Paper published/submitted in Scientific Journals:
After Joining IIT Bombay :
129. Biphenylene Nanoribbon as a Promising Electrocatalyst for Hydrogen Evolution
Radha N. Somaiya, Zicong Marvin Wong, Teck Leong Tan, B. Chakraborty and Aftab Alam*
Phys. Rev. Applied (2024) (in press)
128. Structural, electronic, elastic and optical properties of rubidium-based perovskites RbSrX3 (X=Cl, Br) for optoelectronic applications - A DFT Study
G.. Ajay, V Ashwin, M. M. S. Sirajuddeen and Aftab Alam*
127. Mixed-halide Vacancy-Ordered Double Perovskite for Photovoltaic and Photocatalysis Applications
Sanika S. Padelkar, Vikram, Jacek J. Jasieniak, Alexandr N. Simonov and Aftab Alam*
Phys. Rev. Applied 21, 044031 (2024)
126. Griffith's phase-like behavior in nearly half-metallic CoFeVAl: Theory and Experiment
Barnabha Bandyopadhyay, Jadupati Nag, Sabyasachi Paul, M K Chattopadhyay, Archana Lakhani, Aftab Alam* and K G Suresh
Phys. Rev. B 109, 094433 (2024)
125. Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in CsBeO3 under pressure - A DFT study
M. Mohamed Sheikh Sirajuddeen, Aftab Alam*, A. Shahjahan, and E. Manikandan
Chem. Phys. Impact, 8, 100553 (2024)
124. Large Magnetocaloric Effect and Exchange Bias Properties in Mn-Ni-Co-Sn Full Heusler Alloy
Jyoti Sharma, Aftab Alam* and K. G. Suresh
J. of Alloys and Compounds 983, 173908 (2024)
123. Martensitic and room temperature magnetocaloric properties of Mn-rish Mn-Ni-Sn Heusler alloys: Experiment and Theory
Jyoti Sharma, A. A. Coelho, K. G. Suresh and Aftab Alam*
Phys. Rev. B 109, 064418 (2024)
122. Optoelectronic and transport properties of vacancy-ordered double perovskite halides: A first principles study
Supriti Ghorui, Jiban Kangsabanik, M. Aslam and Aftab Alam*
Phys. Rev. Applied 21, 024036 (2024)
121. HaHc (hydroxylamine hydrochloride) Assisted Dual Surface Passivation Via Charge Neutralisation and Co-ordination Bond Formation of Cs2AgBiBr6
Sumit K Sharma, Sanika S. Padelkar, Gyanendra Shankar, Monika Saleh, Jacek J. Jasieniak, Alexandr N. Simonov, Aftab Alam* and Aswani Yella
J. Phys. Chem. C 128, 1024-1033 (2023)
120. Lead-free Magnetic Double Perovskites for Photovoltaic and Photocatalysis Applications
Muskan Nabi, Sanika S. Padelkar, Jacek J. Jasieniak, Alexandr N. Simonov and Aftab Alam*
Phys. Rev. Applied 21, 014063 (2023)
119. Topological spin semimetal feature in fully compensated ferrimagnet CoRuVSi
Jadupati Nag, R Venkatesh, Ajay Jha, Plamen Stamenov, P. D. Babu , Aftab Alam* and K G Suresh
ACS Appl. Elect. Materials 5, 11, 5944 (2023)
118. Colossal anomalous hall conductivity and topological Hall effect in ferromagnetic kagome metal Nd3Al
Durgesh Sing, Jadupati Nag, Sankararao Yadam, V Ganesan, Aftab Alam* and K G Suresh
App. Phys. Lett. 123, 171902 (2023)
117. Oxygen and moisture-induced healing of halide double perovskite surface defects
Bhawna, Aftab Alam* and M Aslam
J. of Chem. Phys. 159,084703 (2023)
116. Unconventional electronic phase transition in SnBi2Te4: Role of anomalous thermal expansion
T K Dalui, Bishal Das, C K Barman, P K Ghose, A Sarma, S K Mahata, F Diekmann, K Rossnagel, S Majumdar, Aftab Alam* and S Giri
J. Physics: Condensed Matter, 35, 465701 (2023)
