Dimitrios A. Papaconstantopoulos - Publications

Affiliations: 
Computational and Data Sciences George Mason University, Washington, DC 
Area:
Density Functional Theory, Augmented Plane Wave, First-principles computations
Website:
http://cds.gmu.edu/node/36

142 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Silayi S, Papaconstantopoulos DA, Mehl MJ. A tight-binding molecular dynamics study of the noble metals Cu, Ag and Au Computational Materials Science. 146: 278-286. DOI: 10.1016/J.Commatsci.2018.01.046  1
2016 Durgavich J, Sayed S, Papaconstantopoulos D. Extension of the NRL tight-binding method to include f orbitals and applications in Th, Ac, La and Yb Computational Materials Science. 112: 395-404. DOI: 10.1016/J.Commatsci.2015.11.001  1
2015 Papaconstantopoulos DA, Klein BM, Mehl MJ, Pickett WE. Cubic H3S around 200 GPa: An atomic hydrogen superconductor stabilized by sulfur Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.184511  1
2015 Koufos AP, Papaconstantopoulos DA. Pressure-Induced Insulator to Metal Transition and Superconductivity of the Inert Gases Journal of Superconductivity and Novel Magnetism. 28: 3525-3533. DOI: 10.1007/S10948-015-3213-4  0.44
2014 Koufos AP, Papaconstantopoulos DA, Mehl MJ. First-principles study of the electronic structure of iron-selenium: Implications for electron-phonon superconductivity Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.035150  1
2014 McGrady JW, Papaconstantopoulos DA, Mehl MJ. Tight-Binding study of Boron structures Journal of Physics and Chemistry of Solids. 75: 1106-1112. DOI: 10.1016/J.Jpcs.2014.05.003  1
2013 Shabaev A, Hoang K, Papaconstantopoulos DA, Mehl MJ, Kioussis N. Tight-binding studies of bulk properties and hydrogen vacancies in KBH 4 Computational Materials Science. 79: 888-895. DOI: 10.1016/J.Commatsci.2013.06.055  1
2013 Koufos AP, Papaconstantopoulos DA. Electronic structure of francium International Journal of Quantum Chemistry. 113: 2070-2077. DOI: 10.1002/Qua.24466  0.44
2012 Sha XW, Economou EN, Papaconstantopoulos DA, Pederson MR, Mehl MJ, Kafesaki M. Possible molecular bottom-up approach to optical metamaterials Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.115404  1
2011 Sha XW, Papaconstantopoulos DA, Mehl MJ, Bernstein N. Tight-binding study of hcp Zn and Cd Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.184109  1
2011 Liu X, Feldman JL, Cahill DG, Yang HS, Crandall RS, Bernstein N, Photiadis DM, Mehl MJ, Papaconstantopoulos DA. Anomalously high thermal conductivity of amorphous silicon films prepared by hot-wire chemical vapor deposition Chinese Journal of Physics. 49: 359-368.  1
2010 Papaconstantopoulos DA, Mehl MJ, Johannes MD. Tight-binding Hamiltonian for LaOFeAs Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.054503  1
2010 Shabaev A, Papaconstantopoulos DA, Mehl MJ, Bernstein N. First-principles calculations and tight-binding molecular dynamics simulations of the palladium-hydrogen system Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.184103  1
2010 Nixon LW, Papaconstantopoulos DA. Electronic structure and superconductivity of europium Physica C: Superconductivity and Its Applications. 470: 709-715. DOI: 10.1016/J.Physc.2010.07.004  1
2009 Liu X, Feldman JL, Cahill DG, Crandall RS, Bernstein N, Photiadis DM, Mehl MJ, Papaconstantopoulos DA. High thermal conductivity of a hydrogenated amorphous silicon film. Physical Review Letters. 102: 035901. PMID 19257371 DOI: 10.1103/Physrevlett.102.035901  1
2009 Lekka CE, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Properties of bcc metals by tight-binding total energy simulations Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 163: 8-16. DOI: 10.1016/J.Mseb.2009.04.014  1
2009 Lekka CE, Papaconstantopoulos DA, Mehl MJ, Finkenstadt D, Evangelakis G. Static and dynamic tight-binding simulations of the binary NbMo and CuZr alloys Journal of Alloys and Compounds. 483: 627-631. DOI: 10.1016/J.Jallcom.2008.07.219  1
