles search for multiferroism in BiCrO3,
N.A. Hill, P. Baettig and C. Daul, J. Phys. Chem. B 106, 3383 (2002).
Density functional calculations for III-V diluted ferromagnetic
semiconductors: a review, S. Sanvito, G. Theurich and N.A. Hill,
J. Supercon. 15, 85-104 (2002).
Prediction of enhanced ferromagnetism in (Ga,Mn)As by intrinsic
defect manipulation,
S. Sanvito and N.A. Hill, J. Mag. Mag. Mat. 238, 252 (2002).
2001
First principles study of structural, electronic and magnetic
interplay in ferroelectromagnetic yttrium manganite, A. Filippetti and
N.A. Hill, J. Mag. Mag. Mat. 236, 176 (2001).
Visualizing the role of Bi 6s "lone pairs" in the off-center
distortion in ferromagnetic BiMnO3, R. Seshadri and N.A. Hill,
Chemistry of Materials 13, 2892 (2001).
Self-consistent treatment
of spin-orbit coupling in solids using relativistic fully
separable ab initio pseudopotentials, G.J. Theurich and
N.A. Hill, Phys. Rev. B 64, 073106 (2001).
Ab-initio transport theory
for digital ferromagnetic heterostructures, S. Sanvito
and N.A. Hill, Phys. Rev. Lett. 87, 267202 (2001).
Influence of the local
As antisite distribution on ferromagnetism in (Ga, Mn)As,
S. Sanvito and N.A. Hill, Appl. Phys. Lett. 78,
3493 (2001).
First principles study
of the origin and nature of ferromagnetism in (Ga,Mn)As,
S. Sanvito, P. Ordejon, N.A. Hill, Phys. Rev. B 63,
165206 (2001).
Making the Fortran to C
transition; just how painful is it really?, G. Theurich,
B. Anson, N.A. Hill and A.J. Hill, Computing in Science and
Engineering, p.22, Jan/Feb 2001.
2000
Ground state of half-metallic
zincblende MnAs, S. Sanvito and N.A. Hill, Phys. Rev.
B 62, 15553 (2000).
Magnetic stress as a driving
force of structural distortions: The case of CrN, A. Filippetti
and N.A. Hill, Phys. Rev. Lett. 85, 5166 (2000).
First principles study
of strain/electronic interplay in ZnO; Stress and temperature
dependence of the piezoelectric constants, N.A. Hill and
U.V. Waghmare, Phys. Rev. B 62, 8802 (2000).
Why are there so few magnetic
ferroelectrics?, N.A. Hill, J. Phys. Chem. B 104,
6694-6709 (2000).
1999
Optical properties of Si-Ge
semiconductor nano-onions, N.A. Hill, S. Pokrant and A.J.
Hill, J. Phys. Chem. B 103, 3156 (1999).
First principles study
of ferromagnetism and ferroelectricity in bismuth manganite,
N.A. Hill and K.M. Rabe, Phys. Rev. B 59, 8759 (1999).
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