115. Anion/cation Substitution in Lead-free Halide Double Perovskite Films: Towards Bandgap Optimization
Bhawna Kalonia, Aftab Alam* and M. Aslam
Nanomaterials and Energy 12, 1, 1-7 (2023)
114. Novel quasi 2D PdSi_{2-x}Ge_{x}N_4: Promising Candidate for Spontaneous Overall Water Splitting
Radha N Somaiya and Aftab Alam*
ACS Applied Energy Materials 6, 14, 7578-7586 (2023)
113. Intrinsic Berry Curvature Driven Anomalous Nernst Thermopower in the Semimetallic Heusler alloy CoFeVSb
Amit Chanda, J. Nag, Aftab Alam K. G. Suresh, Manh-Huong Phan and Hari Srikanth
Phys. Rev. B 107, L220403 (Letter) (2023)
112. Book Chapter entitled "Advances in Synthesis and Defect Properties of Halide Perovskite Nanocrystals: Experimental and Theoretical Perspectives
Bhawna, Supriti Ghorui, Aftab Alam* and M. Aslam
Springer: eBook ISBN, 978-981-99-11350-3 (2023)
111. Two-dimensional layered structures of group-V elements as transparent conductors: Insight from a first principles study
Gurudayal Behera, Jiban Kangsabanik, Brahmananda Chakraborty, K R Balasubramaniam and Aftab Alam*
Phys. Rev. Applied 19, 054068 (2023)
110. VTaNbAl: A class of spin gapless semiconductors with topological nontrivial features
Deepika Rani, P.C. Sreeparvathy, K. G. Suresh Ratnamala Chatterjee and Aftab Alam*
Phys. Rev. B 107, 134434 (2023)
109. Nontrivial topological features and Griffith's-phase behavior in CrFeVGa probed by experiment and theory
Jadupati Nag, P.C. Sreeparvathy, R. Venkatesh, P. D. Babu, K. G. Suresh and Aftab Alam*
Phys. Rev. Applied 19, 044071 (2023)
108. BiOBr surface-functionalized halide double-perovskite films for slow ion migration and improved stability
Bhawna, Mrinmoy ROy, Amandeep Kaur, Aftab Alam and M. Aslam
ACS Appl. Mater. Interface 15, 14, 18473-18481 (2023)
107. FeRhCrSi: Spin semimetal with spin-valve behavior at room temperature
Y. Venkateswara, J. Nag, S. S. Samatham, A. K. Patel, P. D. Babu, M. R. Varma, J. Nayak, K. G. Suresh and Aftab Alam*
Phys. Rev. B 107, L100401 (Letter) (2023) (Editors' Suggestion)
106. Large exchange bias in Mn-Ni-Sn Heusler alloys: Role of cluster spin glass state
Jyoti Sharma, K G Suresh and Aftab Alam*
Phys. Rev. B 107, 054405 (2023)
105. A first principles study of structural, electronic, elastic, thermal and optical properties of perovskite semiconductors SiZrO3 and GeZrO3
G Ajay, Aftab Alam, M S Sirajuddeen
Semicond. Science Technol. 38 015010 (2022)
104. Emergence of asymmetric skew-scattering dominated anomalous Nernst effect in spin gapless semiconductors Co_{1+x}Fe_{1-x}CrGa
A Chanda, Deepika Rani, Jadupati Nag, Aftab Alam, K. G. Suresh, M. H. Phan and H. Srikanth
Phys. Rev. B 106, 134416 (2022)
103. Lead Free Potassium Alloyed Cs2AgBiBr6: Tunable Optoelectronic Properties and Carrier-Lattice Interaction
Vipinraj Sugatham, Jiban Kangsabanik, Aftab Alam* and Aswani Yella
Energy & Fuels 36, 18, 11100-11107 (2022)
102. Co-existence of multifold and multidimensional topological phonons in KMgBO3
P. C. Sreeparvathy, C. Mondal, C. K. Barman and Aftab Alam*
Phys. Rev. B 106, 085102 (2022)
101. Quasi-2D carrier transport in KMgBi for promising thermoelectric performance
Vikram, Bhawna Sahni, Ankit Jain and Aftab Alam*
