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Datta, Soumendu ; Kabir, Mukul ; Saha-Dasgupta, Tanusri (2011) Ab initio study of structural stability of small 3d late transition metal clusters: interplay of magnetization and hybridization Physical Review B: Condensed Matter and Materials Physics, 84 (7). 075429_1-075429_8. ISSN 1098-0121

Chatterjee, Swastika ; Bhattacharyya, Sirshendu ; Sengupta, Surajit ; Saha-Dasgupta, Tanusri (2011) Crossover of cation partitioning in olivines: a combination of ab initio and Monte Carlo study Physics and Chemistry of Minerals, 38 (4). pp. 259-265. ISSN 0342-1791

Chatterjee, S. ; Saha-Dasgupta, T. (2011) Electronic and magnetic structure of the mixed-valence cobaltite CaBaCo₄O₇ Physical Review B: Condensed Matter and Materials Physics, 84 (8). 085116_1-085116_6. ISSN 1098-0121

Baidya, Santu ; Saha-Dasgupta, T. (2011) Electronic structure and phonons in La₂CoMnO₆: a ferromagnetic insulator driven by Coulomb-assisted spin-orbit coupling Physical Review B: Condensed Matter and Materials Physics, 84 (3). 035131_1-035131_5. ISSN 1098-0121

Datta, Soumendu ; Kabir, Mukul ; Mookerjee, Abhijit ; Saha-Dasgupta, Tanusri (2011) Engineering the magnetic properties of the Mn₁₃ cluster by doping Physical Review B: Condensed Matter and Materials Physics, 83 (7). 075425_1-075425_7. ISSN 1098-0121

Jakobi, E. ; Kanungo, S. ; Sarkar, S. ; Schmitt, S. ; Saha-Dasgupta, T. (2011) LDA+DMFT study of Ru-based perovskite SrRuO₃ and CaRuO₃ Physical Review B: Condensed Matter and Materials Physics, 83 (4). 041103_1-041103_4. ISSN 1098-0121

Jeschke, Harald ; Opahle, Ingo ; Kandpal, Hem ; Valenti, Roser ; Das, Hena ; Saha-Dasgupta, Tanusri ; Janson, Oleg ; Rosner, Helge ; Brühl, Andreas ; Wolf, Bernd ; Lang, Michael ; Richter, Johannes ; Hu, Shijie ; Wang, Xiaoqun ; Peters, Robert ; Pruschke, Thomas ; Honecker, Andreas (2011) Multistep approach to microscopic models for frustrated quantum magnets: the case of the natural mineral azurite Physical Review Letters, 106 (21). 217201_1-217201_5. ISSN 0031-9007

Das, Hena ; Sanyal, Prabuddha ; Saha-Dasgupta, T. ; Sarma, D. D. (2011) Origin of magnetism and trend in T_c in Cr-based double perovskites: interplay of two driving mechanisms Physical Review B: Condensed Matter and Materials Physics, 83 (10). 104418_1-104418_5. ISSN 1098-0121

Das, Hena ; Waghmare, Umesh V. ; Saha-Dasgupta, Tanusri (2011) Piezoelectrics by design: a route through short-period Perovskite superlattices Journal of Applied Physics, 109 (6). 066107_1-066107_3. ISSN 0021-8979

Kanungo, Sudipta ; Saha-Dasgupta, T. (2011) Pressure-driven changes in electronic structure of BiCoO₃ Physical Review B: Condensed Matter and Materials Physics, 83 (10). 104104_1-104104_6. ISSN 1098-0121

Sarkar, Soumyajit ; Tarafder, Kartick ; Oppeneer, Peter M. ; Saha-Dasgupta, Tanusri (2011) Spin-crossover in cyanide-based bimetallic coordination polymers-insight from first-principles calculations Journal of Materials Chemistry, 21 (36). pp. 13832-13840. ISSN 0959-9428

Baidya, Santu ; Sanyal, Prabuddha ; Das, Hena ; Roessli, Bertrand ; Chatterji, Tapan ; Saha-Dasgupta, T. (2011) Understanding neutron scattering data in YMn₂O₅: an effective spin Hamiltonian Physical Review B: Condensed Matter and Materials Physics, 84 (5). 054444_1-054444_9. ISSN 1098-0121

Lupi, S. ; Baldassarre, L. ; Mansart, B. ; Perucchi, A. ; Barinov, A. ; Dudin, P. ; Papalazarou, E. ; Rodolakis, F. ; Rueff, J. P. ; Itié, J. P. ; Ravy, S. ; Nicoletti, D. ; Postorino, P. ; Hansmann, P. ; Parragh, N. ; Toschi, A. ; Saha-Dasgupta, T. ; Andersen, O. K. ; Sangiovanni, G. ; Held, K. ; Marsi, M. (2010) A microscopic view on the Mott transition in chromium-doped V₂O₃ Nature Communications, 1 (8). p. 105.

