Publications

H. Fu, and L. Ye;
Adsorption of potassium on a Si(111) surface,
Surface Science, 250 (1991) L373.
H. Fu, L. Ye, and Xide Xie;
A theoretical study of various effects on the wavelength of photoluminescence in silicon nanostructures,
J. Phys. C 5 (1993) 1221.
H. Fu, L. Ye, and Xide Xie;
Optical properties of Si nanostructures,
Phys. Rev. B 48 (1993) 10978.
Xun Wang, D. Huang, L. Ye, M. Yang, P. Hao, X.Y. Hou, Huaxiang Fu, and Xide Xie;
Pinning of Photoluminescence Peak Positions for Light-Emitting Porous Silicon: An Evidence of Quantum Size Effect,
Phys. Rev. Lett. 71 (1993) 1265.
H. Fu, L. Ye, and Xide Xie;
Optical properties for Graphene Microtubules of Different Geometries,
Solid State Commun. 91 (1994) 191.
H. Fu and Xide Xie;
Transport properties through 1D-1D'-1D quantum system,
Phys. Rev. B 50 (1994) 15009.
H. Fu, L. Ye, K. Zhang and Xide Xie;
Chemisorption of Mn on a GaAs(110) surface,
Surf. Sci. 341 (1995) 273-281.
O.I. Micic, M. H. Cheong, Huaxiang Fu, Alex Zunger, J. Sprague, A. Macarenhasas, and A. J. Nozik;
Size-dependent spectroscopy of InP quantum dots,
J. Phys. Chem. 101 (1997) 4904-4912.
A. Franceschetti, L.-W. Wang, Huaxiang Fu, and Alex Zunger,
Long-range versus short-range exchange interactions in semiconductor quantum dots,
Phys. Rev. B (Rapid Commun.) 58 (1998) R13367.
A. Franceschetti, H. Fu, L.-W. Wang, and A. Zunger,
Many-body pseudopotential theory of excitons in InP and CdSe quantum dots,
Phys. Rev. B 60 (1999) 1819.
A. Williamson, A. Franceschetti, H. Fu, L.-W. Wang, and A. Zunger,
Indirect band gap in quantum dots made from direct-gap bulk materials,
J. Electr. Material 28 (1999) 414.
H. Fu and A. Zunger;
Local-density-derived semiempirical nonlocal pseudopotentials for InP with applications to large quantum dots,
Phys. Rev. B 55 (1997) 1642-1653.
H. Fu and A. Zunger;
InP quantum dots: electronic structure, surface effects and the red-shifted emission,
Phys. Rev. B 56 (1997) 1496-1508.
H. Fu, L.-W. Wang, and A. Zunger;
Comparison of the k$\cdot $p and the direct diagonalization approached for describing the electronic structure of quantum dots,
Appl. Phys. Lett. 71 (1997) 3433.
H. Fu, L.-W. Wang, and A. Zunger;
Applicability of the k.p method to the electronic structures of quantum dots,
Phys. Rev. B 57 (1998) 9971-9987.
H. Fu and A. Zunger;
Quantum-size effects on the pressure-induced direct-to-indirect band gap transition in InP quantum dots,
Phys. Rev. Lett. 80 (1998) 5397.
H. Fu and A. Zunger;
Excitons in InP quantum dots,
Phys. Rev. B (Rapid Commun.) 57 (1998) R15064.
H. Fu, L.-W. Wang, and A. Zunger,
Excitonic exchange splitting in bulk semiconductors,
Phys. Rev. B 59 (1999) 5568.
H. Fu, V. Ozolins, and A. Zunger;
Phonons in GaP quantum dots,
Phys. Rev. B 59 (1999) 2881.
H. Fu and R.E. Cohen,
Polarization rotation mechanism for ultrahigh electromechanical response in single crystal piezoelectrics,