ACS Applied Energy Materials 5, 9141-9148 (2022)
100. Mixed functionalized Sc2C-T (T=O, OH, F) MXene for electrocatalytic CO2 reduction reaction: Insight from first principles calculation
Asha yadav, Vikram, Nirpendra Singh and Aftab Alam*
Phys. Rev. Applied 18, 024020 (2022)
99. CoFeVSb: A promising candidate for Spin valve and thermoelectric applications
Jadupati Nag, Deepika Rani, Durgesh Singh, R. Venkatesh, Bhawna Sahni,... K G Suresh and Aftab Alam*
Phys. Rev. B 105, 144409 (2022)
98. Weak antilocalization effect and triply degenerate state in Cu-doped CaAuAs
Sudip Malick, Arup Ghosh, Chanchal K Barman, Aftab Alam* Z. Hossain, Prabhat Mandal and J. Nayak
Phys. Rev. B 105, 165105 (2022)
97. Formation of tungsten carbide by focussed ion beam process: A route to high magnetic field resilient patterned superconducting nanostructures
Himadri Chakraborty, Bhanu Joshi, Chanchal K. Barman,................. Aftab Alam* and K Das Gupta
App. Phys. Lett. 120, 132601 (2022)
96. Facile Strategy to synthesize Cesium Gold-based bromide perovskites: An integrated experimental and theoretical approach to study temperature-dependent structural and optical properties
Bhawna, Vikram, Mrinmoy Roy, Supriti Ghorui, Aftab Alam* and M. Aslam
J. of Mater. Chem. C 10, 4224-4235 (2022)
95. Disorder-induced quenching of magnetization in NbVTIAl: Theory and Experiment
Deepika Rani, Jiban Kangsabanik, K G Suresh and Aftab Alam*
J. of Magnetism and Magnetic Materials 551, 169124 (2022)
94. Mixed metal-antimony oxide nanocomposites : low pH water oxidation electrocatalysts with outstanding durability at ambient and elevated temperatures
Sibimol Luke, Manjunath Chatti, Asha Yadav,........ Aswani Yella, Aftab Alam* and Alexandr N. Simonov
J. Mater. Chem. A 9, 27468-27484 (2021)
93. Photoinduced Quasi-2D to 3D Phase Transformation in Hybrid Halide Perovskite Nanoplatelets
Mrinmoy Roy, Vikram, Bhawna, Aftab Alam* and M. Aslam
Phys. Chem. Chem. Phys. 23, 27355-27364 (2021)
92. Realizing Topological States in Type-II Dirac semimetal PdTe2: An Angle Resolved Photoemission and Quantum Oscillations Study
Jadupati Nag, Anshu Kataria, Ravi Prakash Singh, Soma Banik, Aftab Alam* and K G Suresh
Bull. Mater. Sci. 45, 1 (2021)
91. Novel Two-Dimensional MA2N4 Materials for Photovoltaic and Spintronic Applications
Asha Yadav, Jiban Kangsabanik, Nirpendra Singh and Aftab Alam*
J. Phys. Chem. Lett. 12, 10120-10127 (2021)
90. Bipolar Magnetic Semiconducting behavior in VNbRuAl
Jadupati Nag, Deepika Rani, J Kangsabanik, Durgesh Singh, R Venkatesh, P. D. Babu, K. G. Suresh and Aftab Alam*
Phys. Rev. B 104, 134406 (2021)
89. Phonon Transport in Disordered Alloys: A Multiple Scattering Approach
Aftab Alam*
Phys. Rev. B 104, 104202 (2021)
88. High Tc ferromagnetic inverse Heusler alloys: A comparative study of Fe2RhSi and Fe2RhGe
Y. Venkateswara, S. Sanmukharao Samatham, Akhilesh K. Patel, P. D. Babu, M. R. Varma, K. G. Suresh and Aftab Alam*
Phys. Rev. B 104, 094402 (2021)
87. Intertwined nontrivial band topology and giant Rashba spin splitting
Chiranjit Mondal, C K Barman, Aftab Alam* and Biswarup Pathak
Phys. Rev. B 104, 085113 (2021)
86. Intra-unitcell cluster-cluster magnetic compensation and large exchange bias in cubic alloys
