List of publications
Complete list at Google Scholar Citations


Under Review

  1. T. B. Rawal, M. Smerieri, J. Pal, S. Hong, M. Alatalo, L. Savio, L. Vattuone, T. S. Rahman and M. Rocca, "Deciphering complex features in STM images of O adatoms on Ag(110)," (Under Review)
  2. N. Nayyar, V. Turkowski and T. S. Rahman, "Tuning plasmon excitations in transition metal doped arrays of nobel metal nanochains," Preprint, arXiv:1409.3472
  3. G. Shafai, S. Hong and T. S. Rahman, "Effects of γ-Al2O3 support on the morphology and electronic structure of Pt Nanoparticles," (Under Review)
  4. D. J. Nash, K. L. Chagoya, A. Felix, F. T. Davila, T. Jiang, D. Le, L. Tetard, T. S. Rahman and R. G. Blair, "Analysis of the Fluorescence of Mechanically Processed Defect-Laden Hexagonal Boron Nitride and the role of Oxygen in Catalyst Deactivation," (Under Review)
  5. W. Keune, S. Hong, M. Y. Hu, J. Zhao, T. S. Toellner, E. E. Alp, W. Sturhahn, T. S. Rahman and B. R. Cuenya, "Influence of interfaces on the phonon density of states of nanoscale metallic multilayers: phonon confinement and localization," (Under Review)

2018

  1. T. B. Rawal, S. R. Acharya, S. Hong, D. Le, Y. Tang, F. F. Tao and T. S. Rahman, "High Catalytic Activity of Pd1/ZnO(10-10) toward Methanol Partial Oxidation: A DFT+KMC Study," ACS Catalysis 8, 5553-5569 (2018)
  2. P. E. Evans, H. K. Jeong, Z. Hooshmand, D. Le, T. B. Rawal, S. Naghibi Alvillar, L. Bartels, T. S. Rahman and P. A. Dowben, "Methoxy Formation Induced Defects on MoS2," The Journal of Physical Chemistry C 122, 10042-10049 (2018)
  3. S. R. Acharya and T. S. Rahman, "Toward multiscale modeling of thin-film growth processes using SLKMC," Journal of Materials Research 33, 709-719 (2018)
  4. K. Kuhnke, V. Turkowski, A. Kabakchiev, T. Lutz, T. S. Rahman and K. Kern, "Pentacene Excitons in Strong Electric Fields," Chemphyschem 19, 277-283 (2018)
  5. C. D. Tempas, T. W. Morris, D. L. Wisman, D. Le, N. U. Din, C. G. Williams, M. Wang, A. V. Polezhaev, T. S. Rahman, K. G. Caulton and S. L. Tait, "Redox-active ligand controlled selectivity of vanadium oxidation on Au(100)," Chemical Science 9, 1674-1685 (2018)
  6. C. S. Merida, D. Le, E. M. Echeverria, A. E. Nguyen, T. B. Rawal, S. Naghibi Alvillar, V. Kandyba, A. Al-Mahboob, Y. Losovyj, K. Katsiev, M. D. Valentin, C.-Y. Huang, M. J. Gomez, I. H. Lu, A. Guan, A. Barinov, T. S. Rahman, P. A. Dowben and L. Bartels, "Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2," The Journal of Physical Chemistry C 122, 267-273 (2018)