2008 Nixon LW, Papaconstantopoulos DA, Mehl MJ. Electronic structure and superconducting properties of lanthanum Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.214510  1
2008 Cohen RE, Stixrude L, Papaconstantopoulos DA. An accurate tight‐binding model for iron at high pressures: Towards high temperature simulations of the Earth’s core High‐Pressure Science and Technology. 309: 891-894. DOI: 10.1063/1.46177  1
2007 Nixon LW, Papaconstantopoulos DA, Mehl MJ. Calculations of the superconducting properties of scandium under high pressure Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.134512  1
2007 Lei S, Papaconstantopoulos DA, Mehl MJ. Calculations of superconducting properties in yttrium and calcium under high pressure Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.024512  1
2007 Spanos G, Geltmacher AB, Lewis AC, Bingert JF, Mehl M, Papaconstantopoulos D, Mishin Y, Gupta A, Matic P. A methodology to aid in the design of naval steels: Linking first principles calculations to mesoscale modeling Materials Science and Engineering A. 452: 558-568. DOI: 10.1016/J.Msea.2006.10.110  1
2006 Gross A, Eichler A, Hafner J, Mehl MJ, Papaconstantopoulos DA. Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O2Pt(111). The Journal of Chemical Physics. 124: 174713. PMID 16689596 DOI: 10.1063/1.2192512  1
2006 Finkenstadt D, Bernstein N, Feldman JL, Mehl MJ, Papaconstantopoulos DA. Vibrational modes and diffusion of self-interstitial atoms in body-centered-cubic transition metals: A tight-binding molecular-dynamics study Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.184118  1
2006 Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Erratum: Tight-binding study of structure and vibrations of amorphous silicon [Phys. Rev. B70, 165201 (2004)] Physical Review B. 73. DOI: 10.1103/Physrevb.73.169905  1
2005 Bernstein N, Gotsis HJ, Papaconstantopoulos DA, Mehl MJ. Tight-binding calculations of the band structure and total energies of the various polytypes of silicon carbide Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.075203  1
2005 Mishin Y, Mehl MJ, Papaconstantopoulos DA. Phase stability in the Fe-Ni system: Investigation by first-principles calculations and atomistic simulations Acta Materialia. 53: 4029-4041. DOI: 10.1016/J.Actamat.2005.05.001  1
2004 Johannes MD, Mazin II, Singh DJ, Papaconstantopoulos DA. Nesting, spin fluctuations, and odd-gap superconductivity in NaxCoO2.yH2O. Physical Review Letters. 93: 097005. PMID 15447132 DOI: 10.1103/Physrevlett.93.097005  1
2004 Johannes MD, Papaconstantopoulos DA, Singh DJ, Mehl MJ. A tight-binding investigation of the NaxCoO2 Fermi surface Europhysics Letters. 68: 433-439. DOI: 10.1209/Epl/I2004-10254-X  1
2004 Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Tight-binding study of structure and vibrations of amorphous silicon [41] Physical Review B - Condensed Matter and Materials Physics. 70: 1-5. DOI: 10.1103/Physrevb.70.165201  1
2004 Haftel MI, Bernstein N, Mehl MJ, Papaconstantopoulos DA. Interlayer surface relaxations and energies of fcc metal surfaces by a tight-binding method Physical Review B - Condensed Matter and Materials Physics. 70: 125419-1-125419-15. DOI: 10.1103/Physrevb.70.125419  1
2004 Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Consequences of zero-point motion to the radial distribution function of amorphous silicon Journal of Physics Condensed Matter. 16: S5165-S5172. DOI: 10.1088/0953-8984/16/44/013  1
2004 Lach-Hab M, Akdim B, Papaconstantopoulos DA, Mehl MJ, Bernstein N. Application of the NRL tight-binding method to the heavy elements Pb and Po Journal of Physics and Chemistry of Solids. 65: 1837-1842. DOI: 10.1016/J.Jpcs.2004.06.020  1