Bimalesh Giri, Bhawna Sahni, C. salazar Mejia, S. Chattopadhyay, Uli Zeitler, Aftab Alam* and Ajaya K. Nayak
Phys. Rev. B 104, 014413 (2021)
85. First-Principles Study of Surface Passivation Effect in Si/MoOx Interface
Gurudayal Behera, Vikram, Akash Kumar, Balasubhramaniam Kavaipatti and Aftab Alam*
J. Phys. Chem. C 125, 11513-11523 (2021)
84. Co-existence of Topological Non-trivial and Spin Gapless Semiconducting behaviour in MnPO4: A composite Quantum Compound
Chia-Hsiu Hsu, P. C. Parvathy, C. K. Barman, Feng-Chuan Chuang and Aftab Alam*
Phys. Rev. B 103, 195143 (2021)
83. Conical order, magnetic compensation, and sign reversible exchange bias in spinel structured A2BO4 compounds: A Monte Carlo Study
Debashish Das and Aftab Alam*
Phys. Rev. Materials 5, 044404 (2021)
82. Spontaneous anion-exchange synthesis of optically active mixed-valence Cs2Au2I6 perovskite from layered CsAuCl4 perovskite
Bhawna Kalonia, Mrinmoy Roy, Vikram, Hitesh Borkar, Aftab Alam* and M Aslam
Chem. Comm. 57, 1478-1481 (2021)
81. Spontaneous Ion Migration via Mechanochemical Ultrasonication in Mixed Halide Perovskite Phase formation: Experimental and Theoretical Insights
Mrinmoy Roy, Vikram, Urvi Dedhia, Aftab Alam* and M Aslam
J. Phys. Chem. Lett. 12, 1189-1194 (2021)
80. Effect of Pd Alloying on Structural, Electronic and Magnetic properties of L1_0 Fe-Ni
Prashant Singh, Debashish Das, Duane D Johnson, Raymundoi Arroyave and Aftab Alam*
J. Phys.: Condense Matter 33, 154003 (2021) [Invited Special Issue Article]
79. Spin-gapless Semiconductors: Fundamental and Applied Aspects
Deepika Rani, Lakhan Bainsla, Aftab Alam* and K G Suresh
J. Appl. Phys. 128, 220902 (2020) [Invited Perspective Article]
78. Origin of High Nonradiative Recombination and Relevant Optoelectronic Properties of Ba_2Bi_{1+x}Nb_{1-x}O6: Candidate for Photo(electro)catalysis and Photovoltaic Applications
Jiban Kangsabanik, Hitesh Borkar, Bhawna, M S Siddiqui, M Aslam and Aftab Alam*
Adv. Optical Mater. 2000901, 1-10 (2020) [Featured in "Hot Topic: Photocatalysis" Section of Wiley]
77. Structural, magnetic and electronic properties of equiatomic quaternary Heusler alloy CoRhTiAl
Jadupati Nag, Deepika Rani, K G Suresh and Aftab Alam*
AIP Conference proceedings 2265, 030551 (2020)
76. Symmetry protection and giant Fermi arcs from multifold fermions in binary, ternary and quaternary compounds
C K Barman, Chiranjit Mondal, Sumiran Pujari, Biswarup Pathak and Aftab Alam*
Phys. Rev. B 102, 155147 (2020)
75. Enhanced Visible Light Absorption in Layered Cs3Bi2Br9 Perovskites: Heterovalent Pb(2+) Substitution-Induced Defect Band Formation
Mrinmoy Roy, Supriti Ghorui, Bhawna, Jiban Kangsabanik, Rekha Yadav, Aftab Alam* and M Aslam
J. Phys. Chem. C 124, 19484-19491 (2020)
74. Symmetry driven topological phases in XAgBi (X=Ba,Sr): An Ab-initio Hybrid Functional Calculation
C K Barman, Chiranjit Mondal, Biswarup Pathak and Aftab Alam*
Phys. Rev. Mater. 4, 084201 (2020)
73. Contrasting temperature dependence of band gap in CH3NH3PbX3 (X=I,Br,Cl): Insight from lattice dilation and electron-phonon coupling
Rishabh Saxena, Jiban Kangsabanik, Aftab Alam* and D Kabra et al.