Lahiri, Debdutta ; Shibata, T. ; Chattopadhyay, S. ; Kanungo, Sudipta ; Saha-Dasgupta, T. ; Singh, R. S. ; Sharma, Surinder M. ; Maiti, Kalobaran (2010) Evidence of active role played by the nonmagnetic element Sr in magnetostructural coupling in SrRuO₃ Physical Review B: Condensed Matter and Materials Physics, 82 (9). 094440_1-094440_6. ISSN 1098-0121

Das, Hena ; Spaldin, Nicola A. ; Waghmare, Umesh V. ; Saha-Dasgupta, T. (2010) Chemical control of polar behavior in bicomponent short-period superlattices Physical Review B: Condensed Matter and Materials Physics, 81 (23). 235112_1-235112_7. ISSN 1098-0121

Alam, Aftab ; Saha-Dasgupta, T. ; Mookerjee, Abhijit (2010) Ab initio augmented space recursion to study complex multicomponent materials: application to the pseudobinary alloy Ni_1-xPt_xAl Physical Review B: Condensed Matter and Materials Physics, 81 (5). 054201_1-054201_13. ISSN 1098-0121

Sarkar, Soumyajit ; Kanungo, Sudipta ; Saha-Dasgupta, T. (2010) Ab initio study of low-dimensional quantum spin systems Sr₃NiPtO₆, Sr₃CuPtO₆, and Sr₃NiIrO₆ Physical Review B: Condensed Matter and Materials Physics, 82 (23). 235122_1-235122_9. ISSN 1098-0121

Sarkar, S. ; Maitra, T. ; Valenti, Roser ; Saha-Dasgupta, T. (2010) Comparative study of FeCr₂S₄ and FeSc₂S₄: spinels with orbitally active A site Physical Review B: Condensed Matter and Materials Physics, 82 (4). 041105. ISSN 1098-0121

Clay, R. T. ; Li, H. ; Sarkar, S. ; Mazumdar, S. ; Saha-Dasgupta, T. (2010) Cooperative orbital ordering and Peierls instability in the checkerboard lattice with doubly degenerate orbitals Physical Review B: Condensed Matter and Materials Physics, 82 (3). 035108_1-035108_7. ISSN 1098-0121

Chatterjee, Swastika ; Saha-Dasgupta, Tanusri (2010) First-principles simulations of structural, electronic, and magnetic properties of vacancy-bearing Fe silicates Physical Review B: Condensed Matter and Materials Physics, 81 (15). 155105_1-155105_7. ISSN 1098-0121

Rodolakis, F. ; Hansmann, P. ; Rueff, J.-P. ; Toschi, A. ; Haverkort, M. W. ; Sangiovanni, G. ; Tanaka, A. ; Saha-Dasgupta, T. ; Andersen, O. K. ; Held, K. ; Sikora, M. ; Alliot, I. ; Itié, J. P. ; Baudelet, F. ; Wzietek, P. ; Metcalf, P. ; Marsi, M. (2010) Inequivalent routes across the Mott transition in V₂O₃ explored by X-ray absorption Physical Review Letters, 104 (4). 047401_1-047401_4. ISSN 0031-9007

Datta, Soumendu ; Kabir, Mukul ; Saha-Dasgupta, Tanusri ; Sarma, D. D. (2009) Study of structural stability and electronic structure of nonstoichiometric CdS nano clusters from first principles Journal of Nanoscience and Nanotechnology, 9 (9). pp. 5489-5492. ISSN 1533-4880

Rahaman, Moshiour ; Ganguly, Shreemoyee ; Samal, Prasanjit ; Harbola, Manoj Kumar ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit (2009) A local-density approximation for the exchange energy functional for excited states: the band-gap problem Physica B: Condensed Matter, 404 (8-11). pp. 1137-1142. ISSN 0921-4526

Das, Hena ; Waghmare, Umesh V. ; Saha-Dasgupta, T. ; Sarma, D. D. (2009) Theoretical evidence and chemical origin of the magnetism-dependent electrostructural coupling in La₂NiMnO₆ Physical Review B: Condensed Matter and Materials Physics, 79 (14). 144403_1-144403_5. ISSN 1098-0121

Chatterjee, Swastika ; Sengupta, Surajit ; Saha-Dasgupta, Tanusri ; Chatterjee, Koustav ; Mandal, Nibir (2009) Site preference of Fe atoms in FeMgSiO₄ and FeMg(SiO₃)₂ studied by density functional calculations Physical Review B, 79 (11). 115103_1-115103_8. ISSN 1098-0121

Sarkar, Soumyajit ; De Raychaudhury, Molly ; Saha-Dasgupta, T. (2009) Density-functional study of the electronic and optical properties of the spinel compound CuIr₂S₄ Physical Review B: Condensed Matter and Materials Physics, 79 (11). 113104_1-113104_4. ISSN 1098-0121

