Department of  PHYSICS

Dr. Badiur Rahaman Assistant Professor / PHYSICS

Email :

Address : Department of Physics, Aliah University, Newtown, Kolkata

Phone : +91-33 23416525

Room No : 2nd Floor

Joined : October 2009;

Telephone: +91-33 23416525

Address: Department of Physics, Aliah University, Newtown, Kolkata-700156


Thesis title: Electronic & Magnetic Properties of Quantum Spin Systems

Guide Name: Dr. Tanusri Saha-Dasgupta,

Institute/Organization/University: Jadavpur University
Place of Research: S.N. Bose National Centre for Basic Sciences, Saltlake, Kolkata

Date of Registration: 20.11.2006

Year of Award: 8th April 2009

M.Sc. (Physics), 2001
 Precidency College, Calcutta University

B.Sc. (Physics Hons.), 1999
Jangipur College, Calcutta University

Teaching Experience

2009- present: Asstt. Professor, Department of Physics, Aliah University


Field of Specialization

  • DFT based Computational Physics
  • Condensed Matter Physics
  • Materials Science

Research Area

Novel materials are a key to new technologies. Increasingly, technologies are becoming materials limited, so far new industries to develop, it is essential to discover materials with improved properties. Considering the advances in computational methods and computer hardware over the last few years, it is not surprising that modeling is playing an ever increasing role in the search for new materials. Material-specific theory, especially computational theory, is being used to understand the properties of novel materials in microscopic terms, and the understanding thus gained has often proved essential for the optimization of the known and the search for new materials.

The electrical, magnetic and optical properties of materials are controlled by their composition and structure; the structure and also strength of materials are determined by the chemical bonding between the atoms. Hence, “the chemistry controls the physical properties”.

At the root of all of these properties are the electrons: Valence electrons are responsible for the chemical bonding, conduction electrons for the electrical properties and both types of electrons are responsible for the magnetic and optical properties. The valence electrons can be described quite accurately without the use of adjustable parameters, that is ab initio, by an effective one-electron Schrodinger equation derived from a so-called local density approximation (LDA) to the density-functional formalism (Khon-Sham equation). Also the conduction electrons can be described by such a one-electron Schrodinger equation, although for nearly localized d or f-electrons the LDA is merely a first, rough approximation.

Specific area of work:

  • First principle electronic structure calculation of Complex Materials

  • Microscopic investigation of Strongly Correlated Systems

  • Electronic and magnetic properties of Low Dimensional Quantum Spin Systems


Journal Papers Published

  1. Interplay of Alternation and Further Neighbor Interaction in 1-DS=1/2 spin chain: A case study with Cs2CuAl4O8, Phys. Rev. B 98, 144412 (2018).
  2. Spin-order-induced ferroelectricity and magnetoelectric effect in LiCuFe2(VO4)3,Physical Review Applied, 10, 034008 (2018).
  3. Thermodynamic properties, Mössbauer study and first principles calculations of TlFe(MoO4)2, Journal of Materials Chemistry C, 122, 19746-19755 (2018).
  4. Canted antiferromagnet superimposed on a buckled kagome network in RbMn4(PO4)3, Acta crystallographica Section C 74, 641-649 (2018).
  5. Electronic structure and microscopic model of CoNb2O6,AIP Conference Proceedings, 1953, 120011 (2018).
  6. Comparative study of electronic structure and microscopic model of SrMn3P4O14 and Sr3Cu3(PO4)4, AIP Conference Proceedings, 1953, 140037  (2018).
  7. Structure-Property Relationships in α-, β-, and γ-Modifications of Mn3(PO4)2, Inorg. Chem. 55, 10692-10700 (2016).
  8. Magnetic, resonance, and optical properties of Cu3Sm(SeO3)2O2Cl:A rare-earth francisite compound,Phys. Rev. B. 94, 054401 (2016).
  9. Vehement competition of multiple superexchange interactions and peculiar magnetically disorder state in Cu(OH)F, Journal of the Physical Society of Japan 85, 024709 (2016).
  10. Valence-bond solid as the quantum ground state in honeycomb layer urusovite CuAl(AsO4)O, Phys. Rev. B 91, 144406 (2015).
  11. The long-range magnetic order and underlying spin model in shattuckite Cu5(SiO3)4(OH)2 Phys Chem Minerals 015-0772-7 (2015).
  12. First principles study of electronic structure for cubane-like and ring-shaped structures of M4O4, M4S4 cluster (M=Mn, Fe, Co, Ni, Cu), AIP Advance 5, 117231 (2015).
  13. Crystal Structure, Physical Properties and Electronic and Magnetic Structure of the Spin S = 5/2 Bi2Fe(SeO3)2OCl3, Inorg. Chem. 53, 5830−5838 (2014).
  14. Magnetic properties of PdAs2O6: A dilute spin system with an unusually high Neel temperature, Phys. Rev. B 85, 115118 (2012).
  15. Structural and magnetic aspects of the nanotube system Na2V3O7, Phys. Rev. B 78, 214426 (2008).
  16. Color properties of the model spin chain materials VOHPO4.1/2H2O and (VO) 2P2O7, Phys. Rev. B 77, (2008).
  17. Effects of Two Energy Scales in Weakly Dimerized Antiferromagnetic Quantum Spin Chains, Phys. Rev. Lett. 99, 057204 (2007).
  18. Microscopic model for the frustrated Cu II-spin tetrahedron-based Cu4Te5O12X4 (X=Cl, Br) systems, Phys. Rev. B 75, 024404 (2007).
  19. Electronic structure and microscopic model of V2GeO4F2-a quantum spin system with S = 1, J. Phys.: Condens. Matter 19, 296206 (2007).
  20. Cu-based metalorganic systems: an ab initio study of the electronic structure, New Journal of Physics 9, 26, (2007).
  21. Electronic structures and low-dimensional magnetic properties of the ordered rocksalt oxides Na3Cu2SbO6 and Na2Cu2TeO6, Phys. Rev. B 76, 104403 (2007).
  22. Microscopic modeling of a spin crossover transition, New Journal of Physics 9, 448 (2007).
  23. Field-induced phase transition in a metalorganic spin-dimer system--a potential model system to study Bose-Einstein condensation of magnons, Journal of Magnetism and Magnetic Materials 310, 1319 (2007).
  24. Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X = Cl, Br and Cu4Te5O12Cl4, Physica C 460-462, 462 (2007).
  25. Modified 1,4-hydroquinone ligands bridging CuII ions-Building blocks for a new class of quantum magnets, C. R. Chimie 10, 109-115 (2007).

Ph.D. Thesis Guidance


  • Kaimujaman Molla (Thesis submitted)

  • Dilruba Khanom

  • Asif Iqbal

  • Abdul Lahil Safi

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