Phys. Rev. B 102, 081201 (Rapid) (2020)
72. Robust topological Hall effect driven by tunable non-coplanar magnetic state in Mn-Pt-In inverse tetragonal Heusler alloys
Bimalesh Giri, Arif Iqbal Mallick, Charanpreet Singh, P V Prakash Madduri, Francoise Damay, Aftab Alam and A K Nayak
Phys. Rev. B 102, 014449 (2020)
71. Reliable Prediction of New Quantum Materials for Topological and Renewable Energy Applications: A High-Throughput Study
Bhawna Sahni, Vikram, Jiban Kangsabanik and Aftab Alam*
J. Phys. Chem. Lett. 11, 6364-6372 (2020)
70. Ab-initio Discovery of Stable Double Perovskite Oxides Na2BIO6 (B=Bi, In) with Promising Optoelectronic Properties
Jiban Kangsabanik and Aftab Alam*
J. Phys. Chem. Lett. 11, 5148-5155 (2020)
69. Unique Dirac and Triple point Fermiology in simple transition metals and their binary alloys
Chiranjit Mondal, C K Barman, Shuvam Sarkar, Sudipta Roy Barman, Aftab Alam* and Biswarup Pathak
Phys. Rev. B 101, 155108 (2020)
68. First-principles concentration-wave approach to predict incipient order in high entropy alloys: case of Ti_{0.25}CrFeNiAl_{x}
Prashant Singh, A V Smirnov, Aftab Alam* and Duane D Johnson
Acta Materialia 189, 248-254 (2020)
67. Lattice Dynamics and Electron-Phonon Coupling in Lead-Free Cs2AgIn_{1-x}Bi_{x}Cl6 Double Perovskite Nanocrystals
Debjit Manna, Jiban Kangsabanik, T K Das, Debashish Das, Aftab Alam* and Aswani Yella
J. Phys. Chem. Lett. 11, 2113-2120 (2020)
66. Half-metallic ferromagnetism and Ru-induced localization in quaternary Heusler alloy CoRuMnSi
Y Venkateswara, Deepika Rani, K G Suresh and Aftab Alam*
J. of Magnetism and Magnetic Materials 502, 166536 (2020)
65. Vikram, Bhawna Sahni, C K Barman and Aftab Alam*
Reply to comment on " Accelerated Discovery of New 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials"
J. Phys. Chem. C 123 (12), 7074 (2020) [Reply]
64. Optoelectronic Properties and Defect Physics of Gold Mixed Valence Halide Perovskites: Potential Lead-free Photovoltaic Absorber
J Kangsabanik, S Ghorui, M Aslam and Aftab Alam*
Phys. Rev. Applied 13, 014005 (2019) (Editors' Suggestion)
63. Type-II Dirac states in full Heusler compounds XInPd2 (X=Ti, Zr and Hf))
Chiranjit Mondal, C K Barman, Biswarup Pathak and Aftab Alam*
Phys. Rev. B 100, 245151 (2019)
62. Application of innovative one dimensional periodic isolation systems for seismic response reduction of bridges
Saumitra Jain, Althaf VS Shaik, Arghadeep Laskar and Aftab Alam*
61. A measure of authorship by publications
Conan Mukherjee, Ranojoy Basu and Aftab Alam*
Manag. and Decision Economics 1-8 (2019)
60. Co-existence of spin semi-metallic and Weyl semi-metallic behavior in FeRhCrGe
Y Venkateswara, S S Samantham, P D Babu, K G Suresh and Aftab Alam*
Phys. Rev. B 100, 180404 (Rapid) (2019)
59. High performance ternary alkali nitrides for renewable energy applications
Jiban Kangsabanik and Aftab Alam*
Phys. Rev. Material 3, 105405 (2019)
58. Experimental and Theoretical Investigation on the possible half-metallic behavior of equiatomic quaternary Heusler alloys : CoRuMnGe and CoRuVZ (Z=Al, Ga)
Deepika Rani, Lakhan Bainsla, K G Suresh and Aftab Alam*
J. Magnetism and Magnetic Materials 492, 165662 (2019)
57. Broken symmetry driven topological semi-metal to gaped phase transitions in SrAgAs
C Mondal, C K Barman, Aftab Alam* and B Pathak
Phys. Rev. B 99, 205112 (2019)
56. Composition-Controlled Synthesis of Hybrid Perovskite Nanoparticles by Ionic Metathesis: Bandgap Engineering from Experiments and Theoretical Calculations
Mrinmoy Roy, Vikram, S Banerjee, Arijit Mitra, Aftab Alam* and M . Aslam
