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Publications

  1. Linear and nonlinear optical properties of RbTiOPO4–KTiOPO4 alloys studied from first principles, Marzieh Ghoohestani, S. Javad Hashemifar, Ali Arab, Journal of Applied Physics 128, pages 125707, Sep. 2020
  2. A combined experimental and theoretical optimization of the refractive index of NixMg1-xO solid solution for transparent nanocomposite applications, Fatemeh Ashrafi, Hossein Mokhtari, S. Javad Hashemifar, Amir Alhaji, Ceramics International 46, pages 20061-20067, Aug. 2020
  3. Calculation of the structural and electronic properties of III-V semiconductor compounds using advanced functionals of density functional theory (in persian), AM Nikoo, H Sadeghi, A Arab, S. Javad Hashemifar, Iranian Journal of Physics Research 20, pages 39-48, Jun. 2020
  4. Ab initio analysis of structural and electronic properties and excitonic optical responses of eight Ge-based 2D materials, Ali Ghojavand, S. Javad Hashemifar, Mahdi Tarighi Ahmadpour, Alexander V. Shapeev, Amir Alhaji, and Qaem Hassanzada, Journal of Applied Physics 127, pages 214301 (8 pages), Jun. 2020
  5. Effects of strain on electronic and magnetic properties of WS2 nanolayer: A density functional and Monte Carlo study, Hamideh Kahnouji, S. Javad Hashemifar, Nafiseh Rezaei, Mojtaba Alaei, Physical Review B 100, pages 085423, Aug. 2019
  6. Synthesis and optimization of the composite pellets of SrS: Ce, Sm nano-phosphor as a sensor for the space radiation dosimeter (in persian), Mohsen Yazdanmehr, Hossein Sadeghi, Masoud Kavosh Tehrani, S. Javad Hashemifar, Iranian Journal of Physics Research 18, pages 525-537, Mar. 2019
  7. Ab initio investigation of magnetic ordering in the double perovskite Sr2NiWO6, Nafiseh Rezaei, Tayebehsadat Hashemifar, Mojtaba Alaei, Farhad Shahbazi, S. Javad Hashemifar, Hadi Akbarzadeh, Physical Review B 99, pages 104411, Mar. 2019
  8. Ab initio simulation of the structure and transport properties of zirconium and ferromagnetic cobalt contacts on the two-dimensional semiconductor WS2, Hamideh Kahnouji, Peter Kratzer, S. Javad Hashemifar, Physical Review B 99, pages 035418 (9 pages), Jan. 2019
  9. Density functional and Monte Carlo investigation of FeNi/MoS2 junction, Amir Asgari, S. Javad Hashemifar, Nafiseh Rezaei, Hojjat Gholizadeh, Physical Review B 98, pages 125423 (7 pages), Sep. 2018
  10. First-principles study of MoS2 and MoSe2 nanoclusters in the framework of evolutionary algorithm and density functional theory, Zohreh Hashemi, Shohreh Rafiezadeh, Roohollah Hafizi, S.  Javad Hashemifar, Hadi Akbarzadeh, Chemical Physics Letters 698, pages 41-50, Apr. 2018
  11. Optical properties of body-centered tetragonal C4: Insights from many-body perturbation and time-dependent density functional theories, Mahdi Tarighi Ahmadpour,  Ali Rostamnejadi and S. Javad Hashemifar, Journal of Applied Physics 123, pages 165107 (7 pages), Apr. 2018
  12. First-principles insights into ultrashort laser spectroscopy of molecular nitrogen, Mohammad Reza Jangrouei, S. Javad Hashemifar, Journal of Electron Spectroscopy and Related Phenomena 225, pages 36–41, Mar. 2018