Nature (London), 403 (2000) 281.
X.Y. Huang, J. Li and H. Fu,
The first covalent organic-inorganic networks of hybrid chalcogenides: structures that may lead to a new type of quantum wells,
J. Am. Chem. Soc. 122 (2000) 8789.
S. Stolbov, H. Fu, R.E. Cohen, L. Bellaiche, D. Vanderbilt
Comparison of Electromechanical properties of BaTiO3 between LAPW and a model Hamiltonian
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2000), page 151.
R.E. Cohen, E. Heifets, and H. Fu
First-principles computation of elasticity of Pb(ZrTi)O3: the importance of elasticity in piezoelectrics
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2001), page 11.
H. Fu and R.E. Cohen,
Piezoelectric response from rotating polarization
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2000), page 143-150.
H. Fu,
Electric-field effect in InP quantum films,
Phys. Rev. B 64 (2001) 075303.
H. Fu,
Stark shifts, band-edge transitions, and intrinsic optical dipoles in spherical InP quantum dots under electric fields
Phys. Rev. B 65 (2002) 045320.
H. Fu,
Band-edge states and optical properties of ordered Pb(Zr0.5Ti0.5)O3 from first principles
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2002), page 17-25.
W. Su, X.Y. Huang, J. Li and H. Fu,
Crystal of semiconducting quantum dots built on covalently bonded T5 [In28Cd6S54]
J. Am. Chem. Soc. 124 (2002) 12944.
H. Fu and O. Gulseren
Piezoelectric Pb(Zr0.5Ti0.5)O3: Interplay of atomic ordering, ferroelectric soft modes, and pressure
Phys. Rev. B 66 (2002) 214114.
R.J. Ellingson, J.L. Blackburn, J. Nedeljkovic, G. Rumbles, M. Jones, H. Fu and A. Nozik
Theoretical and experimental investigation of electronic structure and relaxation of colloidal nanocrystalline indium phosphide quantum dots
Phys. Rev. B 67 (2003) 075308.
H. Fu and L. Bellaiche
First-principles determination of electromechanical responses of solids under finite electric fields
Phys. Rev. Lett. 91 (2003) 057601.
H. Fu and L. Bellaiche
Off-center atomic displacements in BaTiO3 quantum dots
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2003), p 139-145, ed. P.K. Davies and D.J. Singh
H. Fu and L. Bellaiche
Ferroelectricity in barium titante quantum dots and wires
Phys. Rev. Lett. 91 (2003) 257601.
H. Fu and J. Li
Density-functional study of organic-inorganic hybrid single crystal ZnSe(C2H8N2)1/2
J. Chem. Phys. 120 (2004) 6721.
I.I. Naumov, L. Bellaiche, and H. Fu
Unusual phase transitions in ferroelectric nanodisks
Nature (London) 432 (2004) 737.
I.I. Naumov and H. Fu
Phonon structure in SrTiO3 under finite electric fields: First-principles density functional approach
Phys. Rev. B 72 (2005) 012304.
D. Karanth and H. Fu
Large electromechanical response in ZnO and its microscopic origin
Phys. Rev. B 72 (2005) 064116.
A. Nazzal and H. Fu