Chemistry: A European Journal 25, 1-11 (2019)
(Invited for a Graphical cover page)
55. Accelerated discovery of new 8-electron half-Heusler compounds as promising energy and topological quantum materials
Vikram, Bhawna Sahni, C K Barman and Aftab Alam*
J. Phys. Chem. C 123 (12), 7074-7080 (2019)
54. Spin-gapless semiconducting nature of Co-rich Co_{1+x}Fe_{1-x}CrGa
Deepika Rani, Enamullah, Lakhan Bainsla, K G Suresh and Aftab Alam*
Phys. Rev. B 99, 104429 (2019)
53. Revealing the nature of antiferro-quadrupolar ordering in cerium hexaboride CeB_6
C K Barman, P Singh, D D Johnson and Aftab Alam*
Phys. Rev. Lett. 122, 076401 (2019)
52. Quaternary Heusler alloy: An ideal platform to realize triple point fermions
C K Barman, C Mondal, B Pathak and Aftab Alam*
Phys. Rev. B 99, 045144 (2019)
51. Emergence of Topological insulator and Nodal line semi-metal states in XZBi (X=Na, K, Rb, Cs; Z=Ca, Sr)
C Mondal, C K Barman, Sourabh Kumar, Aftab Alam* and B Pathak
Scientific Reports 9, 527 (2019)
50. Topological nontrivial phase in the hexagonal antiperovskites A3BiB (A=Ba,Sr ; B=P,N)
C K Barman, Chiranjit Mondal, Vijay Singh, Biswarup Pathak and Aftab Alam*
Phys. Rev. B 98, 245149 (2018)
49. Origin of local atomic order and disorder in Co2Fe_{1-x}Cr_{x}Si Heusler Alloys : Theory and Experiment
Deepika Rani, Jiban Kangsabanik, K G Suresh, N Patra, D Bhattacharya, S N Jha and Aftab Alam*
Phys. Rev. Applied 10, 054022 (2018)
48. Enhanced thermoelectric performance of Mg2Si_{1-x}Sn_{x} co-doped with Bi and Cr
Vikram, D D Johnson and Aftab Alam*
Phys. Rev. B 98, 115204 (2018)
47. Effect of Fe substitution for Ti on the structural and magnetic properties of half-metallic ferromagnet Co2TiSn
D Rani, K G Suresh and Aftab Alam*
AIP Conference proceedings 1953, 120007 (2018)
46. Double Perovskites overtaking the single perovskites: A set of new solar harvesting materials with much higher stability and efficiency
Jiban Kangsabanik, Vipinraj Sugathan, Anuradha Yadav, Aswani Yella, and Aftab Alam*
Phys. Rev. Materials 2, 055401 (2018)
45. Topological phase transition in ternary Half-Heusler alloy ZrIrBi
C K Barman and Aftab Alam*
Phys. Rev. B 97, 075302 (2018)
44. Competing magnetic and spin gap-less semiconducting behaviour in fully compensated ferrimagnet CrVTiAl: Theory and Experiment
Phys. Rev. B 97, 054407 (2018)
43. Structural, electronic, magnetic and transport properties of equiatomic quaternary Heusler Alloy CoRhMnGe: Theory and Experiment
Deepika Rani, Enamullah, K G Suresh, A K Yadav, D Bhattacharya, M R Varma, Aftab Alam*
Phys. Rev. B 96, 184404 (2017)
42. Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys
Jiban Kangsabanik, R K Chouhan, D D Johnson and Aftab Alam*
41. Bismuth based Half Heusler Alloys with giant thermoelectric figure of merit
Vikram, Jiban Kangsabanik, Enamullah and Aftab Alam*
40. La-doped CH3NH3BaI3 : A promising transparent conductor
Jiban Kangsabanik, Vikram and Aftab Alam*
39. Crystal structure, stability and optoelectronic properties of the organic-inorganic wide-band-gap perovskite CH3NH3BaI3: Candidate for transparent conductor applications
Akash Kumar, K. R. Balasubramaniam, Jiban Kangsabanik, Vikram, and Aftab Alam*
38. Half-metallic, Co-based quaternary Heusler Alloys for spintronics: Defect- and pressure-induced transitions and properties
Enamullah, D. D. Johnson, K. G. Suresh, and Aftab Alam*
Phys. Rev. B 94, 184102 (2016)
Phys. Rev. B 92, 224413 (2015)
36. Origin of spin gapless semiconductor behavior in CoFeCrGa : Theory and Experiment
Lakhan Bainsla, A. I. Mallick, Aftab Alam, K. G. Suresh et al.