  13. Effects of nanostructuring on luminescence properties of SrS:Ce,Sm phosphor: An experimental and phenomenological study, Mohsen Yazdanmehr, Hossein Sadegh, Masoud Kavosh Tehrani, S. Javad Hashemifar, Mohammad Mahdavi, Optical Materials 75, pages 304-313, Jan. 2018
  14. Ab-initio investigation of Rb substitution in KTP single crystal, Marzieh Ghoohestani, Ali Arab, S. Javad Hashemifar, and Hossein Sadeghi, Journal of Applied Physics 123, pages 015702, Jan. 2018
  15. First-principles insights into role of hydrogen atom in black titania, S. Samaneh Ataei, S. Javad Hashemifar, Mohammad Reza Mohammadizadeh, Computational Materials Science 139, pages 84–88, Nov. 2017
  16. Calculated structural and electronic interactions of the nano dye molecule Ru(4, 4′ – COOH – 2, 2′ – bpy)2(NCS)2(N3) with a iodide/triiodide redox shuttle, E. Shomali, I. Abdolhosseini Sarsari, S. Javad Hashemifar, M. Alaei, Current Applied Physics 17, pages 1029-1037,  Aug. 2017
  17. Stable isomers and electronic, vibrational, and optical properties of WS2 nanoclusters: A first-principles study, Roohollah Hafizi, S. Javad Hashemifar, Mojtaba Alaei, MohammadReza Jangrouei, and Hadi Akbarzadeh, The journal of chemical physics 145, pages 214303, Dec. 2016
  18. Size effects on the structural, electronic, and optical properties of (5,0) finite-length carbon nanotube: An ab-initio electronic structure study, Mahdi Tarighi Ahmadpour, S. Javad Hashemifar, and Ali Rostamnejadi, Journal of Applied Physics 120, pages 014303, Jul. 2016
  19. Density functional study of CaN monolayer on Si(001), Maryam Saati asr, Maedeh Zahedifar, S. Javad Hashemifar, Hadi Akbarzadeh, , Journal of Magnetism and Magnetic Materials 397, pages 260–265, Jan. 2016
  20. First-principles calculation of semiclassical thermoelectric properties of (AgSbSe2)n(AgSbTe2)n superlattices, Marzieh Salimi, S. Javad Hashemifar, Journal of Alloys and Compounds 650, pages 143-148, Nov. 2015
  21. First-principles insights into f magnetism, a case study on some magnetic pyrochlores, Najmeh Deylinazar, Elham Khorasani, Mojtaba Alaei, S. Javad Hashemifar, Journal of Magnetism and Magnetic Materials 393, pages 127–131, Nov. 2015
  22. Density-functional study of the pure and palladium doped small copper and silver clusters, Hamideh Kahnouji, Halimeh Najafvandzadeh, S. Javad Hashemifar, Mojtaba Alaei, Hadi Akbarzadeh, Chemical Physics Letters (in print), 2015
  23. Ab initio study of the structural, magnetic, and electronic properties of copper and silver clusters and their alloys with one palladium atom (in persian), Halimeh Najafvandzadeh, Hamideh Kahnouji , S. Javad Hashemifar, Hadi Akbarzadeh, Iranian Journal of Physics Research 14, pages 249-260, Apr. 2015
  24. Density functional investigation of spin polarization in bulk and thin films of nitrogen intercalated Cu3N, S. Mojtaba Rezaei Sani, Masoud Karimipour, Marzieh Ghoohestani, S. Javad Hashemifar, Computational Materials Science 96, pages 39–43, Jan. 2015
  25. Twin boundary energy and characterization of charge redistribution near the twin boundaries of cupperate superconductors, Mahnaz Mohammadi, Bahram Khoshnevisan, S. Javad Hashemifar, Physica C: Superconductivity and its Applications 507, pages 41–46, Dec. 2014
