Department of Physics and Astronomy Stony Brook University Stony Brook, NY 117943800 office: Physics B146 email: philip.allen@stonybrook.edu

Renata Wentzcovitch, organizer, and P. B. Allen, attendee 
Present Members of my Group:Jian LiuJeanPaul Nery Former Members of my Group:Postdocs, StudentsFamily 
P. B. Allen (center) with (left to right) former student Jaroslav Fabian, former secretary Audra Weiser, former student and former faculty colleague Jainendra Jain, and former student Tim Beaulac. Photo by Vasili Perebeinos, at the alumni reunion June 1618, 2000. 
Recent Publications
K. Umemoto, R. M. Wentzcovitch, and P. B. Allen,
"Dissociation of MgSiO_{3} in the Cores of Gas Giants and
Terrestrial Exoplanets,"
Science 311, 983986 (2006).
P. B. Allen, Y.R. Chen, S. Chaudhuri, and C. P. Grey,
"Octahedral Tilt Instability of ReO_{3}type Crystals"
condmat/0311014
Phys. Rev. B 73,
172102 (2006).
A. V. Shytov and P. B. Allen,
"Electronic Polarity of Nanoclusters: Quantum and ManyBody
Effects,"
condmat/0509124
Phys. Rev. B 74,
075419:16 (2006).
Philip
B. Allen, Electron
Transport,
in Conceptual Foundations of Material Properties:A standard model for calculation of ground
and excitedstate properties
M. L. Cohen and S. G. Louie, editors (Elsevier,
Philip B. Allen, "Nanocrystalline Nanowires I: Structure" Nano Letters 7, 610 (2007).
Philip B. Allen, "Nanocrystalline Nanowires II: Phonons" Nano Letters 7, 1114 (2007).Philip B. Allen, "Nanocrystalline Nanowires III: Electrons" Nano Letters 7, 12201223 (2007).
Xiao Shen, Philip B. Allen, James T. Muckerman, James W.
Davenport, and JinCheng Zheng,
"Wire versus Tube: Stability of Small ZnO Nanostructures," Nano
Letters7, 22672271
(2007).
Yulia Gilman, Philip B. Allen, and Mark S. Hybertsen,
"DensityFunctional Study of Adsorption of Isocyanides on the Gold
(111) Surface,"
condmat/0411320,
J. Phys. Chem. C 112, 33143320 (2008).
Tao Sun, Philip B. Allen, David G. Stahnke, Steven D. Jacobsen,
and Christopher C. Homes,
"Infrared Optical Properties of Ferropericlase (Mg_{1x}Fe_{x}O):
Experiment and Theory,"
condmat/0704.2267,
Phys. Rev. B 77, 134303:17 (2008).
Xiao Shen, Philip B. Allen, Mark S. Hybertsen, and James T.
Muckerman,
"Water Adsorption on the GaN (1010) Nonpolar Surface," J. Phys.
Chem. C Letters 113, 33653368 (2009).
M. Thompson, X. Shen, and P. B. Allen,
"Density Functional Calculation of Electronic Structure and Phonon
Spectra of Na_{2}O," Phys. Rev. B 79, 113108:13
(2009).
X. Shen, Y. A. Small, J. Wang, P. B. Allen, M. V.
FernandezSerra, M. S. Hybertsen, and J. T. Muckerman,
"Photocatalytic Water Oxidation at the GaN (101bar1)Water
Interface," J. Phys. Chem. C 114, 1369513704 (2010).
T. Sun, X. Shen, and P. B. Allen, “Phonon quasiparticles and anharmonic perturbation theory tested by molecular dynamics on a model system,” Phys. Rev. B 82, 224304:110 (2010).
T. Sun and P. B. Allen, “Lattice thermal conductivity:
Computations and theory of the hightemperature breakdown of the
phonongas model,” Phys. Rev. B 82, 224305:114
(2010).
Li Li, J. T.
Muckerman, M. S. Hybertsen, and P. B. Allen, “Phase diagram,
structure, and electronic properties of (Ga_{1x}Zn_{x})(N_{1x}O_{x})
solid solutions from DFTbased simulations,” Phys. Rev. B 83, 134202:16 (2011).
B. Pamuk, J.
M. Soler,
R. Ramírez, C. P. Herrero, P. W. Stephens, P. B. Allen, and
M.V.
FernándezSerra, “Anomalous Nuclear Quantum Effects in Ice,”
Phys. Rev. Lett. 108,
193003 (2012).