2003 Lekka CE, Mehl MJ, Bernstein N, Papaconstantopoulos DA. Tight-binding simulations of Nb surfaces and surface defects Physical Review B - Condensed Matter and Materials Physics. 68: 354221-354228. DOI: 10.1103/Physrevb.68.035422  1
2003 Papaconstantopoulos DA, Mehl MJ. The Slater-Koster tight-binding method: A computationally efficient and accurate approach Journal of Physics Condensed Matter. 15: R413-R440. DOI: 10.1088/0953-8984/15/10/201  1
2003 Papanicolaou NI, Chamati H, Evangelakis GA, Papaconstantopoulos DA. Second-moment interatomic potential for Al, Ni and Ni-Al alloys, and molecular dynamics application Computational Materials Science. 27: 191-198. DOI: 10.1016/S0927-0256(02)00445-7  0.01
2003 Lekka CE, Bernstein N, Mehl MJ, Papaconstantopoulos DA. Electronic structure of the Cu3Au(1 1 1) surface Applied Surface Science. 219: 158-166. DOI: 10.1016/S0169-4332(03)00592-0  1
2003 Papanicolaou NI, Papaconstantopoulos DA. Interatomic potential for Pd and molecular-dynamics simulation of diffusion in Pd/Pd(1 1 1) system Thin Solid Films. 428: 40-46. DOI: 10.1016/S0040-6090(02)01259-2  0.01
2003 Groß A, Eichler A, Hafner J, Mehl MJ, Papaconstantopoulos DA. Unified picture of the molecular adsorption process: O2/Pt(1 1 1) Surface Science. 539: L542-L548. DOI: 10.1016/S0039-6028(03)00791-X  1
2003 Shi L, Papaconstantopoulos DA, Mehl MJ. Superconductivity in compressed potassium and rubidium Solid State Communications. 127: 13-15. DOI: 10.1016/S0038-1098(03)00388-0  1
2002 Mehl MJ, Papaconstantopoulos DA. Tight-binding study of high-pressure phase transitions in titanium: Alpha to omega and beyond Epl. 60: 248-254. DOI: 10.1209/Epl/I2002-00356-Y  1
2002 Bernstein N, Mehl MJ, Papaconstantopoulos DA. Nonorthogonal tight-binding model for germanium Physical Review B - Condensed Matter and Materials Physics. 66: 752121-7521212. DOI: 10.1103/Physrevb.66.075212  1
2002 Mishin Y, Mehl MJ, Papaconstantopoulos DA. Embedded-atom potential for B2-NiAl Physical Review B - Condensed Matter and Materials Physics. 65: 2241141-22411414. DOI: 10.1103/Physrevb.65.224114  1
2002 Papaconstantopoulos DA, Mehl MJ. First-principles study of superconductivity in high-pressure boron Physical Review B - Condensed Matter and Materials Physics. 65: 1725101-1725103. DOI: 10.1103/Physrevb.65.172510  1
2002 Gotsis HJ, Papaconstantopoulos DA, Mehl MJ. Tight-binding calculations of the band structure and total energies of the various phases of magnesium Physical Review B - Condensed Matter and Materials Physics. 65: 1341011-1341017. DOI: 10.1103/Physrevb.65.134101  1
2002 Mazin II, Papaconstantopoulos DA, Mehl MJ. Superconductivity in compressed iron: Role of spin fluctuations Physical Review B - Condensed Matter and Materials Physics. 65: 1005111-1005114. DOI: 10.1103/Physrevb.65.100511  1
2002 Yang SH, Mehl MJ, Papaconstantopoulos DA, Scott MB. Application of a tight-binding total-energy method for FeAl Journal of Physics Condensed Matter. 14: 1895-1902. DOI: 10.1088/0953-8984/14/8/317  1
2002 Akdim B, Papaconstantopoulos DA, Mehl MJ. Tight-binding description of the electronic structure and total energy of tin Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 82: 47-61. DOI: 10.1080/13642810208211215  1
2002 Lach-hab M, Papaconstantopoulos DA, Mehl MJ. Electronic structure calculations of lead chalcogenides PbS, PbSe, PbTe Journal of Physics and Chemistry of Solids. 63: 833-841. DOI: 10.1016/S0022-3697(01)00237-2  1
2002 Halilov SV, Singh DJ, Papaconstantopoulos DA. Soft modes and superconductivity in the layered hexagonal carbides V2CAs, Nb2CAs, and Nb2CS Physical Review B - Condensed Matter and Materials Physics. 65: 1745191-1745196.  0.92
2001 Farkas D, Mehl MJ, Papaconstantopoulos DA. Lattice trapping of cracks in Fe using an interatomic potential derived from experimental data and ab initio calculations Materials Research Society Symposium - Proceedings. 653: Z6.4.1-Z6.4.6. DOI: 10.1557/Proc-653-Z6.4  1