2017

  1. V. Turkowski and T. S. Rahman, "Nonadiabatic exchange-correlation kernel for strongly correlated materials," Journal of Physics: Condensed Matter 29, 455601 (2017)
  2. V. Turkowski, N. U. Din and T. S. Rahman, "Time-Dependent Density-Functional Theory and Excitons in Bulk and Two-Dimensional Semiconductors," Computation 5, 39 (2017)
  3. T. B. Rawal, D. Le and T. S. Rahman, "MoS2?supported gold nanoparticle for CO hydrogenation," Journal of Physics: Condensed Matter 29, 415201 (2017)
  4. T. B. Rawal, D. Le and T. S. Rahman, "Effect of Single-Layer MoS2 on the Geometry, Electronic Structure, and Reactivity of Transition Metal Nanoparticles," The Journal of Physical Chemistry C 121, 7282-7293 (2017)
  5. S. Rauschenbach, G. Rinke, R. Gutzler, S. Abb, A. Albarghash, D. Le, T. S. Rahman, M. Durr, L. Harnau and K. Kern, "Two-Dimensional Folding of Polypeptides into Molecular Nanostructures at Surfaces," ACS Nano 11, 2420-2427 (2017)
  6. J. Pal, T. B. Rawal, M. Smerieri, S. Hong, M. Alatalo, L. Savio, L. Vattuone, T. S. Rahman and M. Rocca, "Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)," Physical Review Letters 118, 226101 (2017)
  7. D. Le and T. S. Rahman, "Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface: insights from first principles calculations," Faraday Discuss 204, 83-95 (2017)
  8. T. Komesu, I. Tanabe, D. Le, E. Schwier, Y. Kojima, M. Zheng, K. Taguchi, M. Koji, T. Okuda, H. Iwasawa, K. Shimada, T. S. Rahman and P. Dowben, "Adsorbate doping of MoS2 and WSe2: the Influence of Na and Co," Journal of Physics: Condensed Matter 29, 285501 (2017)
  9. Z. Hooshmand, D. Le and T. S. Rahman, "CO adsorption on Pd(111) at 0.5ML: A first principles study," Surface Science 655, 7-11 (2017)
  10. A. Gupta, T. B. Rawal, C. J. Neal, S. Das, T. S. Rahman and S. Seal, "Molybdenum disulfide for ultra-low detection of free radicals: electrochemical response and molecular modeling," 2D Materials 4, 025077 (2017)
  11. S. R. Acharya, S. I. Shah and T. S. Rahman, "Diffusion of small Cu islands on the Ni(111) surface: A self-learning kinetic Monte Carlo study," Surface Science 662, 42-58 (2017)

2016

  1. I. Tanabe, T. Komesu, D. Le, T. B. Rawal, E. F. Schwier, M. Zheng, Y. Kojima, H. Iwasawa, K. Shimada, T. S. Rahman and P. A. Dowben, "The symmetry-resolved electronic structure of 2H-WSe2(0001)," Journal of Physics: Condensed Matter 28, 345503 (2016)
  2. I. Tanabe, M. Gomez, W. C. Coley, D. Le, E. M. Echeverria, G. Stecklein, V. Kandyba, S. K. Balijepalli, V. Klee, A. E. Nguyen, E. Preciado, I. H. Lu, S. Bobek, D. Barroso, D. Martinez-Ta, A. Barinov, T. S. Rahman, P. A. Dowben, P. A. Crowell and L. Bartels, "Band structure characterization of WS2 grown by chemical vapor deposition," Applied Physics Letters 108, 252103 (2016)
  3. S. I. Shah, G. Nandipati, A. Karim and T. S. Rahman, "Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface," Journal of Physics-Condensed Matter 28, 025001 (2016)
  4. P. Patoka, G. Ulrich, A. E. Nguyen, L. Bartels, P. A. Dowben, V. Turkowski, T. S. Rahman, P. Hermann, B. Kästner, A. Hoehl, G. Ulm and E. Rühl, "Nanoscale plasmonic phenomena in CVD-grown MoS2 monolayer revealed by ultra-broadband synchrotron radiation based nano-FTIR spectroscopy and near-field microscopy," Optics Express 24, 1154-1164 (2016)
  5. D. J. Nash, D. T. Restrepo, N. S. Parra, K. E. Giesler, R. A. Penabade, M. Aminpour, D. Le, Z. Li, O. K. Farha, J. K. Harper, T. S. Rahman and R. G. Blair, "Heterogeneous Metal-Free Hydrogenation over Defect-Laden Hexagonal Boron Nitride," ACS Omega 1, 1343-1354 (2016)
  6. J. Katoch, D. Le, S. Singh, R. Rao, T. S. Rahman and M. Ishigami, "Scattering strength of the scatterer inducing variability in graphene on silicon oxide," Journal of Physics-Condensed Matter 28, 115301 (2016)
  7. S. Acharya, V. Turkowski and T. S. Rahman, "Towards TDDFT for Strongly Correlated Materials," Computation 4, 34 (2016)
  8. L. G. Abdul Halim, Z. Hooshmand, M. R. Parida, S. M. Aly, D. Le, X. Zhang, T. S. Rahman, M. Pelton, Y. Losovyj, P. A. Dowben, O. M. Bakr, O. F. Mohammed and K. Katsiev, "pH-Induced Surface Modification of Atomically Precise Silver Nanoclusters: An Approach for Tunable Optical and Electronic Properties," Inorganic Chemistry 55, 11522-11528 (2016)