Organic-inorganic hybrid semiconductor ZnSe(C2H8N2)1/2 under hydrostatic pressure
Phys. Rev. B 72 (2005) 075202.
A. Nazzal and H. Fu (with Lin-Wang Wang)
Electronic properties and tunability in Si quantum rings
J. Appl. Phys. 98 (2005) 083703
I.I. Naumov and H. Fu
Spontaneous polarization in one-dimensional Pb(ZrTi)O3 nanowires
Phys. Rev. Lett. 95 (2005) 247602
I.I. Naumov and H. Fu
A new method for determining dipole-dipole energy in 1D and 2D systems
Cond-mat 0505497 (2005) (This paper can be found only in archive site; it is not intended for publication elsewhere)
I. Ponomareva, I. Naumov, I. Kornev, L. Bellaiche, H. Fu
Modelling of nanoscale ferroelectrics from atomistic simulations,
Current Opinion in Solid State and Materials Science 9 (2006) 114
D. Karanth and H. Fu
Polarization ratio and effective mass in InP nanowires: effect of crystallographic axis
Phys. Rev. B 74 (2006) 155312
I.I. Naumov and H. Fu
Phase transformation path in Pb(ZrTi)O3 nanoparticles under homogeneous electric fields
Phys. Rev. Lett. 98 (2007) 077603.
Y. Zhang, Z. Islam, Y. Ren, P.A. Parilla, S.P. Ahrenkiel, P.L. Lee, A. Mascrenhas, M.J. McNevin, X.-Y. Huang, J. Li, I. Naumov and H. Fu
Zero thermal expansion in a nanostructured inorganic-organic hybrid crystal
Phys. Rev. Lett. 99 (2007) 215901.
Z. Alahmed and H. Fu
First-principles determination of chemical potentials and vacancy formation energies in PbTiO3 and BaTiO3
Phys. Rev. B 76 (2007) 224101.
Z. Alahmed and H. Fu
Polar semiconductor ZnO under inplane tensile strain
Phys. Rev. B 77 (2008) 045213.
I.I. Naumov and H. Fu
Cooperative response of Pb(ZrTi)O3 nanoparticles to curled electric fields
Phys. Rev. Lett. 101 (2008) 197601.
Y. Yao and H. Fu
Theory of the structure of electronic polarization
Phys. Rev. B 79 (2009) 014103.
A. Nazzal and H. Fu
Comparative theoretical study of the size dependent electronic and optical properties in CdS and CdSe spherical nanocrystals
Journal of Computational and Theoretical Nanoscience (invited article), 6 (2009) 1277-1289. Manuscript copy
Y. Yao and H. Fu
Density-functional theory study of Polarization saturation in strained ferroelectrics
Phys. Rev. B. 80 (2009) 035126.
Y. Yao and H. Fu
Strain dependencies of energetic, structural, and polarization properties in tetragonal (PbTiO3)/(SrTiO3) and (BaTiO3)/(SrTiO3) superlattices: a comparative study with bulks
arXiv: 1004.2878, submitted to PRB.
H. Fu
Unusual properties of nanoscale ferroelectrics
(invited book chapter, Oxford Handbook of Nanoscience and Technology, Oxford University Press, 2010)
Y. Yao and H. Fu
Influence of rotational instability on the polarization structure of SrTiO3
Phys. Rev. B 82 (2010) 174119.
Y. Yao and H. Fu
Charged vacancies in ferroelectric PbTiO3: Formation energies, optimal Fermi region, and influence on local polarization
Phys. Rev. B 84 (2011) 064112.