2001 Mishin Y, Mehl MJ, Papaconstantopoulos DA, Voter AF, Kress JD. Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations Physical Review B - Condensed Matter and Materials Physics. 63: 2241061-22410616. DOI: 10.1103/Physrevb.63.224106  1
2001 Kirchhoff F, Mehl MJ, Papanicolaou NI, Papaconstantopoulos DA, Khan FS. Dynamical properties of Au from tight-binding molecular-dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 63: 1951011-1951017. DOI: 10.1103/Physrevb.63.195101  1
2001 Mehl MJ, Papaconstantopoulos DA, Mazin II, Bacalis NC, Pickett WE. Applications of the NRL tight-binding method to magnetic systems Journal of Applied Physics. 89: 6880-6882. DOI: 10.1063/1.1356031  1
2001 Papaconstantopoulos DA, Lach-Hab M, Mehl MJ. Tight-binding Hamiltonians for realistic electronic structure calculations Physica B: Condensed Matter. 296: 129-137. DOI: 10.1016/S0921-4526(00)00790-0  1
2001 Bacalis NC, Papaconstantopoulos DA, Mehl MJ, Lach-Hab M. Transferable tight-binding parameters for ferromagnetic and paramagnetic iron Physica B: Condensed Matter. 296: 125-128. DOI: 10.1016/S0921-4526(00)00789-4  1
2001 Lekka CE, Papanicolaou NI, Evangelakis GA, Papaconstantopoulos DA. Transferability of Slater-Koster parameters Journal of Physics and Chemistry of Solids. 62: 753-760. DOI: 10.1016/S0022-3697(00)00240-7  0.01
2001 Papaconstantopoulos DA, Mehl MJ. Precise tight-binding description of the band structure of MgB2 Physical Review B - Condensed Matter and Materials Physics. 64: 1725101-1725104.  1
2001 Mehl MJ, Papaconstantopoulos DA, Singh DJ. Effects of C, Cu, and Be substitutions in superconducting MgB2 Physical Review B - Condensed Matter and Materials Physics. 64: 1405091-1405094.  1
2000 Bernstein N, Mehl MJ, Papaconstantopoulos DA, Papanicolaou NI, Bazant MZ, Kaxiras E. Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model Physical Review B - Condensed Matter and Materials Physics. 62: 4477-4487. DOI: 10.1103/Physrevb.62.4477  1
2000 Mehl MJ, Papaconstantopoulos DA, Kioussis N, Herbranson M. Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fee metals Physical Review B - Condensed Matter and Materials Physics. 61: 4894-4897. DOI: 10.1103/Physrevb.61.4894  1
2000 Lach-Hab M, Keegan M, Papaconstantopoulos DA, Mehl MJ. Electronic structure calculations of PbTe Journal of Physics and Chemistry of Solids. 61: 1639-1645. DOI: 10.1016/S0022-3697(00)00045-7  1
2000 Mazin II, Papaconstantopoulos DA, Singh DJ. Tight-binding Hamiltonians for Sr-filled ruthenates: Application to the gap anisotropy and Hall coefficient in Sr2RuO4 Physical Review B - Condensed Matter and Materials Physics. 61: 5223-5228.  0.92
1999 Gross A, Scheffler M, Mehl MJ, Papaconstantopoulos DA. Ab Initio Based Tight-Binding Hamiltonian for the Dissociation of Molecules at Surfaces Physical Review Letters. 82: 1209-1212. DOI: 10.1103/Physrevlett.82.1209  1
1999 Mishin Y, Farkas D, Mehl MJ, Papaconstantopoulos DA. Interatomic potentials for monoatomic metals from experimental data and ab initio calculations Physical Review B - Condensed Matter and Materials Physics. 59: 3393-3407.  1
1999 Mishin Y, Farkas D, Mehl MJ, Papaconstantopoulos DA. Interatomic potentials for Al and Ni from experimental data and ab initio calculations Materials Research Society Symposium - Proceedings. 538: 535-540.  1
1998 Papaconstantopoulos DA, Mehl MJ, Erwin SC, Pederson MR. Tight-binding Hamiltonians for carbon and silicon Materials Research Society Symposium - Proceedings. 491: 221-230. DOI: 10.1557/Proc-491-221  1
1998 Yang SH, Mehl MJ, Papaconstantopoulos DA. Application of a tight-binding total-energy method for Al, Ga, and In Physical Review B - Condensed Matter and Materials Physics. 57: R2013-R2016. DOI: 10.1103/Physrevb.57.R2013  1