2015

  1. E. Ridolfi, D. Le, T. S. Rahman, E. R. Mucciolo and C. H. Lewenkopf, "A tight-binding model for MoS2 monolayers," Journal of Physics: Condensed Matter 27, 365501 (2015)
  2. T. B. Rawal, S. Hong, A. Pulkkinen, M. Alatalo and T. S. Rahman, "Adsorption, diffusion, and vibration of oxygen on Ag(110)," Physical Review B 92, 035444 (2015)
  3. A. Ramirez-Torres, D. Le and T. S. Rahman, "Effect of monolayer supports on the electronic structure of single-layer MoS2," IOP Conference Series: Materials Science and Engineering 76, 012011 (2015)
  4. D. Le, A. Barinov, E. Preciado, M. Isarraraz, I. Tanabe, T. Komesu, C. Troha, L. Bartels, T. S. Rahman and P. A. Dowben, "Spin-Orbit Coupling in the Band Structure of Monolayer WSe2," Journal of Physics: Condensed Matter 27, 182201 (2015)
  5. A. Kabir, V. Turkowski and T. S. Rahman, "A DFT+nonhomogeneous DMFT approach for finite systems," Journal of Physics: Condensed Matter 27, 125601 (2015)
  6. A. Kabir, J. Hu, V. Turkowski, R. Wu, R. Camley and T. S. Rahman, "Effect of structure on the magnetic anisotropy of L10 FePt nanoparticles," Physical Review B 92, 054424 (2015)
  7. S. Hong and T. S. Rahman, "Geometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations," Physical Chemistry Chemical Physics 17, 28177-28185 (2015)
  8. M. Alcantara Ortigoza, M. Aminpour and T. S. Rahman, "Friedel oscillations responsible for stacking fault of adatoms: The case of Mg(0001) and Be(0001)," Physical Review B 91, 115401 (2015)
  9. M. Alcantara Ortigoza, M. Aminpour and T. S. Rahman, "Revisiting the surface properties of Mg(0001) thin films and their effect on the adatom binding energy and self-diffusion," Surface Science 632, 14-19 (2015)

2014

  1. T. Komesu, D. Le, X. Zhang, Q. Ma, E.F. Schwier, Y. Kojima, M. Zheng, H. Iwasawa, K. Shimada, M. Taniguchi, L. Bartels, T.S. Rahman, and P.A. Dowben, "Occupied and unoccupied electronic structure of Na doped MoS2(0001)," Appl. Phys. Lett. 105, 241602 (2014)
  2. L. Kong, A. Enders, T.S. Rahman, and P.A. Dowben, "Molecular adsorption on graphene," J. Phys.: Condens. Matter 26, 443001 (2014)
  3. T. Komesu, D. Le, Q. Mac, E.F. Schwier, Y. Kojima, M. Zheng, H. Iwasawa, K. Shimada, M. Taniguchi, L. Bartels, T.S. Rahman, and P.A. Dowben, "Symmetry Resolved Surface-Derived Electronic Structure of MoS2(0001)," J. Phys.: Condens. Matter 26, 455501 (2014)
  4. M. Alcantara Ortigoza, I.Y. Sklyadneva, R. Heid, E.V. Chulkov, T.S. Rahman, K.P. Bohnen, and P.M. Echenique, "Ab initio lattice dynamics and electron-phonon coupling of Bi(111)," Phys. Rev. B 90, 195438 (2014)
  5. A. Ramirez-Torres, V. Turkowski, and T.S. Rahman, "Time-dependent density-matrix functional theory for trion excitations: Application to monolayer MoS2 and other transition-metal dichalcogenides," Phys. Rev. B 90, 085419 (2014)
  6. M. Alcantara Ortigoza, R. Heid, K.P. Bohnen, and T.S. Rahman, "Anomalously Soft and Stiff Modes of Transition-Metal Nanoparticles," J. Phys. Chem. C 118, 10335 (2014)
  7. E.A. Lewis, D. Le, A.D. Jewell, C.J. Murphy, T.S. Rahman, and E.C.H. Sykes, "Segregation of Fischer-Tropsch reactants on cobalt nanoparticle surfaces," Chem. Commun. 50, 6537 (2014)
  8. S.I. Shah, S. Hong, and T.S. Rahman, "Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH3 on Rutile RuO2(110) at Ambient Pressures," J. Phys. Chem. C 118, 5226-5238 (2014)
  9. T.B. Rawal, V. Turkowski, and T.S. Rahman, "Complementary roles of benzylpiperazine and iodine "vapor" in the strong enhancement of orange photoluminescence from CuI(111) thin film," J. Phys.: Condens. Matter 26, 185005 (2014)
  10. F. Behafarid, J. Matos, S. Hong, L. Zhang, T.S. Rahman, and B. Roldan Cuenya, "Structural and electronic properties of micellar Au nanoparticles: size and ligand effects," ACS Nano 8, 6671 (2014)
  11. Q. Ma, M. Isarraraz, C.S. Wang, E. Preciado, V. Klee, S. Bobek, K. Yamaguchi, E. Li, P.M. Odenthal, A. Nguyen, D. Barroso, D. Sun, G. von Son Palacio, M. Gomez, A. Nguyen, D. Le, G. Pawin, J. Mann, T.F. Heinz, T.S. Rahman, and L. Bartels, "Post-Growth Tuning of the Bandgap of Single-Layer Molybdenum Disulfide Films by Sulfur/Selenium Exchange," ACS Nano 8, 4672 (2014)
  12. J. Mann, Q. Ma, P.M. Odenthal, M. Isarraraz, D. Le, E. Preciado, D. Barroso, K. Yamaguchi, G. von Son Palacio, A. Nguyen, T. Tran, M. Wurch, A. Nguyen, V. Klee, S. Bobek, D. Sun, T.F. Heinz, T.S. Rahman, R. Kawakami, and L. Bartels, "2-Dimensional Transition Metal Dichalcogenides with Tunable Direct Band Gaps: MoSi2(1-x)Se2x Monolayers," Adv. Mater. 26, 1399 (2014)
  13. D. Le, T.B. Rawal, and T.S. Rahman, "Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application," J. Phys. Chem. C 118, 5346 (2014)
  14. V. Turkowski and T.S. Rahman, "Nonadiabatic time-dependent spin-density functional theory for strongly correlated systems," J. Phys.: Condens. Matter 26, 022201 (2014)