Publications

H. Fu, and L. Ye; Adsorption of potassium on a Si(111) surface, Surface Science, 250 (1991) L373.

H. Fu, L. Ye, and Xide Xie; A theoretical study of various effects on the wavelength of photoluminescence in silicon nanostructures, J. Phys. C 5 (1993) 1221.

H. Fu, L. Ye, and Xide Xie; Optical properties of Si nanostructures, Phys. Rev. B 48 (1993) 10978.

Xun Wang, D. Huang, L. Ye, M. Yang, P. Hao, X.Y. Hou, Huaxiang Fu, and Xide Xie; Pinning of Photoluminescence Peak Positions for Light-Emitting Porous Silicon: An Evidence of Quantum Size Effect, Phys. Rev. Lett. 71 (1993) 1265.

H. Fu, L. Ye, and Xide Xie; Optical properties for Graphene Microtubules of Different Geometries, Solid State Commun. 91 (1994) 191.

H. Fu and Xide Xie; Transport properties through 1D-1D'-1D quantum system, Phys. Rev. B 50 (1994) 15009.

H. Fu, L. Ye, K. Zhang and Xide Xie; Chemisorption of Mn on a GaAs(110) surface, Surf. Sci. 341 (1995) 273-281.

O.I. Micic, M. H. Cheong, Huaxiang Fu, Alex Zunger, J. Sprague, A. Macarenhasas, and A. J. Nozik; Size-dependent spectroscopy of InP quantum dots, J. Phys. Chem. 101 (1997) 4904-4912.

A. Franceschetti, L.-W. Wang, Huaxiang Fu, and Alex Zunger, Long-range versus short-range exchange interactions in semiconductor quantum dots, Phys. Rev. B (Rapid Commun.) 58 (1998) R13367.

A. Franceschetti, H. Fu, L.-W. Wang, and A. Zunger, Many-body pseudopotential theory of excitons in InP and CdSe quantum dots, Phys. Rev. B 60 (1999) 1819.

A. Williamson, A. Franceschetti, H. Fu, L.-W. Wang, and A. Zunger, Indirect band gap in quantum dots made from direct-gap bulk materials, J. Electr. Material 28 (1999) 414.

H. Fu and A. Zunger; Local-density-derived semiempirical nonlocal pseudopotentials for InP with applications to large quantum dots, Phys. Rev. B 55 (1997) 1642-1653.

H. Fu and A. Zunger; InP quantum dots: electronic structure, surface effects and the red-shifted emission, Phys. Rev. B 56 (1997) 1496-1508.

H. Fu, L.-W. Wang, and A. Zunger; Comparison of the k$\cdot $p and the direct diagonalization approached for describing the electronic structure of quantum dots, Appl. Phys. Lett. 71 (1997) 3433.

H. Fu, L.-W. Wang, and A. Zunger; Applicability of the k.p method to the electronic structures of quantum dots, Phys. Rev. B 57 (1998) 9971-9987.

H. Fu and A. Zunger; Quantum-size effects on the pressure-induced direct-to-indirect band gap transition in InP quantum dots, Phys. Rev. Lett. 80 (1998) 5397.

H. Fu and A. Zunger; Excitons in InP quantum dots, Phys. Rev. B (Rapid Commun.) 57 (1998) R15064.

H. Fu, L.-W. Wang, and A. Zunger, Excitonic exchange splitting in bulk semiconductors, Phys. Rev. B 59 (1999) 5568.

H. Fu, V. Ozolins, and A. Zunger; Phonons in GaP quantum dots, Phys. Rev. B 59 (1999) 2881.

H. Fu and R.E. Cohen, Polarization rotation mechanism for ultrahigh electromechanical response in single crystal piezoelectrics, Nature (London), 403 (2000) 281.

X.Y. Huang, J. Li and H. Fu, The first covalent organic-inorganic networks of hybrid chalcogenides: structures that may lead to a new type of quantum wells, J. Am. Chem. Soc. 122 (2000) 8789.

S. Stolbov, H. Fu, R.E. Cohen, L. Bellaiche, D. Vanderbilt Comparison of Electromechanical properties of BaTiO3 between LAPW and a model Hamiltonian in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2000), page 151.

R.E. Cohen, E. Heifets, and H. Fu First-principles computation of elasticity of Pb(ZrTi)O3: the importance of elasticity in piezoelectrics in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2001), page 11.

H. Fu and R.E. Cohen, Piezoelectric response from rotating polarization in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2000), page 143-150.

H. Fu, Electric-field effect in InP quantum films, Phys. Rev. B 64 (2001) 075303.

H. Fu, Stark shifts, band-edge transitions, and intrinsic optical dipoles in spherical InP quantum dots under electric fields Phys. Rev. B 65 (2002) 045320.

H. Fu, Band-edge states and optical properties of ordered Pb(Zr0.5Ti0.5)O3 from first principles in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2002), page 17-25.

W. Su, X.Y. Huang, J. Li and H. Fu, Crystal of semiconducting quantum dots built on covalently bonded T5 [In28Cd6S54] J. Am. Chem. Soc. 124 (2002) 12944.