Phys. Rev. B 92, 045201 (2015).
35. High spin polarization and large spin splitting in equiatomic quaternary CoFeCrAl Heusler Alloy
Lakhan Bainsla, A. I. Mallick, Aftab Alam, K. G. Suresh et al.
J. of Magn. and Magnetic Materials 394, 82-86 (2015)
34. Spin gapless semiconducting behavior in equiatomic quaternary CoFeMnSi Heusler alloy
Lakhan Bainsla, A. I. Mallick, Aftab Alam, K. G. Suresh and K. Hono et al.
Phys. Rev. B 91, 104408 (2015).
33. Green’s function multiple-scattering theory with a truncated basis set: An Augmented -KKR formalism
Aftab Alam*, Suffian N Khan, A. V. Smirnov, D. M. Nicholson and Duane D. Johnson
Phys. Rev. B 90, 205102 (2014).
32. Better (Non) Rare-Earth Magnets - Using DFT Methods as a Computational Design Tool for Replacing Critical Materials
D. D. Johnson, A. Alam, A. Pathak, V. Pecharsky, K. Gschneidner Jr., R.W. McCallum
31. Mixed valency and site-preference chemistry for Cerium and its compounds : A predictive DFT study
Aftab Alam* and D. D. Johnson
Phys. Rev. B 89, 235126 (2014).
30. Fermi surface and phase stability of Ba(Fe,M)2As2 with (M=Co, Ni,Cu, Zn)
Phys. Rev. B 89, 205121 (2014).
29. Interplay of force constants in the lattice dynamics of disordered alloys: An ab-initio study
R. K. Chouhan, Aftab Alam*, S. Ghosh and A Mookerjee
Phys. Rev. B 89, 060201(Rapid) (2014).
28. Low-energy, planar magnetic defects in BaFe2As2: nanotwins, twins, antiphase and domain boundaries
S N Khan, Aftab Alam* and D D Johnson
Phys. Rev. B 88, 184515 (2013).
Before Joining IIT Bombay :
27. Lin-Lin Wang, ... Aftab Alam et al.
Native Defects in Tetradymite Bi2(Te_{x}Se_{3-x}) Topological Insulators
Phys. Rev. B 87, 125303 (2013).
26. Aftab Alam, M Khan, R W McCallum and D. D. Johnson
Site-preference and valency for rare-earth sites in (R-Ce)$_2$Fe$_{14}$B magnets
Appl. Phys. Lett. 102, 042402 (2013).
Reply to comment on " Accurate
and fast numerical solution of Poisson's equation for arbitrary,
space-filling Voronoi polyhedra near-field corrections revisited "
Phys. Rev. B 86, 127102 (2012).
24. M G Kim, Aftab Alam et al.,Effects of transition metal substitutions on the incommensurability and spin fluctuations in BaFe$_{2}$As$_{2}$ by elastic and inelastic neutron scattering
Phys. Rev. Lett. 109, 167003 (2012)
23. Aftab Alam, Biplab Sanyal and Abhijit Mookerjee
Effect of disorder on the electronic properties of graphene: A theoretical approach
Phys. Rev. B 86, 085454 (2012).
22. Aftab Alam and D D Johnson
Structure and Relative Stability of (Meta)Stable Ordered, Partially-ordered and Disordered Al-Li Alloy Phases
Phys. Rev. B 85, 144202 (2012).
21. R. K. Chouhan, Aftab Alam, Subhradip Ghosh and Abhijit Mookerjee
Lattice Thermal Properties of substitutional Alloys : A theoretical approach
Conference Proceedings of the 31st International Thermal Conductivity Conference 2011, Canada,
Pg. 309 (DEStech. Publications, Inc.)
20. Aftab Alam, Rajiv K. Chouhan and Abhijit Mookerjee
Thermal Conductivity and diffusion-mediated localization in Fe-Cr Alloys from first principles
Phys. Rev. B 84, 224309 (2011).