2013

  1. S.A. Tenney, S.I. Shah, H. Yan, B.A. Cagg, M.S. Levine, T.S. Rahman, and D.A. Chen, "Methanol Reaction on Pt-Au Clusters on TiO2(110): Methoxy-Induced Diffusion of Pt," J. Phys. Chem. C 117, 26998 (2013)
  2. G. Nandipati, A. Kara, S. I. Shah, and T. S. Rahman, "Kinetically driven shape changes in early stages of two-dimensional island coarsening: Ag/Ag(111)," Phys. Rev. B 88, 115402 (2013)
  3. S. I. Shah, G. Nandipati, A. Kara, and T. S. Rahman, "Self-diffusion of small Ni clusters on the Ni(111) surface: A self-learning kinetic Monte Carlo study," Phys. Rev. B 88, 035414 (2013)
  4. D. Le and T. S. Rahman, "Joined edges in MoS2: metallic and half-metallic wires," J. Phys.: Condens. Matter 25, 312201 (2013)
  5. Q. Ma, P. M. Odenthal, J. Mann, D. Le, C. S. Wang, Y. Zhu, T. Chen, D. Sun, K. Yamaguchi, T. Tran, M. Wurch, J. L. McKinley, J. Wyrick, K. Magnone, T. F. Heinz, T. S. Rahman, R. Kawakami, L. Bartels, "Controlled argon beam-induced desulfurization of monolayer molybdenum disulfide," J. Phys.: Condens. Matter 24, 252201 (2013)
  6. S. Hong, D. Le, and T.S. Rahman, "Deactivation of Cu2O(100) by CO Poisoning," Top. Catal. (2013) In press
  7. E.A. Lewis, D. Le, A.D. Jewell, C.J. Murphy, T.S. Rahman, and E.C.H. Sykes, "Visualization of Compression and Spillover in a Coadsorbed System: Syngas on Cobalt Nanoparticles," ACS Nano 7, 4384 (2013)
  8. S. Hong and TS. Rahman, "Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au13/TiO2(110)," J. Am. Chem. Soc. 135, 7629 (2013)
  9. D. Le, D. Sun, W. Lu, M. Aminpour, C. Wang, Q. Ma, T. S. Rahman, L. Bartels, "Growth of aligned Mo6S6 nanowires on Cu(111)," Surf. Sci. 611, 1 (2013)

