Department of Physics and Astronomy
Stony Brook University
Stony Brook, NY 11794-3800
office: Physics B-146
Renata Wentzcovitch, organizer, and P. B. Allen, attendee
Present Members of my Group:Jian Liu
Former Members of my Group:Postdocs, Students
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 16-18, 2000.
K. Umemoto, R. M. Wentzcovitch, and P. B. Allen,
"Dissociation of MgSiO3 in the Cores of Gas Giants and Terrestrial Exoplanets,"
Science 311, 983-986 (2006).
P. B. Allen, Y.-R. Chen, S. Chaudhuri, and C. P. Grey,
"Octahedral Tilt Instability of ReO3-type Crystals"
cond-mat/0311014 Phys. Rev. B 73, 172102 (2006).
A. V. Shytov and P. B. Allen,
"Electronic Polarity of Nanoclusters: Quantum and Many-Body Effects,"
cond-mat/0509124 Phys. Rev. B 74, 075419:1-6 (2006).
B. Allen, Electron
in Conceptual Foundations of Material Properties:A standard model for calculation of ground- and excited-state properties
M. L. Cohen and S. G. Louie, editors (Elsevier,
Philip B. Allen, "Nanocrystalline Nanowires I: Structure" Nano Letters 7, 6-10 (2007).Philip B. Allen, "Nanocrystalline Nanowires II: Phonons" Nano Letters 7, 11-14 (2007).
Philip B. Allen, "Nanocrystalline Nanowires III: Electrons" Nano Letters 7, 1220-1223 (2007).
Xiao Shen, Philip B. Allen, James T. Muckerman, James W.
Davenport, and Jin-Cheng Zheng,
"Wire versus Tube: Stability of Small ZnO Nanostructures," Nano Letters7, 2267-2271 (2007).
Yulia Gilman, Philip B. Allen, and Mark S. Hybertsen,
"Density-Functional Study of Adsorption of Isocyanides on the Gold (111) Surface,"
cond-mat/0411320, J. Phys. Chem. C 112, 3314-3320 (2008).
Tao Sun, Philip B. Allen, David G. Stahnke, Steven D. Jacobsen,
and Christopher C. Homes,
"Infrared Optical Properties of Ferropericlase (Mg1-xFexO): Experiment and Theory,"
cond-mat/0704.2267, Phys. Rev. B 77, 134303:1-7 (2008).
Xiao Shen, Philip B. Allen, Mark S. Hybertsen, and James T.
"Water Adsorption on the GaN (1010) Nonpolar Surface," J. Phys. Chem. C Letters 113, 3365-3368 (2009).
M. Thompson, X. Shen, and P. B. Allen,
"Density Functional Calculation of Electronic Structure and Phonon Spectra of Na2O," Phys. Rev. B 79, 113108:1-3 (2009).
X. Shen, Y. A. Small, J. Wang, P. B. Allen, M. V.
Fernandez-Serra, M. S. Hybertsen, and J. T. Muckerman,
"Photocatalytic Water Oxidation at the GaN (101bar1)-Water Interface," J. Phys. Chem. C 114, 13695-13704 (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, 224304:1-10 (2010).
T. Sun and P. B. Allen, “Lattice thermal conductivity: Computations and theory of the high-temperature breakdown of the phonon-gas model,” Phys. Rev. B 82, 224305:1-14 (2010).
Li Li, J. T.
Muckerman, M. S. Hybertsen, and P. B. Allen, “Phase diagram,
structure, and electronic properties of (Ga1-xZnx)(N1-xOx)
solid solutions from DFT-based simulations,” Phys. Rev. B 83, 134202:1-6 (2011).
B. Pamuk, J. M. Soler, R. Ramírez, C. P. Herrero, P. W. Stephens, P. B. Allen, and M.-V. Fernández-Serra, “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, 085322:1-10 (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, 195317:1-8 (2013).
P. B. Allen, “Improved Callaway model for Lattice Thermal Conductivity,” Phys. Rev. B 88, 144302:1-5 (2013).
Jian Liu, Luana S. Pedroza, Carissa Misch, Maria V Fernández-Serra, and Philip B Allen, “Temperature and composition dependence of short-range order and entropy, and statistics of bond length: the semiconductor alloy (GaN)1-x(ZnO)x,” J. Phys. Condensed Mat. 26, June 17. 2014 (in press).
Philip B. Allen, W. Garber, and L. Angelani,
"Character of Atomic Vibrations in a Lennard-Jones Glass"
Philip B. Allen,
"Electron Self-Energy and Generalized Drude Formula for Infrared Conductivity of Metals,"
Christian Schmidt, Philip B. Allen, Mark R. Pederson, and Tunna
"Evolution of Electronic and Vibrational Polarity of NaF Nanocrystals from Diatomic to Bulk: A Density Functional Study,"
Xiao Shen, Mark R. Pederson,
Jin-Cheng Zheng, James W. Davenport, James T. Muckerman, and
Philip B. Allen,
"Electronic Structure of ZnO nanowire,"
|Pedagogical Review: "Electron
Transport" published in Contemporary
Concepts of Condensed Matter Science, v. 2 "Conceptual
for Ground- and Excited-State Properties," edited by
S. G. Louie and M. L. Cohen (Elsevier, Amsterdam, 2006) Ch.
6, pp. 165-218.
|Pedagogical Review: "Electron Pairing: How and Why?" published in High Temperature Superconductivity, edited by J. W. Lynn (Springer, New York, 1990) Ch. 9, pp. 303-342.|
|Notes Available:||Linear Response Theory (short)||Powerpoint presentations:||Phonons|
|Linear Response Theory (long)||history of DFT|
|Poisson sum formula|
|2 by 2 matrix algebra|
|Spin-resolved electron relaxation|
|Eliashberg Tc fortran code (1974)|
|Electrons in graphene -- massless Dirac electrons and Berry phase|
pdf Copies of Hard-to-Access 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 f-Band
Metals (Second Rochester Conference), edited by D. H.
Douglass (Plenum, New York, 1976) pp. 73-120.
P. B. Allen, "Theory of Resistivity Saturation," in Superconductivity in d- and f-Band Metals (Third Rochester Conference, San Diego), edited by H. Suhl and M. B. Maple (Academic Press, New York, 1980) pp. 291-304.
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. 425-433.
P. B. Allen, "Electron-Phonon Coupling Constants", in Handbook of Superconductivity, edited by Charles P. Poole Jr. (Academic Press, San Diego, 2000) Ch. 9G, pp. 478-489.
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. 125-141.
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. 213-264.
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. 219-250.
Philip B. Allen
Department of Physics and Astronomy Office: (631) 632-8179
Stony Brook University FAX: (631) 632-4977
Stony Brook, NY 11794-3800 E-mail:email@example.com