19. Aftab Alam, B.G. Wilson and D. D. Johnson
Accurate and fast numerical solution of Poisson's equation for arbitrary, space-filling Voronoi polyhedra near-field corrections revisited
Phys. Rev. B 84, 205106 (2011).
18. Aftab Alam and D D Johnson
Chemically Mediated Quantum criticality in NbFe2
Phys. Rev. Lett. 107, 206401 (2011).
17. Aftab Alam, S.N. Khan, B.G. Wilson and D. D. Johnson
Efficient isoparametric integration over Complex Voronoi Polyhedra for Electronic Structure Calculations
Phys. Rev. B 84, 045105 (2011).
16. B. G. Wilson, D.D. Johnson, and Aftab Alam
Multi-center electronic structure calculations for plasma equation of state
High Energy Density Physics 7, 61-70 (2011).
15. Aftab Alam, Rajiv Kumar Chouhan and Abhijit Mookerjee
Phonon modes and vibrational entropy of disordered alloys with short-range order: A first-principles calculation
Phys. Rev. B 83, 054201 (2011).
14. Aftab Alam, Brent Kraczek and D. D. Johnson
Structural, Magnetic and Defect Properties of Co-Pt-type Magnetic-Storage Alloys: density-functional theory study of thermal processing effects
Phys. Rev. B 82, 024435 (2010).
Chosen as focused article of frontier research in Virtual journal of nanoscale Science & Technology, Vol. 22, Issue 7 (2010).
13. Aftab Alam and Abhijit Mookerjee
Ab-initio electronic structure calculation of disorder ternary alloys : A reciprocal space formulation
Phys. Rev. B 81, 184205 (2010).
12. Aftab Alam, T. Saha-Dasgupta and Abhijit Mookerjee
Ab-initio augmented space recursion to study complex multicomponent materials: Application to the pseudo-binary alloy (Ni,Pt)Al
Phys. Rev. B 81, 054201 (2010).
11. Aftab Alam and D. D. Johnson
Optimal site-centered electronic-structure basis set from a displaced-center expansion: Improved results via a priori estimates of saddle-points in the density
Phys. Rev. B 80, 125123 (2009).
10. Aftab Alam and Abhijit Mookerjee
An augmented space approach to the study of random ternary alloys: I. Electronic structure with uncorrelated disorder and short range ordering
J. Phys. : Condens Matter 21, 195503 (2009).
9. Aftab Alam, T. Saha-Dasgupta, A. Mookerjee, A. Chakrabarty and G.P. Das
Electronic structure and phase stability of disordered hexagonal closed packed alloys
Phys. Rev. B 75, 134203 (2007).
8. Aftab Alam, Subhradip Ghosh and Abhijit Mookerjee
Phonons in disordered alloys : Comparison between augmented-space-based approximations for configuration averaging to integration from first principles
Phys. Rev. B 75, 134202 (2007).
7. Aftab Alam and Abhijit Mookerjee
Lattice thermal conductivity of disordered NiPd and NiPt alloys : A numerical study
J. Phys. : Condens Matter 18, 4589-4608 (2006).
6. Kartick Tarafder, Kamal K. Saha, Aftab Alam and Abhijit Mookerjee
Response functions in disordered alloys : an approach via the augmented space recursion
Journal of Physics : conference series 29, 27 (2006).
5. Aftab Alam and Abhijit Mookerjee
Thermal transport and diffusivity in random alloys
Proceedings of the DAE Solid State Physics Symposium Vol. 50 679-680 (2005).
4. Aftab Alam and Abhijit Mookerjee
Lattice thermal conductivity of disordered binary alloys
Phys. Rev. B 72, 214207 (2005).
3. Aftab Alam and Abhijit Mookerjee
Inelastic neutron scattering in random binary alloys : An augmented space approach
Phys. Rev. B 71, 094210 (2005).
2. Aftab Alam and Abhijit Mookerjee
Phonons in disordered alloys
Proceedings of the DAE Solid State Physics Symposium Vol. 49 590-591 (2004).
1. Aftab Alam and Abhijit Mookerjee
Vibrational properties of phonons in random binary alloys : An augmented space recursive technique in k-space representation