2012

  1. F. Behafarid, L. K. Ono, S. Mostafa, J. R. Croy, G. Shafai, S. Hong, T. S. Rahman, S. R. Bare, and B. R. Cuenya, "Electronic properties and charge transfer phenomena in Pt nanoparticles on gamma-Al2O3: size, shape, support, and adsorbate effects," PCCP 14, 11766 (2012).
  2. P. Hyldgaard and T. S. Rahman, "Van der Waals interactions in advanced materials, in memory of David C Langreth," J. Phys.: Condens. Matter 24, 420201 (2012).
  3. E. A. Lewis, D. Le, C. J. Murphy, A. D. Jewell, M. F. G. Mattera, M. L. Liriano, T. S. Rahman, and E. C. H. Sykes, "Dissociative Hydrogen Adsorption on Close-Packed Cobalt Nanoparticle Surfaces," J. Phys. Chem. C 116, 25868-25873 (2012).
  4. N. Nayyar, V. Turkowski, and T. S. Rahman, "Optical Generation of Collective Plasmon Modes in Small Gold Chains Induced by Doping Transition-Metal Impurities," Phys. Rev. Lett. 109, 157404 (2012).
  5. D. Sun, W. Lu, D. Le, Q. Ma, M. Aminpour, M. Alcantara Ortigoza, S. Bobek, J. Mann, J. Wyrick, T.S. Rahman, and L. Bartels, "An MoS(x) Structure with High Affinity for Adsorbate Interaction," Angew. Chem. Int. Ed. 51, 10284 (2012)
  6. D. Le, M. Aminpour, A. Kiejna, and T. S. Rahman, "The role of van der Waals interaction in the tilted binding of amine molecules to the Au(111) surface," J. Phys.: Condens. Matter 24, 222001 (2012)
  7. V. Turkowski, S. Babu, D. Le, M. K. Haldar, A. Wagh, Z. Hu, A. S. Karakoti, A. J. Gesquiere, B. Law, S. Mallik, T. S. Rahman, M. N. Leuenberger, and S. Seal, "Linker-induced anomalous emission of organic molecule-conjugated metal oxide nanoparticles," ACS Nano 6, 4854 (2012)
  8. G. Nandipati, A. Kara, S. I. Shah, T. S. Rahman, "Off-lattice pattern recognition scheme for kinetic Monte Carlo simulations," J. Comp. Phys. 231, 3548 (2012)
  9. H. Yildirim, A. Kara, and T. S. Rahman, "Tailoring the Electronic Structure by Alloying: the AgnCu34-n Nanoparticle Family," J. Phys. Chem. C 116, 281 (2012)
  10. G. Shafai, M. Alcántara Ortigoza, and T. S. Rahman, "Vibrations of Au13 and FeAu12 nanoparticles and the limits of the Debye temperature concept," J. Phys.: Condens. Matter 24, 104026 (2012)
  11. D. Le, D. Sun, W. Lu, L. Bartels, and T. S. Rahman, "Single layer MoS2 on the Cu(111) surfaces: First-principles electronic structure calculations," Phys. Rev. B 85, 075429 (2012)
  12. V. Turkowski, A. Kabir, N. Nayyar, and T. S. Rahman, "Dynamical Mean-Field Theory for Molecules and Nanostructures," J. Chem. Phys. 136, 114108 (2012)
  13. S. Kahle, Z. Deng,N. Malinowski, C. Tonnoir,A. Forment Aliaga,N. Thontasen, G. Rinke, D. Le, V. Turkowski,T. S. Rahman, S. Rauschenbach,M. Ternes, and K. Kern, "Addressing the Quantum Magnetism of Individual Manganese-12-Acetate Molecular Magnets Anchored at Surfaces," NanoLett. 12, 518 (2012)