H. Fu and O. Gulseren Piezoelectric Pb(Zr0.5Ti0.5)O3: Interplay of atomic ordering, ferroelectric soft modes, and pressure Phys. Rev. B 66 (2002) 214114.

R.J. Ellingson, J.L. Blackburn, J. Nedeljkovic, G. Rumbles, M. Jones, H. Fu and A. Nozik Theoretical and experimental investigation of electronic structure and relaxation of colloidal nanocrystalline indium phosphide quantum dots Phys. Rev. B 67 (2003) 075308.

H. Fu and L. Bellaiche First-principles determination of electromechanical responses of solids under finite electric fields Phys. Rev. Lett. 91 (2003) 057601.

H. Fu and L. Bellaiche Off-center atomic displacements in BaTiO3 quantum dots in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2003), p 139-145, ed. P.K. Davies and D.J. Singh

H. Fu and L. Bellaiche Ferroelectricity in barium titante quantum dots and wires Phys. Rev. Lett. 91 (2003) 257601.

H. Fu and J. Li Density-functional study of organic-inorganic hybrid single crystal ZnSe(C2H8N2)1/2 J. Chem. Phys. 120 (2004) 6721.

I.I. Naumov, L. Bellaiche, and H. Fu Unusual phase transitions in ferroelectric nanodisks Nature (London) 432 (2004) 737.

I.I. Naumov and H. Fu Phonon structure in SrTiO3 under finite electric fields: First-principles density functional approach Phys. Rev. B 72 (2005) 012304.

D. Karanth and H. Fu Large electromechanical response in ZnO and its microscopic origin Phys. Rev. B 72 (2005) 064116.

A. Nazzal and H. Fu Organic-inorganic hybrid semiconductor ZnSe(C2H8N2)1/2 under hydrostatic pressure Phys. Rev. B 72 (2005) 075202.

A. Nazzal and H. Fu (with Lin-Wang Wang) Electronic properties and tunability in Si quantum rings J. Appl. Phys. 98 (2005) 083703

I.I. Naumov and H. Fu Spontaneous polarization in one-dimensional Pb(ZrTi)O3 nanowires Phys. Rev. Lett. 95 (2005) 247602

I.I. Naumov and H. Fu A new method for determining dipole-dipole energy in 1D and 2D systems Cond-mat 0505497 (2005) (This paper can be found only in archive site; it is not intended for publication elsewhere)

I. Ponomareva, I. Naumov, I. Kornev, L. Bellaiche, H. Fu Modelling of nanoscale ferroelectrics from atomistic simulations, Current Opinion in Solid State and Materials Science 9 (2006) 114

D. Karanth and H. Fu Polarization ratio and effective mass in InP nanowires: effect of crystallographic axis Phys. Rev. B 74 (2006) 155312

I.I. Naumov and H. Fu Phase transformation path in Pb(ZrTi)O3 nanoparticles under homogeneous electric fields Phys. Rev. Lett. 98 (2007) 077603.

Y. Zhang, Z. Islam, Y. Ren, P.A. Parilla, S.P. Ahrenkiel, P.L. Lee, A. Mascrenhas, M.J. McNevin, X.-Y. Huang, J. Li, I. Naumov and H. Fu Zero thermal expansion in a nanostructured inorganic-organic hybrid crystal Phys. Rev. Lett. 99 (2007) 215901.

Z. Alahmed and H. Fu First-principles determination of chemical potentials and vacancy formation energies in PbTiO3 and BaTiO3 Phys. Rev. B 76 (2007) 224101.

Z. Alahmed and H. Fu Polar semiconductor ZnO under inplane tensile strain Phys. Rev. B 77 (2008) 045213.

I.I. Naumov and H. Fu Cooperative response of Pb(ZrTi)O3 nanoparticles to curled electric fields Phys. Rev. Lett. 101 (2008) 197601.

