To develop advanced theory, algorithms and numerically efficient codes to explain various properties, structure and behavior of materials.
Recent interests involve :
- Magnetism and Spintronics
- Understanding exotic phases of Superconductors and Topological Insulators.
- Effect of variable relaxation time on thermoelectric properties of materials
- Electronic and Optical properties of solar harvesting materials
- Electro and Photocatalysis
Electronic Structure and Thermodynamics of Alloys :
- Transition metals, Binary and Ternary Alloys.
- Long-range, Partial and Short-Range Ordering in Alloys.
Vibrational properties of intermetallic and disordered materials :
- Phonon dispersion, vibrational entropy, short-range ordering.
Response functions in materials with defects :
- Electrical conductivity, Electronic and Lattice thermal conductivity
1. Sibimol Luke, Manjunath Chatti, Asha Yadav,........ Aswani Yella, Aftab Alam* and Alexandr N. Simonov
Mixed metal-antimony oxide nanocomposites : low pH water oxidation electrocatalysts with outstanding durability
at ambient and elevated temperatures
J. Mater. Chem. A 9, 27468 (2021)
2. Jiban Kangsabanik, H. Borkar, Bhawna, M. S. Siddiqui, M. Aslam and Aftab Alam*
Origin of High Non-radiative Recombination and Relevant Optoelectronic Properties of Ba2Bi_1+xNb1-xO6: Candidate for
Photo(electro) catalysis and Photovoltaic Application [Featured in "Hot Topic: Photocatalysis" Section of Wiley]
Advanced Optical Materials 2000901, 1-10 (2020)
3. C K Barman. Prashant Singh, D D Johnson and Aftab Alam*
Revealing the nature of antiferro-quadrupolar ordering in cerium hexaboride CeB_6
Phys. Rev. Lett 122, 076401 (2019)
4. Jiban Kangsabanik, Vipinraj Sugathan, Anuradha Yadav, Aswani Yella and Aftab Alam*
Double Perovskites overtaking the single perovskites: A set of new solar harvesting materials with much higher stability and efficiency
Phys. Rev. Materials 2, 055401 (2018)
5. Vikram, Jiban Kangsabanik, Enamullah and Aftab Alam*
Bismuth based Half Heusler Alloys with giant thermoelectric figure of merit
J. of Mater. Chem. A 5, 6131-6139 (2017)
6. Akash Kumar, K. R. Balasubramaniam, Jiban Kangsabanik, Vikram, and Aftab Alam*
Crystal structure, stability and optoelectronic properties of the organic-inorganic wide-band-gap perovskite CH3NH3BaI3: Candidate for transparent conductor applications
Phys. Rev. B 94, 180105 (Rapid) (2016)
7. Lakhan Bainsla, A. I. Mallick, Aftab Alam, K. G. Suresh et al.
Spin gapless semiconducting behavior in equiatomic quaternary CoFeMnSi Heusler alloy
Phys. Rev. B 91, 104408 (2015).
8. R K Chouhan, Aftab Alam*, S Ghosh and A Mookerjee
Interplay of force constants in the lattice dynamics of disordered alloys: An ab-initio study
Phys. Rev. B 89, 060201 (Rapid) (2014).
9. Aftab Alam, M Khan, R W McCallum and D. D. Johnson
Site-preference and valency for rare-earth sites in (R-Ce)2Fe14B magnets
Appl. Phys. Lett. 102, 042402 (2013)
10. M G Kim, Aftab Alam et al.,
Effects of transition metal substitutions on the incommensurability and spin fluctuations in BaFe2As2 by elastic and inelastic neutron scattering
Phys. Rev. Lett. 109, 167003 (2012)
11. Aftab Alam and D D Johnson
Chemically Mediated Quantum criticality in NbFe2
Phys. Rev. Lett. 107, 206401 (2011).