1998 Papanicolaou NI, Kallinteris GC, Evangelakis GA, Papaconstantopoulos DA, Mehl MJ. Second-moment interatomic potential for Cu-Au alloys based on total-energy calculations and its application to molecular-dynamics simulations Journal of Physics Condensed Matter. 10: 10979-10990. DOI: 10.1088/0953-8984/10/48/018  1
1998 Papaconstantopoulos DA, Pickett WE. Tight-binding coherent potential approximation study of ferromagnetic La2/3Ba1/3MnO3 Physical Review B - Condensed Matter and Materials Physics. 57: 12751-12756.  1
1997 Papaconstantopoulos DA, Mehl MJ. The tight-binding method for interpolating first-principles total energy results Journal of Phase Equilibria. 18: 593-597. DOI: 10.1007/Bf02665817  1
1996 Mehl MJ, Papaconstantopoulos DA. Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals. Physical Review. B, Condensed Matter. 54: 4519-4530. PMID 9986411 DOI: 10.1103/Physrevb.54.4519  1
1996 Papaconstantopoulos DA, Mehl MJ. Equation of state for PdH by a new tight binding approach Materials Research Society Symposium - Proceedings. 408: 31-35. DOI: 10.1557/Proc-408-31  1
1995 Mehl MJ, Papaconstantopoulos DA. Application of a New Tight-Binding Method for Transition Metals: Manganese Epl. 31: 537-541. DOI: 10.1209/0295-5075/31/9/006  1
1994 Singh DJ, Papaconstantopoulos DA. Magnetic and electronic structure of CoH. Physical Review. B, Condensed Matter. 49: 12801-12804. PMID 10010185 DOI: 10.1103/Physrevb.49.12801  0.92
1994 Cohen RE, Mehl MJ, Papaconstantopoulos DA. Tight-binding total-energy method for transition and noble metals. Physical Review. B, Condensed Matter. 50: 14694-14697. PMID 9975712 DOI: 10.1103/Physrevb.50.14694  1
1993 Mehl MJ, Singh DJ, Papaconstantopoulos DA. Properties of ordered intermetallic alloys: first-principles and approximate methods Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 170: 49-57. DOI: 10.1016/0921-5093(93)90368-O  1
1992 Magaud L, Veuillen JY, Lollman D, Nguyen Tan TA, Papaconstantopoulos DA, Mehl MJ. Electronic structure of ErSi2 and YSi2. Physical Review. B, Condensed Matter. 46: 1299-1304. PMID 10003767  1
1992 Papaconstantopoulos DA, Pickett WE. Ternary nitrides BiNCa3 and PbNCa3: Unusual ionic bonding in the antiperovskite structure. Physical Review. B, Condensed Matter. 45: 4008-4012. PMID 10002012  1
1992 Papaconstantopoulos DA, Singh DJ. Reply to "Comment on 'Total-energy calculations of solid H, Li, Na, K, Rb, and Cs' " Physical Review. B, Condensed Matter. 45: 7507-7508. PMID 10000542 DOI: 10.1103/Physrevb.45.7507  0.92
1991 Singh DJ, Papaconstantopoulos DA, Julien JP, Cyrot-Lackmann F. Electronic structure of Ba(Sn,Sb)O3: Absence of superconductivity. Physical Review. B, Condensed Matter. 44: 9519-9523. PMID 9998936 DOI: 10.1103/Physrevb.44.9519  0.92
1991 Singh DJ, Papaconstantopoulos DA, Krakauer H, Klein BM, Pickett WE. Electronic structure of doped Sr2VO4 Physica C: Superconductivity and Its Applications. 175: 329-334. DOI: 10.1016/0921-4534(91)90605-X  1
1990 Singh D, Cohen RE, Papaconstantopoulos DA. Erratum: "Possiblity of LiPdHx as a new ionic superconductor" Physical Review. B, Condensed Matter. 41: 9540. PMID 10021515 DOI: 10.1103/PHYSREVB.41.9540.3  1
1990 Mehl MJ, Osburn JE, Papaconstantopoulos DA, Klein BM. Erratum: Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations Physical Review. B, Condensed Matter. 42: 5362-5363. PMID 9996110  1
1990 Sigalas M, Bacalis NC, Papaconstantopoulos DA, Mehl MJ, Switendick AC. Total-energy calculations of solid H, Li, Na, K, Rb, and Cs. Physical Review. B, Condensed Matter. 42: 11637-11643. PMID 9995467 DOI: 10.1103/Physrevb.42.11637  1
1990 Singh D, Papaconstantopoulos DA. Equilibrium properties of zinc. Physical Review. B, Condensed Matter. 42: 8885-8889. PMID 9995099 DOI: 10.1103/Physrevb.42.8885  0.48
1990 Mehl MJ, Osburn JE, Papaconstantopoulos DA, Klein BM. Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations. Physical Review. B, Condensed Matter. 41: 10311-10323. PMID 9993438  1