Y. Yao and H. Fu Theory of the structure of electronic polarization Phys. Rev. B 79 (2009) 014103.

A. Nazzal and H. Fu Comparative theoretical study of the size dependent electronic and optical properties in CdS and CdSe spherical nanocrystals Journal of Computational and Theoretical Nanoscience (invited article), 6 (2009) 1277-1289. Manuscript copy

Y. Yao and H. Fu Density-functional theory study of Polarization saturation in strained ferroelectrics Phys. Rev. B. 80 (2009) 035126.

Y. Yao and H. Fu Strain dependencies of energetic, structural, and polarization properties in tetragonal (PbTiO3)/(SrTiO3) and (BaTiO3)/(SrTiO3) superlattices: a comparative study with bulks arXiv: 1004.2878, submitted to PRB.

H. Fu Unusual properties of nanoscale ferroelectrics (invited book chapter, Oxford Handbook of Nanoscience and Technology, Oxford University Press, 2010)

Y. Yao and H. Fu Influence of rotational instability on the polarization structure of SrTiO3 Phys. Rev. B 82 (2010) 174119.

Y. Yao and H. Fu Charged vacancies in ferroelectric PbTiO3: Formation energies, optimal Fermi region, and influence on local polarization Phys. Rev. B 84 (2011) 064112.

H. Fu, and L. Ye;
Adsorption of potassium on a Si(111) surface,
Surface Science, 250 (1991) L373.

H. Fu, L. Ye, and Xide Xie;
A theoretical study of various effects on the wavelength of photoluminescence in silicon nanostructures,
J. Phys. C 5 (1993) 1221.

H. Fu, L. Ye, and Xide Xie;
Optical properties of Si nanostructures,
Phys. Rev. B 48 (1993) 10978.

Xun Wang, D. Huang, L. Ye, M. Yang, P. Hao, X.Y. Hou, Huaxiang Fu, and Xide Xie;
Pinning of Photoluminescence Peak Positions for Light-Emitting Porous Silicon: An Evidence of Quantum Size Effect,
Phys. Rev. Lett. 71 (1993) 1265.

H. Fu, L. Ye, and Xide Xie;
Optical properties for Graphene Microtubules of Different Geometries,
Solid State Commun. 91 (1994) 191.

H. Fu and Xide Xie;
Transport properties through 1D-1D'-1D quantum system,
Phys. Rev. B 50 (1994) 15009.

H. Fu, L. Ye, K. Zhang and Xide Xie;
Chemisorption of Mn on a GaAs(110) surface,
Surf. Sci. 341 (1995) 273-281.

O.I. Micic, M. H. Cheong, Huaxiang Fu, Alex Zunger, J. Sprague, A. Macarenhasas, and A. J. Nozik;
Size-dependent spectroscopy of InP quantum dots,
J. Phys. Chem. 101 (1997) 4904-4912.

A. Franceschetti, L.-W. Wang, Huaxiang Fu, and Alex Zunger,
Long-range versus short-range exchange interactions in semiconductor quantum dots,
Phys. Rev. B (Rapid Commun.) 58 (1998) R13367.

A. Franceschetti, H. Fu, L.-W. Wang, and A. Zunger,
Many-body pseudopotential theory of excitons in InP and CdSe quantum dots,
Phys. Rev. B 60 (1999) 1819.

A. Williamson, A. Franceschetti, H. Fu, L.-W. Wang, and A. Zunger,
Indirect band gap in quantum dots made from direct-gap bulk materials,
J. Electr. Material 28 (1999) 414.

H. Fu and A. Zunger;
Local-density-derived semiempirical nonlocal pseudopotentials for InP with applications to large quantum dots,
Phys. Rev. B 55 (1997) 1642-1653.

H. Fu and A. Zunger;
InP quantum dots: electronic structure, surface effects and the red-shifted emission,
Phys. Rev. B 56 (1997) 1496-1508.