  26. Thermoelectric properties of AgSbTe2 from first-principles calculations, Nafiseh Rezaei, S. Javad Hashemifar, Hadi Akbarzadeh, Journal of Applied Physics 116, pages 103705, Sep. 2014
  27. D0 magnetism in Ca doped narrow carbon nanotubes: First principle chirality effect study, F. Hajiheidari, B. Khoshnevisan,  S. Javad Hashemifar, Journal of Applied Physics 115, pages 234302, Jun. 2014
  28. First-principles insights into interaction of Au with small Co clusters, Mahdieh Aghajani, S. Javad Hashemifar, Hadi Akbarzadeh, Physica E: Low-dimensional Systems and Nanostructures 62, pages 64-70, May. 2014
  29. First-principles insights into interaction of CO, NO and HCN with Ag8, Zahra Torbatian, S. Javad Hashemifar, Hadi Akbarzadeh, The Journal of Chemical Physics 140, 084314 (7 pages), Feb. 2014
  30. Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO2 surface, M. Sotoudeh, S. Javad Hashemifar, M. Abbasnejad, and M. R. Mohammadizadeh, AIP Advances 4, pages 027129 (13 pages), Feb. 2014
  31. Density functional study of CaN mono and bilayer on Cu(001), Maedeh Zahedifar, S. Javad Hashemifar, Hadi Akbarzadeh, AIP Advances 4 (1), 017101 (7 pages), Jan. 2014
  32. Ab initio study of different structures of CaC: Magnetism, bonding, and lattice dynamics, Zahra Nourbakhsh, S. Javad Hashemifar, Hadi Akbarzadeh, Journal of Alloys and Compounds 579, pages 360–364, Dec. 2013
  33. Nano structures of amorphous silicon: localization and energy gap (in persian), Zahra Nourbakhsh, M. Lusk, S. Javad Hashemifar, Hadi Akbarzadeh, Iranian Journal of Physics Research 13 (3), pages 283-287, Nov. 2013
  34. First-principles study of H2 adsorption on the pristine and oxidized (8,0) carbon nanotube, Zahra Karami Horastani, S. Javad Hashemifar, S. Masoud Sayedi, M. Hossein Sheikhi, International Journal of Hydrogen Energy 38, pages 13680–13686, Oct. 2013
  35. Novel description of bonding and magnetism in 3d transition metal arsenides, Shekoufeh Khosravizadeh, S. Javad Hashemifar, Hadi Akbarzadeh, Journal of Applied Physics 114 (11), 113906 (6 pages), Sep. 2013
  36. First-principles insights into p magnetism in CaC and CaN ionic compounds, Zahra Nourbakhsh, S. Javad Hashemifar, Hadi Akbarzadeh, Journal of Magnetism and Magnetic Materials 341, pages 56–59, Apr. 2013
  37. First-principles prediction of half-metallicity at the low index surfaces of rocksalt KS, M. Moradi, M. Afshari, S. Javad Hashemifar, Surface Science 616, pages 71–75, May 2013
  38. The Effect of Oxygen Molecule Adsorption on Structural and Electrical Properties of (8, 0) Carbon Nanotube: A Density Functional Study, Zahra Karami Horastani, S. Javad Hashemifar, S. Masoud Sayedi, M. Hossein Sheikhi, Reza Alaei, Key Engineering Materials 543, pages 447-450, Mar. 2013
  39. First-Principles study of Hall coefficient in some cubic metals using Maximally localized Wannier functions (in persian), Z. Torbatian, S.J. Hashemifar, H. Akbarzadeh, H.S. Jebeli, Iranian Journal of Physics Research 12 (3), pages 213-219, Nov. 2012
