Department of Physics
226 Physics Building
825 West Dickson Street
University of Arkansas
Fayetteville, AR 72701
P 4795752506
F 4795756595
Email: physics@uark.edu
Faculty
Huaxiang Fu
Professor
J. William Fulbright College of Arts & Sciences
(PHYS)Physics
Phone: 4795758608
Email: hfu@uark.edu

Predicting Materials Properties via Computational Approach.

Developing Computational Approach for New Properties.
Properties which we are interested in:
Structural, Mechanical, Electromechanical, Electronic, Optical, Electrical, and Transport Properites.
We also investigate manybody effects and lattice vibrations.
Materials which we are interested in:
(1) Semiconductors (bulk and nanostructures),
(2) Ferroelectric and piezoelectric perovksite oxides (bulk and nanostructures),
(3) Organicinorganic hybrid composites.
(I) Courses taught or being taught

Undergraduate courses:
(1) General Physics
Textbook: Cutnell and Johnson, "Physics"(2) Statics
Textbook: J.L. Meriam and L.G. Kraig, "Statics"(3) Mechanics of Materials
Textbook: Riley, Sturges, Morris, "Mechanics of Materials"(4) E & M (undergraduate)
Textbook: D.J. Griffiths, "Introduction to Electrodynamics"(5) Programing using Fortran 90/95
Textbook: Chapman, "Fortran 90/95 for Scientists and Engineers"(6) Computational Physics using C++
Textbook: DeVries, "Computational Physics"; Prata, "C++ Primer Plus"(7) Physics for Architects II
Textbook: Y. Salu, "Physics for Architects"(8) Thermal Physics
Textbook: D.V. Schroeder "Thermal Physics"
================================================================Graduate Courses:
(9) Statistical Mechanics
Textbook: Pathria, "Statistical Mechanics"(10) Solid State Physics
Textbook: Ashcroft/Mermin, "Solid State Physics"(11) Optical Properties of Materials
Textbook: Yu and Cardona, "Fundamentals of Semiconductors"(12) Advanced Solid State Physics
(13) Physics at the Nanoscale
(14) Quantum Mechanics (I and II)
Textbook: R. Shankar, "Principles of Quantum Mechanics"(15) Mathematical Methods
Textbook: Arfken, Weber, and Harris, "Mathematical Methods for Physicists"
Ph. D. Fudan University, China, 1994
Postdoctoral Associate, National Renewable Energy Lab, Colorado (19951998);
Geophysical Lab, Carnegie Institution of Washington, DC (19992000).
Dr. Fu did his Ph.D. research under Professors Xie Xide and Ye Ling, and joined the University of Arkansas in 2002. His research interest is on the firstprinciples studies of bulks and nanomaterials. He is also interested in methodology, and recently initiated the study of nanoferroelectrics.

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 LightEmitting 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 1D1D'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) 273281. 
O.I. Micic, M. H. Cheong, Huaxiang Fu, Alex Zunger, J. Sprague, A. Macarenhasas, and A. J. Nozik;
Sizedependent spectroscopy of InP quantum dots,
J. Phys. Chem. 101 (1997) 49044912. 
A. Franceschetti, L.W. Wang, Huaxiang Fu, and Alex Zunger,
Longrange versus shortrange exchange interactions in semiconductor quantum dots,
Phys. Rev. B (Rapid Commun.) 58 (1998) R13367. 
A. Franceschetti, H. Fu, L.W. Wang, and A. Zunger,
Manybody 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 directgap bulk materials,
J. Electr. Material 28 (1999) 414. 
H. Fu and A. Zunger;
Localdensityderived semiempirical nonlocal pseudopotentials for InP with applications to large quantum dots,
Phys. Rev. B 55 (1997) 16421653. 
H. Fu and A. Zunger;
InP quantum dots: electronic structure, surface effects and the redshifted emission,
Phys. Rev. B 56 (1997) 14961508. 
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) 99719987. 
H. Fu and A. Zunger;
Quantumsize effects on the pressureinduced directtoindirect 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 organicinorganic 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
Firstprinciples 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 143150. 
H. Fu,
Electricfield effect in InP quantum films,
Phys. Rev. B 64 (2001) 075303. 
H. Fu,
Stark shifts, bandedge transitions, and intrinsic optical dipoles in spherical InP quantum dots under electric fields
Phys. Rev. B 65 (2002) 045320. 
H. Fu,
Bandedge states and optical properties of ordered Pb(Zr0.5Ti0.5)O3 from first principles
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2002), page 1725. 
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
Firstprinciples determination of electromechanical responses of solids under finite electric fields
Phys. Rev. Lett. 91 (2003) 057601. 
H. Fu and L. Bellaiche
Offcenter atomic displacements in BaTiO3 quantum dots
in "Fundamental Physics of Ferroelectrics" (AIP, New York, 2003), p 139145, 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
Densityfunctional study of organicinorganic 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: Firstprinciples 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
Organicinorganic hybrid semiconductor ZnSe(C2H8N2)1/2 under hydrostatic pressure
Phys. Rev. B 72 (2005) 075202. 
A. Nazzal and H. Fu (with LinWang Wang)
Electronic properties and tunability in Si quantum rings
J. Appl. Phys. 98 (2005) 083703 
I.I. Naumov and H. Fu
Spontaneous polarization in onedimensional Pb(ZrTi)O3 nanowires
Phys. Rev. Lett. 95 (2005) 247602 
I.I. Naumov and H. Fu
A new method for determining dipoledipole energy in 1D and 2D systems
Condmat 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 inorganicorganic hybrid crystal
Phys. Rev. Lett. 99 (2007) 215901. 
Z. Alahmed and H. Fu
Firstprinciples 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) 12771289. Manuscript copy 
Y. Yao and H. Fu
Densityfunctional 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. 
X. Fu, I.I. Naumov, and H. Fu
Collective dipole behavior and unusual morphotropic phase boundary in ferroelectric PZT nanowires
Nano. Lett. 13 (2013) 491. 
A. Raeliarijaona, S. Singh, H. Fu, and L. Bellaiche
Predicted coupling of the electromagnetic angular momentum density with magnetic moments
Phys. Rev. Lett. 110 (2013) 137205. 
H. Fu
Tunability of giant Rashba spin splitting in BiTeI
Phys. Rev. B 87 (2013) 075139. 
R. Adhikari and H. Fu
Interesting properties of ferroelectric PZT nanotube array embedded in matrix medium
J. Appl. Phys. 114 (2013) 044105. 
A. Raeliarijaona and H. Fu
Various evidences for the unusual polarization behaviors in epitaxially strained (111) BaTiO3
J. Appl. Phys. 115 (2014) 054105. 
R. Adhikari and H. Fu
Structureal and electronic properties of LaO deltadoped SrTiO3 caused by epitaxial strain
J. Appl. Phys. 116 (2014) 123712. 
H. Fu
Physical constraint and its consequence for hyperferroelectrics
J. Appl. Phys. 116 (2014) 164104. 
A. Raeliarijaona and H. Fu
Mode sequence, frequency change of nonsoft phonons, and LOTO splitting in strained tetragonal BaTiO3
Phys. Rev. B 92 (2015) 094303. 
A. Raeliarijaona and H. Fu
Persistence of strong and switchable ferroelectricity despite vacancies
Sci. Rep. 7 (2017) 41301. 
A. Raeliarijaona and H. Fu
Ferromagnetism in ferroelectric BaTiO3 induced by vacancies: Sensitive dependence on charge state, origin of magnetism, and temperature range of existence,
Phys. Rev. B 96 (2017) 144431.