2011

  1. S. Hong, G. Shafai, M. Bertino, and T. S. Rahman, "Toward an Understanding of Ligand Selectivity in Nanocluster Synthesis" J. Phy. Chem. C 115, 14478 (2011).
  2. O.S. Trushin, M. Aminpour, T.S. Rahman, "Effect of misfit dislocation on surface diffusion," Phys. Rev. B 84, 035455 (2011).
  3. M. Alcántara-Ortigoza, T. S. Rahman, R. Heid, and K. P. Bohnen, "Nature of the binding of a c(2x2)-CO overlayer on Ag(001) and surface mediated intermolecular coupling,"J. Phys. Chem. A 115, 7291 (2011).
  4. T. S. Rahman, "Vibrations at Surfaces," J. Phys.: Condens. Matter 23 (2011) 480301.
  5. B. Roldan Cuenya, M. Alcantara Ortigoza, L. K. Ono, F. Behafarid, S. Mostafa, J. R. Croy, K. Paredis, G. Shafai, T. S. Rahman, L. Li, Z. Zhang, and J. C. Yang, "Thermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects," Phys. Rev B 84, 005400 (2011).
  6. A. Karim, A. Kara, O. Trushin, and T. S. Rahman, "The crossover from collective motion to periphery diffusion for 2D adatom-islands on Cu(111)," J. Phys. Condens. Matt. (Fast Track ) 23, 462201 (2011) (also selected for inclusion in IOP Select http://Select.iop.org).
  7. S. A. Tenney, W. He, C. C. Roberts, J. S. Ratliff, S. I. Shah, G. S. Shafai, V. Turkowski, T. S. Rahman and D. A. Chen "CO-induced Diffusion of Ni Atoms to the Surface of Ni-Au Clusters on TiO2(110)," J. Phys. Chem, C 115, 11112 (2011).
  8. G. Nandipati, A. Kara, S. Islamuddin Shah, and T. S. Rahman, "Island Size Selectivity during 2D Coarsening of Ag islands on Ag (111) Surface, "J. Phys. Condens. Matt.( Fast Track) 23, 262001 (2011).
  9. R. I. Gonzalez, G. Garcia, R. Ramirez, M. Kiwi, J. A. Valdivia, T. S. Rahman, "Iron-gold nanoclusters: properties and characteristics from molecular dynamics simulations," Phys. Rev. B 83, 155425 (2011).
  10. D. Kim, D. Sun, W. Lu, Z. Cheng, Y. Zhu, D. Le, T. S. Rahman, and L. Bartels "Toward the Growth of an Aligned Single-Layer MoS2 Film," Langmuir 27, 11650 (2011).
  11. S. Hong, M. Alcntra Ortigoza, T. S. Rahman, E. Z. Ciftlikli, and B. J. Hinch, "Stress balance in nanopatterned N/Cu(001) surfaces," Phys. Rev. B 84, 165413 (2011).

2010

  1. S. Hong, A. Karim, T. S. Rahman, K. Jacobi, G. Ertl, "Selective Oxidation of Ammonia on RuO2(110): a combined DFT and KMC study," J. Catalysis 276, 371 (2010).
  2. M. Alcántara-Ortigoza, T. S. Rahman, R. Heid, and K. P. Bohnen, "Ab initio calculations of the dispersion of surface phonons of a c(2x2) CO overlayer on Ag(001), J. Phys. Condens. Matter 22 395001 (2010).
  3. V. Turkowski, C.A. Ullrich, T.S. Rahman, and M.N. Leuenberger, "Time-dependent density-matrix functional theory for biexcitonic phenomena," Phys. Rev. B 82, 205208 (2010).
  4. V. Turkowski, A. Kabir, N. Nayyar, and T.S. Rahman, "DFT+DMFT approach for Nanosystems," J. Phys. Condens. Matt (Fast Track) 22, 462202 (2010).
  5. D. Sun, D-H. Kim, D. Le, . Borck, K. Berland, K. Kim, W. Lu, Y. Zhu, M. Luo, J. Wyrick, Z. Cheng, T. L. Einstein, T. S. Rahman, P. Hyldgaard, and L. Bartels, "Effective elastic properties of a van der Waals molecular monolayer at a metal surface," Phys. Rev. B 82, 201410 (2010).
  6. S. Sikandar Hayat, M. Alcántara-Ortigoza and T. S. Rahman, "Diffusion of Cu monomer and dimer on Ag(111): results of ab intio calculations and Molecular Dynamics Method," Phys. Rev. B 82, 085405 (2010).
  7. H. Yildirim, A. Kara, T. S. Rahman, R. Heid, and K.P. Bohnen, "Surface vibrational thermodynamics from ab initio calculations for fcc(100)," Surf. Sci. 604, 308 (2010).
  8. E.Z. Ciftlikli, L.V. Goncharova, B.J. Hinch, M. Alcntra Ortigoza, S. Hong, and T.S. Rahman, "Vibrational Dynamics of a c(2x2) phase Induced by nitrogen adsorption on Cu(001)," Phys. Rev. B 81, 115465 (2010).
Department of Physics, University of Central Florida
4111 Libra Drive - Physical Sciences Bldg. 430 - Orlando, FL 32816-2385
Phone: 407-823-1480 Fax: 407-823-5112 Email: Talat.Rahman [ at ] ucf.edu