1990 Singh D, Cohen RE, Papaconstantopoulos DA. Possiblity of LiPdHx as a new ionic superconductor. Physical Review. B, Condensed Matter. 41: 861-864. PMID 9992843 DOI: 10.1103/Physrevb.41.861  1
1990 Broughton J, Pederson M, Papaconstantopoulos D, Singh D. GaAs Total Energy Tight Binding Hamiltonians for use in Molecular Dynamics Mrs Proceedings. 193. DOI: 10.1557/Proc-193-219  0.48
1990 Martinage L, Pasturel A, Papaconstantopoulos D, Cyrot-Lackmann F. Electronic structure of transition metal disilicides Physica Scripta. 42: 363-366. DOI: 10.1088/0031-8949/42/3/024  0.48
1990 Cohen RE, Pickett WE, Krakauer H, Papaconstantopoulos DA. High Tc superconductors as ionic metals and the role of phonons in high Tc superconductivity Phase Transitions. 22: 167-183. DOI: 10.1080/01411599008207223  1
1990 Singh D, Pickett WE, Cohen RE, Papaconstantopoulos DA, Krakauer H. Magnetism in layered oxides: Results from spin density functional calculations Physica B: Physics of Condensed Matter. 163: 470-472. DOI: 10.1016/0921-4526(90)90243-N  1
1989 DeWeert MJ, Papaconstantopoulos DA, Pickett WE. Tight-binding Hamiltonians for high-temperature superconductors and applications to coherent-potential-approximation calculations of the electronic properties of La2-xBaxCuO4-y. Physical Review. B, Condensed Matter. 39: 4235-4248. PMID 9948761 DOI: 10.1103/PhysRevB.39.4235  1
1989 Papaconstantopoulos DA, Fry JL, Brener NE. Ferromagnetism in hexagonal-close-packed elements. Physical Review. B, Condensed Matter. 39: 2526-2528. PMID 9948495 DOI: 10.1103/PhysRevB.39.2526  1
1989 Pickett WE, Singh D, Papaconstantopoulos DA, Krakauer H, Cyrot M, Cyrot-Lackmann F. Theoretical studies of Sr2VO4, a charge conjugate analog of La2CuO4 Physica C: Superconductivity and Its Applications. 162: 1433-1434. DOI: 10.1016/0921-4534(89)90758-2  1
1988 Papaconstantopoulos DA, Pickett WE, DeWeert MJ. Calculations of the electronic structure of La2-xBaxCuO4-y by the coherent-potential approximation. Physical Review Letters. 61: 211-214. PMID 10039061 DOI: 10.1103/PhysRevLett.61.211  1
1988 Bacalis NC, Papaconstantopoulos DA, Pickett WE. Systematic calculations of the band structures of the rare-gas crystals neon, argon, krypton, and xenon. Physical Review. B, Condensed Matter. 38: 6218-6226. PMID 9947084 DOI: 10.1103/PhysRevB.38.6218  1
1988 Chubb SR, Papaconstantopoulos DA, Klein BM. First-principles study of L10 Ti-Al and V-Al alloys. Physical Review. B, Condensed Matter. 38: 12120-12124. PMID 9946146 DOI: 10.1103/Physrevb.38.12120  1
1988 Fuster G, Brener NE, Callaway J, Fry JL, Zhao YZ, Papaconstantopoulos DA. Magnetism in bcc and fcc manganese. Physical Review. B, Condensed Matter. 38: 423-432. PMID 9945204 DOI: 10.1103/Physrevb.38.423  1
1988 Fletcher G, Fry JL, Pattnaik PC, Papaconstantopoulos DA, Bacalis NC. Tight-binding study of the electron-phonon interaction in bcc transition metals and alloys. Physical Review. B, Condensed Matter. 37: 4944-4949. PMID 9943666 DOI: 10.1103/Physrevb.37.4944  1
1988 Idzerda YU, Lind DM, Papaconstantopoulos DA, Prinz GA, Jonker BT, Krebs JJ. Stoner excitations in bcc Co (invited) Journal of Applied Physics. 64: 5921-5926. DOI: 10.1063/1.342175  1
1988 Fry JL, Zhao YZ, Pattnaik PC, Moruzzi VL, Papaconstantopoulos DA. Stoner theory of magnetic structure of alternate cubic phases of transition metals Journal of Applied Physics. 63: 4060-4062. DOI: 10.1063/1.340547  1
1988 Klein BM, Pickett WE, Cohen RE, Krakauer H, Papaconstantopoulos DA, Allen PB, Boyer LL. Electronic structure and high critical temperature in oxide superconductors Acs Symposium Series. 26-43.  1
1987 Pickett WE, Krakauer H, Papaconstantopoulos DA, Boyer LL. Evidence of conventional superconductivity in La-Ba-Cu-O compounds. Physical Review. B, Condensed Matter. 35: 7252-7255. PMID 9941016 DOI: 10.1103/Physrevb.35.7252  1