H. Fu, L.-W. Wang, and A. Zunger;
Comparison of the k$\cdot $p and the direct diagonalization approached for describing the electronic structure of quantum dots,
Appl. Phys. Lett. 71 (1997) 3433.

H. Fu, L.-W. Wang, and A. Zunger;
Applicability of the k.p method to the electronic structures of quantum dots,
Phys. Rev. B 57 (1998) 9971-9987.

H. Fu and A. Zunger;
Quantum-size effects on the pressure-induced direct-to-indirect band gap transition in InP quantum dots,
Phys. Rev. Lett. 80 (1998) 5397.

H. Fu and A. Zunger;
Excitons in InP quantum dots,
Phys. Rev. B (Rapid Commun.) 57 (1998) R15064.

H. Fu, L.-W. Wang, and A. Zunger,
Excitonic exchange splitting in bulk semiconductors,
Phys. Rev. B 59 (1999) 5568.

H. Fu, V. Ozolins, and A. Zunger;
Phonons in GaP quantum dots,
Phys. Rev. B 59 (1999) 2881.

H. Fu and R.E. Cohen,
Polarization rotation mechanism for ultrahigh electromechanical response in single crystal piezoelectrics,
Nature (London), 403 (2000) 281.

X.Y. Huang, J. Li and H. Fu,
The first covalent organic-inorganic networks of hybrid chalcogenides: structures that may lead to a new type of quantum wells,
J. Am. Chem. Soc. 122 (2000) 8789.

S. Stolbov, H. Fu, R.E. Cohen, L. Bellaiche, D. Vanderbilt
Comparison of Electromechanical properties of BaTiO3 between LAPW and a model Hamiltonian
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2000), page 151.

R.E. Cohen, E. Heifets, and H. Fu
First-principles computation of elasticity of Pb(ZrTi)O3: the importance of elasticity in piezoelectrics
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2001), page 11.

H. Fu and R.E. Cohen,
Piezoelectric response from rotating polarization
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2000), page 143-150.

H. Fu,
Electric-field effect in InP quantum films,
Phys. Rev. B 64 (2001) 075303.

H. Fu,
Stark shifts, band-edge transitions, and intrinsic optical dipoles in spherical InP quantum dots under electric fields
Phys. Rev. B 65 (2002) 045320.

H. Fu,
Band-edge states and optical properties of ordered Pb(Zr0.5Ti0.5)O3 from first principles
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2002), page 17-25.

W. Su, X.Y. Huang, J. Li and H. Fu,
Crystal of semiconducting quantum dots built on covalently bonded T5 [In28Cd6S54]
J. Am. Chem. Soc. 124 (2002) 12944.

H. Fu and O. Gulseren
Piezoelectric Pb(Zr0.5Ti0.5)O3: Interplay of atomic ordering, ferroelectric soft modes, and pressure
Phys. Rev. B 66 (2002) 214114.

R.J. Ellingson, J.L. Blackburn, J. Nedeljkovic, G. Rumbles, M. Jones, H. Fu and A. Nozik
Theoretical and experimental investigation of electronic structure and relaxation of colloidal nanocrystalline indium phosphide quantum dots
Phys. Rev. B 67 (2003) 075308.

H. Fu and L. Bellaiche
First-principles determination of electromechanical responses of solids under finite electric fields
Phys. Rev. Lett. 91 (2003) 057601.

H. Fu and L. Bellaiche
Off-center atomic displacements in BaTiO3 quantum dots
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2003), p 139-145, ed. P.K. Davies and D.J. Singh

H. Fu and L. Bellaiche
Ferroelectricity in barium titante quantum dots and wires
Phys. Rev. Lett. 91 (2003) 257601.

H. Fu and J. Li
Density-functional study of organic-inorganic hybrid single crystal ZnSe(C2H8N2)1/2
J. Chem. Phys. 120 (2004) 6721.

I.I. Naumov, L. Bellaiche, and H. Fu
Unusual phase transitions in ferroelectric nanodisks
Nature (London) 432 (2004) 737.

