Dr. Bamidele I. Adetunji

Dr. Bamidele I. Adetunji
CNR-NANO Istituto Nanoscienze, Centro S3
email: bamideleibrahim.adetunji[at]
phone: +39 059 2055273 | fax: +39 059 374794
url :


Present position & appointments
- Since Nov 2019 - Postdoctoral fellow at CNR-NANO S3 Modena, IT

My research interest involve the investigation of semiconductor materials ( e.g Full and half-Heusler alloys) properties for photovoltaic, thermoelectric and spintronic devices applications using density functional theory.

Currently, I am investigating the properties of Si-SiGe-Ge alloys within the activity of the EU project iQubits.

List of publications

  1. P.O Adebambo, R.O Agbaoye, A.A Musari, B.I Adetunji, G.A Adebayo, “Band structure, thermoelectric properties, effective mass and electronic fitness function of two newly discovered 18 valence electrons stable half-Heusler TaX(X=Co,Ir)Sn semiconductors: A density functional theory approach” Solid State Sciences 100, 106096 (2020)
  2. B.I Adetunji, P.O Adebambo, M.K Bamgbose, A.A Musari, GA Adebayo “Predicting the elastic, phonon and thermodynamic properties of cubic HfNiX (X = Ge and Sn) Half Heulser alloys: a DFT study”, The European Physical Journal B 92 (10), 231(2019)
  3.  A.A Musari, B.I Adetunji, P.O Adebambo, G.A Adebayo, “Lattice dynamics and thermodynamic investigation of MNiSn (M = Hf, Ti and Zr) Half-Heusler compounds: Density functional theory approach”
    Materials Today Communications, 100671, (2019)
  4. R.O Agbaoye, P.O Adebambo, B.I Adetunji, O Osafile, G.A Adebayo, “Thermoelectric properties, optimal doping levels and high figure of merit in Cobalt-based Half/Full Heusler alloys by First-Principles calculations” Materials Science and Engineering: B 248, 114409, (2019)
  5. M.I Babalola , B.I Adetunji , B.E Iyorzor, A. Yaya, “Exploring the impact of hydrostatic pressure on the Structural, Electronic and Mechanical properties of ZrNiPb Half-Heusler alloy: A DFT approach” Int. J. Mod. Phys. B. Vol. 32, No. 23, 1850248 (2018)
  6. B.E Iyorzor, M.I Babalola, B.I Adetunji, F. Bakare, “Effect of Tellurium concentration on the electronic, structural and mechanical Properties of Beryllium Sulphide: A DFT approach” Materials Research Express 5 (5), 056517, (2018)
  7. B.I Adetunji, A.S. Olayinka , J.B. Fashae and V.C. Ozebo, “Ab-initio investigation of the electronic,lattice dynamic and thermodynamic properties of ScCd intermetallic alloy” Int. J. Mod. Phys. B, Vol. 30, No. 24, p1650175, (2016)
  8. B.I Adetunji, “Pressure effect on the Structural and Electronic properties of CuInS 2 ” Solid State Sciences 55, p42-47, (2016)
  9. P.O Adebambo, B.I Adetunji, J.A Olowofela, J.A Oguntuase, G.A Adebayo, “Prediction of metallic and half-metallic structure and elastic properties of Fe 2 Ti 1-x Mn x Al Heusler alloys” Physica B: Condensed Matter 485, p103-109, (2016)
  10. B.I. Adetunji, G.A. Adebayo and S. de Gironcoli,”Structural and elastic properties of strained Mg1-x Sr x Se revealed” Solid State Communications 178, p46-49, (2014)
  11. B.I. Adetunji, P.O. Adebambo, J.O. Akinlami and G.A. Adebayo,”Electronic and elastic properties of zinc-blende MgSe.” Int. J. Mod. Phys. B 27, 9 , p1350027, (2013)
  12. B.I. Adetunji, P.O. Adebambo and G.A. Adebayo, “ First principles studies of band structure and electronic properties of ZnSe. “ J. Alloys Compds. 513, p294, (2013)