1987 Krakauer H, Picket WE, Papaconstantopoulos DA, Boyer LL. High Temperature Superconductors: Electronic Structure Changes due to Replacement of La with Ba and Sr in the Cu–O-Based Systems Japanese Journal of Applied Physics. 26: 991-992. DOI: 10.7567/Jjaps.26S3.991  1
1987 Papaconstantopoulos DA, Pickett WE, Krakauer H, Boyer LL. Calculations of the Superconducting Properties of Cu–O Based Perovskite-Like Structures Japanese Journal of Applied Physics. 26: 1091-1092. DOI: 10.7567/Jjaps.26S3.1091  1
1987 Pickett WE, Papaconstantopoulos DA. Electronic structure and magnetic effects at the ideal (110) Fe/Ge interface Journal of Applied Physics. 61: 3735-3737. DOI: 10.1063/1.338674  1
1986 Pickett WE, Papaconstantopoulos DA. Electronic structure of the Fe/Ge(110) interface. Physical Review. B, Condensed Matter. 34: 8372-8378. PMID 9939550  1
1985 Papaconstantopoulos DA, Pickett WE, Klein BM, Boyer LL. Electronic properties of transition-metal nitrides: The group-V and group-VI nitrides VN, NbN, TaN, CrN, MoN, and WN. Physical Review. B, Condensed Matter. 31: 752-761. PMID 9935816 DOI: 10.1103/Physrevb.31.752  1
1985 Papaconstantopoulos DA, Pickett WE. Effects of disorder on high-temperature superconductivity in cubic MoN. Physical Review. B, Condensed Matter. 31: 7093-7097. PMID 9935626 DOI: 10.1103/Physrevb.31.7093  1
1985 Fry JL, Fletcher G, Pattnaik PC, Papaconstantopoulos DA. Systematic tight-binding study of the electron-phonon interaction in metals Physica B+C. 135: 473-476. DOI: 10.1016/0378-4363(85)90534-0  1
1984 Johnson WB, Anderson JR, Papaconstantopoulos DA. Fermi surface of iron under pressure Physical Review B. 29: 5337-5348. DOI: 10.1103/Physrevb.29.5337  0.36
1984 Papaconstantopoulos DA, Pickett WE, Klein BM, Boyer LL. Superconductivity: Nitride offers 30K transition? Nature. 308: 494-495. DOI: 10.1038/308494A0  1
1983 Klein BM, Pickett WE, Papaconstantopoulos DA, Boyer LL. Electronic structure, superconductivity, and magnetism in the C 15 compounds ZrV2, ZrFe2, and ZrCo2 Physical Review B. 27: 6721-6731. DOI: 10.1103/Physrevb.27.6721  1
1982 Papaconstantopoulos DA, Klein BM, Boyer LL, Connolly JWD. Band structure and superconductivity in Bi3Sr and Bi3Eu Physical Review B. 26: 4951-4956. DOI: 10.1103/Physrevb.26.4951  1
1981 Anderson JR, Papaconstantopoulos DA, Schirber JE. Influence of pressure on the Fermi surface of niobium Physical Review B. 24: 6790-6794. DOI: 10.1103/Physrevb.24.6790  0.36
1981 Papaconstantopoulos DA, Klein BM. Calculations of the pressure dependence of the superconducting transition temperature of vanadium Physica B+C. 107: 725-726. DOI: 10.1016/0378-4363(81)90665-3  1
1981 Pickett WE, Klein BM, Papaconstantopoulos DA. Theoretical prediction of MoN as a high Tc superconductor Physica B+C. 107: 667-668. DOI: 10.1016/0378-4363(81)90636-7  1
1980 Klein BM, Papaconstantopoulos DA, Boyer LL. Linear-combination-of-atomic-orbitals-coherent-potential-approximation studies of carbon vacancies in the substoichiometric refractory monocarbides NbCx, TaCx, and HfCx Physical Review B. 22: 1946-1966. DOI: 10.1103/Physrevb.22.1946  1
1980 Papaconstantopoulos DA, Gubser DU, Klein BM, Boyer LL. Superconducting transition temperatures in pseudobinary A15 compounds Physical Review B. 21: 1326-1328. DOI: 10.1103/Physrevb.21.1326  1
1980 Papaconstantopoulos DA, Klein BM. SEMI-EMPIRICAL APW CALCULATION OF THE BAND STRUCTURE OF SILICON Solar Energy. 34: 511-513. DOI: 10.1016/0038-1098(80)90139-8  1
1979 Klein BM, Boyer LL, Papaconstantopoulos DA. Superconducting properties of A 15 compounds derived from band-structure results Physical Review Letters. 42: 530-533. DOI: 10.1103/Physrevlett.42.530  1
1979 Anderson JR, Papaconstantopoulos DA, Boyer LL, Schirber JE. Spin-polarized band-structure calculations for Ni Physical Review B. 20: 3172-3185. DOI: 10.1103/Physrevb.20.3172  1