  40. First-principles study of ring to cage structural crossover in small ZnO Clusters, I. Abdolhosseini Sarsari  , S.J. Hashemifar, H. Salamati, Journal of Physics: Condensed Matter 24, 505502, Nov. 2012
  41. Topological description of mechanical behavior of Cu, Ag and Au: A first-principle study (in persian), M. Saghayezhian, S.J. Hashemifar, H. Akbarzadeh, J. Zarbakhsh, Iranian Journal of Physics Research 11 (3), pages 245-257, Nov. 2011
  42. Topological description of the half-metallic transition of MnAs (in persian), S. Khosravizadeh, S.J. Hashemifar, H. Akbarzadeh, Iranian Journal of Physics Research 11 (2), pages 219-226, Aug. 2011
  43. Density functional study of narrow cubic MnSe nanowires: Role of MnSe chains, P. Amiri, S.J. Hashemifar, H. Akbarzadeh, Physical Review B 83, pages 165424, Apr. 2011
  44. Stable structure and magnetic state of ultrathin CrAs films on GaAs(001): A density functional theory study, S.J. Hashemifar, P. Kratzer, M. Scheffler, Physical Review B 82, pages 214417 (9 pages), Dec. 2010
  45. Electric field gradient and magnetic hyperfine field in the bulk and surfaces of a-MnAs compound, M. Jamal, S.J. Hashemifar, H. Akbarzadeh, Journal of Magnetism and Magnetic Materials 322, pages 3841–3850, Aug. 2010
  46. Robust half-metallicity at the zincblende CrTe(0 0 1) surfaces and its interface with ZnTe(0 0 1), F. Ahmadian, M.R. Abolhassani, S.J. Hashemifar, M. Elahi, Journal of Magnetism and Magnetic Materials 322, pages 1004-1014, Apr. 2010
  47. First-principles study of the Co2FeSi(001) surface and Co2FeSi/GaAs(001) interface, Sh. Khosravizadeh, S.J. Hashemifar, H. Akbarzadeh, Physical Review B 79, 235203, Jun. 2009
  48. Structural properties of narrow hexagonal MnAs nanowires: Role of edge atoms, A. Kazempour, S.J. Hashemifar, H. Akbarzadeh, Physical Review B 79, 195420, May 2009
  49. Structural properties of III-nitride binary compounds: a comprehensive study, R. Ahmed, Fazal-e-Aleem, H. Rashid, H. Akbarzadeh, S.J. Hashemifar, Modern Physics Letter B 23, pages 1111-1127, Mar. 2009
  50. Half-metallicity at the Heusler alloy Co2Cr0.5Fe0.5Al(001) surface and its interface with GaAs(001), S. Zarei, S.J. Hashemifar, H. Akbarzadeh, Z. Hafari, Journal of Physics: Condensed Matter 21, 055002 (7 pages), Feb. 2009
  51. First principles study of bulk CrSe and CrSe/ZnSe(001) interface, E. Hazrati, S.J. Hashemifar, H. Akbarzadeh, Journal of Applied Physics 104 (11), 113719 (6 pages), Dec. 2008
  52. First-principles study of the structural and electronic properties of III-phosphides, R. Ahmed, Fazal-e-Aleem, S.J. Hashemifar, H. Akbarzadeh, Physica B: Condensed Matter 403, 1876-1881, May 2008
  53. Spin and orbital magnetism in ordered Fe3±dSi1-/+d binary Heusler structures: Theory versus experiment, K. Zakeri, S.J. Hashemifar, J. Lindner, I. Barsukov, R. Meckenstock, P. Kratzer, Z. Frait, M. Farle, Physical Review B 77, 104430 (5 pages), Mar. 2008
  54. First-principles study of structural and electronic properties of different phases of boron nitride, R. Ahmed, Fazal-e-Aleem, S.J. Hashemifar, H. Akbarzadeh, Physica B: Condensed Matter 400, 297-306, Nov. 2007
  55. First-Principle Study of Co2MnSi/GaAs(001) Heterostructures, N. Ghaderi, S.J. Hashemifar, H. Akbarzadeh, M. Peressi, Journal of Applied Physics 102, 074306, Oct. 2007