P. B. Allen,
T. Berlijn,
D. A. Casavant, and J. M. Soler, “Recovering hidden Bloch
character: Unfolding
electrons, phonons, and slabs,” Phys. Rev. B 87, 085322:110 (2013); erratum Phys. Rev. B 87,
239904 (2013).
Q. Zhu, Li Li, A. R. Oganov, and P. B. Allen, “Evolutionary
Method
for Predicting Surface Reconstructions with Variable
Stoichiometry,”
Phys. Rev. B 87,
195317:18 (2013).
P. B. Allen, “Improved Callaway model
for Lattice
Thermal Conductivity,” Phys. Rev. B 88,
144302:15 (2013).
Jian Liu, Luana S. Pedroza, Carissa
Misch, Maria
V FernándezSerra, and Philip B Allen, “Temperature and
composition dependence of
shortrange order and entropy, and statistics of bond length:
the semiconductor
alloy (GaN)_{1x}(ZnO)_{x},” J. Phys.
Condensed Mat. 26,
June 17. 2014 (in press).
Preprints Available:
Philip B. Allen, W. Garber, and L. Angelani,
"Character of Atomic Vibrations in a LennardJones Glass"
condmat/0307435
Philip B. Allen,
"Electron SelfEnergy and Generalized Drude Formula for Infrared
Conductivity of Metals,"
condmat/0407777.
Christian Schmidt, Philip B. Allen, Mark R. Pederson, and Tunna
Baruah,
"Evolution of Electronic and Vibrational Polarity of NaF
Nanocrystals from Diatomic to Bulk: A Density Functional Study,"
condmat/0411009.
Xiao Shen, Mark R. Pederson,
JinCheng Zheng, James W. Davenport, James T. Muckerman, and
Philip B. Allen,
"Electronic Structure of ZnO nanowire,"
condmat/0610002.
Pedagogical Review: "Electron
Transport" published in Contemporary
Concepts of Condensed Matter Science, v. 2 "Conceptual
Foundations
of
Materials:
A
Standard
Model
for Ground and ExcitedState Properties," edited by
S. G. Louie and M. L. Cohen (Elsevier, Amsterdam, 2006) Ch.
6, pp. 165218. 
Pedagogical Review: "Electron Pairing: How and Why?" published in High Temperature Superconductivity, edited by J. W. Lynn (Springer, New York, 1990) Ch. 9, pp. 303342. 
pdf Copies of HardtoAccess Papers:
W. H. Butler and P. B. Allen, "Gap
Anisotropy and Tc Enhancement: General Theory, and
Calculations for Nb, Using Fermi Surface Harmonics," in Superconductivity in d and fBand
Metals (Second Rochester Conference), edited by D. H.
Douglass (Plenum, New York, 1976) pp. 73120.
P. B. Allen, "Theory
of Resistivity Saturation," in Superconductivity in d and fBand Metals (Third
Rochester Conference, San Diego), edited by H. Suhl and
M. B. Maple (Academic Press, New York, 1980) pp. 291304.
P. B. Allen, "Resistivity
Saturation," in Physics
of Transition Metals, 1980, edited by P. Rhodes
(Institute of Physics Conference Series Number 55, IOP, Bristol
and London, 1981), pp. 425433.
P. B. Allen, "ElectronPhonon
Coupling Constants", in Handbook of Superconductivity,
edited by Charles P. Poole Jr. (Academic Press, San Diego, 2000)
Ch. 9G, pp. 478489.
P. B. Allen, "Single
Particle versus Collective Electronic Excitations,''
in From Quantum Mechanics to Technology, edited by Z.
Petru, J. Przystawa, and K. Rapcewicz (Springer, Berlin, 1996)
pp. 125141.
P. B. Allen, Z. Fisk, and A. Migliori, "Normal
State Transport and Elastic Properties of High Tc
Materials and Related Compounds," in Physical Properties of High
Temperature Superconductors I, edited by D. M. Ginsberg
(World Scientific, Singapore, 1989) pp. 213264.
P. B. Allen, "Boltzmann
Theory and Resistivity of Metals," in Quantum Theory
of Real Materials, edited by J. R. Chelikowsky and S. G.
Louie (Kluwer, Boston, 1996) Ch. 17, pp. 219250.
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Philip B. Allen
Department of Physics and Astronomy Office: (631) 6328179
Stony Brook University FAX: (631) 6324977
Stony Brook, NY 117943800 Email:philip.allen@stonybrook.edu
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revised 6/6/2014