1979 Papaconstantopoulos DA, Economou EN, Klein BM, Boyer LL. Electronic structure and superconductivity in Pd-Ag-H and Pd-Rh-H alloys Physical Review B. 20: 177-183. DOI: 10.1103/Physrevb.20.177  1
1978 Klein BM, Boyer LL, Papaconstantopoulos DA, Mattheiss LF. Self-consistent augmented-plane-wave electronic-structure calculations for the A15 compounds V3X and Nb3X, X=Al,Ga,Si,Ge,andSn Physical Review B. 18: 6411-6438. DOI: 10.1103/Physrevb.18.6411  1
1978 Papaconstantopoulos DA, Klein BM, Faulkner JS, Boyer LL. Coherent-potential-approximation calculations for PdHx Physical Review B. 18: 2784-2791. DOI: 10.1103/Physrevb.18.2784  1
1978 Papaconstantopoulos DA, Klein BM, Economou EN, Boyer LL. Band structure and superconductivity of PdDx and PdHx Physical Review B. 17: 141-150. DOI: 10.1103/Physrevb.17.141  1
1978 Klein BM, Boyer LL, Papaconstantopoulos DA. Self-consistent APW bandstructure of V3Ga Journal of Physics F: Metal Physics. 8: 617-621. DOI: 10.1088/0305-4608/8/4/012  1
1977 Klein BM, Economou EN, Papaconstantopoulos DA. Inverse isotope effect and the x dependence of the superconducting transition temperature in PdHx and PdDx Physical Review Letters. 39: 574-577. DOI: 10.1103/Physrevlett.39.574  1
1977 Papaconstantopoulos DA, Boyer LL, Klein BM, Williams AR, Morruzzi VL, Janak JF. Calculations of the superconducting properties of 32 metals with Z49 Physical Review B. 15: 4221-4226. DOI: 10.1103/Physrevb.15.4221  1
1977 Boyer LL, Papaconstantopoulos DA, Klein BM. Effect of self-consistency and exchange on the electronic structure of the transition metals, V, Nb, and Ta Physical Review B. 15: 3685-3693. DOI: 10.1103/Physrevb.15.3685  1
1977 Papaconstantopoulos DA, Klein BM. Electron-phonon interaction and superconductivity in metallic hydrogen Ferroelectrics. 16: 307-310. DOI: 10.1080/00150197708237185  1
1977 Klein BM, Papaconstantopoulos DA, Boyer LL. Electronic structure, electron-phonon interaction and high-temperature superconductivity in V3Si Ferroelectrics. 16: 299-302. DOI: 10.1080/00150197708237183  1
1976 Klein BM, Papaconstantopoulos DA. On calculating the electron-phonon mass enhancement lambda for compounds Journal of Physics F: Metal Physics. 6: 1135-1143. DOI: 10.1088/0305-4608/6/6/026  1
1976 Klein BM, Boyer LL, Papaconstantopoulos DA. On the relationship between the phonon anomalies and the AB initio calculated Fermi surfaces of TaC and NbC Solid State Communications. 20: 937-940. DOI: 10.1016/0038-1098(76)91310-7  1
1975 Papaconstantopoulos DA, Klein BM. Superconductivity in the Palladium-Hydrogen System Physical Review Letters. 35: 110-113. DOI: 10.1103/Physrevlett.35.110  1
1974 Klein BM, Papaconstantopoulos DA. Electron-phonon interaction and superconductivity in transition metals and transition-metal carbides Physical Review Letters. 32: 1193-1195. DOI: 10.1103/Physrevlett.32.1193  1
1973 McCaffrey JW, Anderson JR, Papaconstantopoulos DA. Electronic Structure of Calcium as a Function of the Lattice Constant Physical Review B. 7: 674-684. DOI: 10.1103/Physrevb.7.674  0.36
1973 Anderson JR, Papaconstantopoulos DA, McCaffrey JW, Schirber JE. Self-consistent band structure of niobium at normal and reduced lattice spacings Physical Review B. 7: 5115-5121. DOI: 10.1103/Physrevb.7.5115  0.36
1973 Papaconstantopoulos DA, McCaffrey JW, Nagel DJ. Component local densities of states for ordered TiNi Journal of Physics F: Metal Physics. 3. DOI: 10.1088/0305-4608/3/1/008  1
1972 Papaconstantopoulos DA, Anderson JR, McCaffrey JW. Self-Consistent Energy Bands In Vanadium At Normal And Reduced Lattice Spacings. Physical Review B. 5: 1214-1221. DOI: 10.1103/Physrevb.5.1214  0.36
1964 Pincherle L, Papaconstantopoulos D. On the momentum eigenfunctions for the periodic problem Proceedings of the Physical Society. 83: 327-328. DOI: 10.1088/0370-1328/83/2/117  0.92
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