  56. Ab-initio study of the structural, magnetic and electric properties of NixCr1-x x={0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875} (in persian), R. Golsorkhtabar , S.J. Hashemifar , H. Akbarzadeh Akbarzadeh, Iranian Journal of Physics Research 7 (1), pages. 61-72, May 2007
  57. Ab-initio study of structural and electronic properties of III-arsenide binary compounds, R. Ahmed, S.J. Hashemifar, H. Akbarzadeh, M. Ahmed, Fazal-e-Aleem, Computational Materials Science 39, 580-586, May 2007
  58. Transition metal silicides as materials for magnet-semiconductor heterostructures, P. Kratzer, S.J. Hashemifar, H. Wu, M. Hortamani, M. Scheffler, Journal of Applied Physics 101, 081725 (5 pages), Apr. 2007
  59. The barrier effect of a WxTa(1-x) nanolayer on formation of single-texture CoSi2 on Si(100), O Akhavan, A.Z. Moshfegh, S.J. Hashemifar, R. Azimirad, Semicond. Sci. Technol. 21, 1181-1192, Aug. 2006
  60. Density functional study of Zn1-xMgxSeyTe1-y Quaternary alloys, F. El Haj Hassan, S.J. Hashemifar, H. Akbarzadeh, Physical Review B 73, 195202, May 2006
  61. FP-LAPW investigations of Zn1--xBexS, Zn1-xBexSe and Zn1-xBexTe ternary alloys, H. Baaziz, Z. Charifi, F. El Haj Hassan, S.J. Hashemifar, H. Akbarzadeh, Physica Status Sollidi (b) 243, 1296-1305, May 2006
  62. Density functional theory study of the structural, electronic, and magnetic properties of dilute Cr-X alloys (X=Fe, Ru-Sb, Ta), S.J. Hashemifar, N. Ghaderi, S. Sirousi, H. Akbarzadeh, Physical Review B 73, 165111, Apr. 2006
  63. Structural and electronic properties of the wide-gap Zn1-xMgxS, Zn1-xMgxSe and Zn1-xMgxTe ternary alloys, Z. Charifi, F. El Haj Hassan, H. Baaziz, Sh. Khosravizadeh, S.J. Hashemifar, H. Akbarzadeh, Journal of Physics: Condensed Matter 17, 7077-7088, Nov. 2005
  64. Hyperfine field on Fe, Rh, Cd and Sn nucleus probes in chromium host (in persian), S. Sirousi , N. Ghaderi , S. J. Hashemifar , H. Akbarzadeh, Iranian Journal of Physics Research 5 (1), pages  29-39, May 2005
  65. Preserving the half-metallicity at the Heusler alloy Co2MnSi(001) surface – a density functional theory study, S.J. Hashemifar, P. Kratzer, M. Scheffler, Physical Review Letters 94, 096402, Mar. 2005
  66. Structural and electronic properties of matolkite MFX (M=Sr,Ba,Pb; X=Cl,Br,I) compounds, F. El Haj Hassan, H. Akbarzadeh, S.J. Hashemifar, A. Mokhtari, Journal of Physics and Chemistry of Solids 65, 1871, Nov. 2004
  67. Single-crystalline growth of CoSi2 by refractory-interlayer-mediated epitaxy, O. Akhavan, A.Z. Moshfegh, S.J. Hashemifar, R. Azimirad, Applied Surface Science 233, 123, Jun. 2004
  68. Theoretical study of structural and electronic properties of CaFI, F. El Haj Hassan, H. Akbarzadeh, S.J. Hashemifar, Journal of Physics: Condensed Matter 16, 3329, May 2004
  69. The growth of CoSi2 thin films in Co/W/Si(100) multilayer structures, A.Z. Moshfegh, S.J. Hashemifar, O. Akhavan, Solid State Communications 128, 239, Nov. 2003
  70. Study of cobalt silicides formation in Co/Ta-W/Si(100) multilayer systems, A  .Z. Moshfegh, S.J. Hashemifar, O. Akhavan, R. Azimirad, Thin Solid films 433, 298, Jun. 2003