I.I. Naumov and H. Fu
Phonon structure in SrTiO3 under finite electric fields: First-principles density functional approach
Phys. Rev. B 72 (2005) 012304.

D. Karanth and H. Fu
Large electromechanical response in ZnO and its microscopic origin
Phys. Rev. B 72 (2005) 064116.

A. Nazzal and H. Fu
Organic-inorganic hybrid semiconductor ZnSe(C2H8N2)1/2 under hydrostatic pressure
Phys. Rev. B 72 (2005) 075202.

A. Nazzal and H. Fu (with Lin-Wang Wang)
Electronic properties and tunability in Si quantum rings
J. Appl. Phys. 98 (2005) 083703

I.I. Naumov and H. Fu
Spontaneous polarization in one-dimensional Pb(ZrTi)O3 nanowires
Phys. Rev. Lett. 95 (2005) 247602

I.I. Naumov and H. Fu
A new method for determining dipole-dipole energy in 1D and 2D systems
Cond-mat 0505497 (2005) (This paper can be found only in archive site; it is not intended for publication elsewhere)

I. Ponomareva, I. Naumov, I. Kornev, L. Bellaiche, H. Fu
Modelling of nanoscale ferroelectrics from atomistic simulations,
Current Opinion in Solid State and Materials Science 9 (2006) 114

D. Karanth and H. Fu
Polarization ratio and effective mass in InP nanowires: effect of crystallographic axis
Phys. Rev. B 74 (2006) 155312

I.I. Naumov and H. Fu
Phase transformation path in Pb(ZrTi)O3 nanoparticles under homogeneous electric fields
Phys. Rev. Lett. 98 (2007) 077603.

Y. Zhang, Z. Islam, Y. Ren, P.A. Parilla, S.P. Ahrenkiel, P.L. Lee, A. Mascrenhas, M.J. McNevin, X.-Y. Huang, J. Li, I. Naumov and H. Fu
Zero thermal expansion in a nanostructured inorganic-organic hybrid crystal
Phys. Rev. Lett. 99 (2007) 215901.

Z. Alahmed and H. Fu
First-principles determination of chemical potentials and vacancy formation energies in PbTiO3 and BaTiO3
Phys. Rev. B 76 (2007) 224101.

Z. Alahmed and H. Fu
Polar semiconductor ZnO under inplane tensile strain
Phys. Rev. B 77 (2008) 045213.

I.I. Naumov and H. Fu
Cooperative response of Pb(ZrTi)O3 nanoparticles to curled electric fields
Phys. Rev. Lett. 101 (2008) 197601.

Y. Yao and H. Fu
Theory of the structure of electronic polarization
Phys. Rev. B 79 (2009) 014103.

A. Nazzal and H. Fu
Comparative theoretical study of the size dependent electronic and optical properties in CdS and CdSe spherical nanocrystals
Journal of Computational and Theoretical Nanoscience (invited article), 6 (2009) 1277-1289. Manuscript copy

Y. Yao and H. Fu
Density-functional theory study of Polarization saturation in strained ferroelectrics
Phys. Rev. B. 80 (2009) 035126.

Y. Yao and H. Fu
Strain dependencies of energetic, structural, and polarization properties in tetragonal (PbTiO3)/(SrTiO3) and (BaTiO3)/(SrTiO3) superlattices: a comparative study with bulks
arXiv: 1004.2878, submitted to PRB.

H. Fu
Unusual properties of nanoscale ferroelectrics
(invited book chapter, Oxford Handbook of Nanoscience and Technology, Oxford University Press, 2010)

Y. Yao and H. Fu
Influence of rotational instability on the polarization structure of SrTiO3
Phys. Rev. B 82 (2010) 174119.

Y. Yao and H. Fu
Charged vacancies in ferroelectric PbTiO3: Formation energies, optimal Fermi region, and influence on local polarization
Phys. Rev. B 84 (2011) 064112.