• Personal Homepage

Google scholar

Full name: Mahdi Afshar

Position: Assistant Professor

Phone: 98-21-77451500-10     Ex: 6479

Fax: 98-21-77240497

Email: afshar.arjmand AT gmail.com

Address: Iran University of Science & Technology, Tehran, Iran

University Degrees:

• Post Doctoral Fellow: Matterials Department, University of California at Santa Barbara, USA.

• Ph.D: Dresden University of Technology, Germany

• MSc. : Institute for Advanced Studies in Basic Sciences, Zanjan, Iran.

Current Research:

• (Relativistic) density functional theory of the electronic structure of atoms, metals, and compounds

• Spin and orbital magnetism in solids and alloys

• Magnetic anisotropy energy of magnetic alloys

• Semiconductors doped with magnetic impurities

• Half-metallicity in various compounds

• Intrinsic Josephson junctions in high-Tc superconductors

• Electronic structures of nano-wires

• Magnetoelectric effect in domain walls

• Electronic structures of Carbon nano-tube and graphene

  Publications:

  Books:

  M. Sargolzaei,
  "Orbital Polarization in Relativisitc Density Functional Theory'', Lambert Academic Publishing, (2010)

  Google Scholar Link:

http://scholar.google.com/citations?user=qPb0NnUAAAAJ&hl=en&oi=ao

Journal Papers:
 

1. Electronic structures and magnetic properties of 3d magnetic atoms adsorbed on olympicene molecule: A density functional theory study

2. Molecular dynamics simulation study of binding affinity of thieno [2, 3-b] benzo [1, 8] naphthyridine derivatives to DNA

3. Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the Paal-Knorr Pyrrole Synthesis

4. Spin and orbital magnetism in XMg8 (X= Sc-Ni): a relativistic density functional theory study

5. Electronic and magnetic properties of single 3d-transition metals adsorbed on anthracene: a relativistic density functional theory study

6. First principle study of magnetic and electronic properties of single X (X= Al, Si) atom added to small carbon clusters (C n X, n= 2–10)

7. Analysis of cooperative effects between uniaxial and torsional strains in carbon nanotubes

8. DNA Binding Mode and Affinity of Antitumor Drugs of 2-aroylbenzofuran-3-ols: Molecular Dynamics Simulation Study

9. Binding of 1-substituted carbazolyl-3, 4-dihydro-β-carbolines with DNA: Molecular dynamics simulation and MM-GBSA analysis

10. Magnetic and structural properties of single 3d transition metals adsorbed on corannulene: A density functional theory study

11. Relativistic first-principles study on spin and orbital magnetism of mattagamite (CoTe2)

12. Magnetic properties of cobalt single layer added on graphene: A density functional theory study

13. RELATIVISTIC FIRST-PRINCIPLES STUDY ON SPIN AND ORBITAL MAGNETISM OF MATTAGAMITE (COTE 2)

14. The Effect of Solvent on Tautomerization of 4-bromo Substituted 1HPyrazoles: Density Functional Theory Study

15. First principles study on proton transfer between amino acid side chains of histidine and aspartic acid in β-structure

16. First principles study on structural and magnetic properties of small and pure carbon clusters (C n, n= 2–12)

17. The effect of glutamic acid side chain on acidity constant of lysine in beta-sheet: A density functional theory study

18. Abnormal electronic transport in disordered four-terminal graphene nanodevice

19. Spin and orbital magnetism of coinage metal trimers (Cu3, Ag3, Au3): A relativistic density functional theory study

20. Magnetic Properties of Single-Walled Carbon Nanotube Terminated by Si Atoms: A Density Functional Theory Study

21. Magnetic properties of single 3d transition metals adsorbed on graphene and benzene: A density functional theory study

22. Application of cellular automata to sewer network optimization problems

23. Spin and orbital magnetism of a single 3 d transition-metal atom doped into icosahedral coinage-metal clusters X 12 (X= Cu, Ag, Au)

24. First principles study on magnetic properties of Zn vacancies in ZnO doped with single chalcogen X (X= S, Se, and Te)

25. First principles study on spin and orbital magnetism of 3d transition metal monatomicnanowires (Mn, Fe and Co)

26. First principles study on spin and orbital magnetism in CuFeSb and CuCoSb alloys with C1 b structure

27. Magnetic properties of 3d transition metals adsorbed on benzene: a density functional theory study

28. Spin and orbital magnetism in 3d transition metal nanowires (Mn, Fe, and Co): a density functional theory study

29. Magnetic state around cation vacancies in II–VI semiconductors

30. Spin and orbital magnetism of FeBr2: a density functional theory study

31. Spin and orbital magnetism in full Heusler alloys: A density functional theory study of Co 2 Y Z (Y= Mn, Fe; Z= Al, Si, Ga, Ge)

32. LSDA+ U versus LSDA: towards a better description of the magnetic nearest-neighbor exchange coupling in Co-and Mn-doped ZnO

33. Spin and orbital magnetism of Au3Co: Density functional calculations

34. Nearest neighbor exchange in Co-and Mn-doped ZnO

35. Orbital polarization in the Kohn-Sham-Dirac theory

36. Magnetic properties of Co impurities in bulk Au: DFT calculations

37. Coupling of intrinsic Josephson junctions and subgap structure in the current–voltage characteristics of high-Tc superconductors

YM Shukrinov, K Nasrulaev, M Sargolzaei, G Oya, A Irie
Superconductor Science and Technology, 15, 178 (2001)  Q1