Ikeda, M. ; Yoshida, T. ; Fujimori, A. ; Kubota, M. ; Ono, K. ; Das, Hena ; Saha-Dasgupta, T. ; Unozawa, K. ; Kaga, Y. ; Sasagawa, T. ; Takagi, H. (2009) Effects of chemical pressure on the Fermi surface and band dispersion of the electron-doped high-T_c superconductors Physical Review B: Condensed Matter and Materials Physics, 80 (1). 014510_1-014510_6. ISSN 1098-0121

Sarkar, Soumyajit ; De Raychaudhury, Molly ; Dasgupta, I. ; Saha-Dasgupta, T. (2009) Electronic structure of FeCr₂S₄: evidence of Coulomb enhanced spin-orbit splitting Physical Review B: Condensed Matter and Materials Physics, 80 (20). 201101_1-201101_4. ISSN 1098-0121

Das, Hena ; Saha-Dasgupta, Tanusri (2009) Electronic structure of La₂CuO₄ in the T and T' crystal structures using dynamical mean field theory Physical Review B: Condensed Matter and Materials Physics, 79 (13). 134522_1-134522_5. ISSN 1098-0121

Glawion, S. ; Scholz, M. R. ; Zhang, Y. Z. ; Valenti, R. ; Saha-Dasgupta, T. ; Klemm, M. ; Hemberger, J. ; Horn, S. ; Sing, M. ; Claessen, R. (2009) Electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl: a multiorbital Mott insulator Physical Review B: Condensed Matter and Materials Physics, 80 (15). 155119_1-155119_6. ISSN 1098-0121

Sanyal, Prabuddha ; Das, Hena ; Saha-Dasgupta, T. (2009) Evidence of kinetic-energy-driven antiferromagnetism in double perovskites: a first-principles study of La-doped Sr₂FeMoO₆ Physical Review B: Condensed Matter and Materials Physics, 80 (22). 224412_1-224412_10. ISSN 1098-0121

Aichhorn, M. ; Saha-Dasgupta, T. ; Valenti, R. ; Glawion, S. ; Sing, M. ; Claessen, R. (2009) Momentum-resolved single-particle spectral function for TiOCl from a combination of density functional and variational cluster calculations Physical Review B: Condensed Matter and Materials Physics, 80 (11). 115129_1-115129_9. ISSN 1098-0121

Sarkar, S. ; Maitra, T. ; Valenti, Roser ; Saha-Dasgupta, T. (2009) Proposed orbital ordering in MnV₂O₄ from first-principles calculations Physical Review Letters, 102 (21). 216405_1-216405_4. ISSN 0031-9007

Datta, Soumendu ; Kabir, Mukul ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit (2009) Structure, reactivity, and electronic properties of V-doped Co clusters Physical Review B: Condensed Matter and Materials Physics, 80 (8). 085418_1-085418_9. ISSN 1098-0121

Pandey, Abhishek ; Mazumdar, Chandan ; Ranganathan, R. ; De Raychaudhury, Molly ; Saha-Dasgupta, T. ; Tripathi, Saurabh ; Pandey, Dhananjai ; Dattagupta, S. (2008) Negative temperature coefficient of resistance in a crystalline compound EPL (Europhysics Letters), 84 (4). p. 47007. ISSN 0295-5075

Datta, Soumendu ; Saha-Dasgupta, Tanusri ; Sarma, D. D. (2008) Wannier function study of the relative stability of zinc-blende and wurtzite structures in the CdX (X=S, Se, Te) series Journal of Physics: Condensed Matter, 20 (44). 445217_1-445217_8. ISSN 0953-8984

Datta, S. ; Kabir, M. ; Saha-Dasgupta, T. ; Sarma, D. D. (2008) First-principles study of structural stability and electronic structure of CdS nanoclusters Journal of Physical Chemistry C, 112 (22). pp. 8206-8214. ISSN 1932-7447

Das, Hena ; Waghmare, Umesh V. ; Saha-Dasgupta, T. ; Sarma, D. D. (2008) Electronic structure, phonons, and dielectric anomaly in ferromagnetic insulating double pervoskite La₂NiMnO₆ Physical Review Letters, 100 (18). 186402_1-186402_4. ISSN 0031-9007

Saha, Swarup ; De Raychaudhury, Molly ; Saha-Dasgupta, T. (2008) Ab initio study of optical properties and magneto-optical Kerr effect in the pyrite compound CoS₂ Physical Review B: Condensed Matter and Materials Physics, 77 (15). 155428_1-155428_8. ISSN 1098-0121

Cao, J. ; Musfeldt, J. L. ; Singh, D. J. ; Rahaman, B. ; Saha-Dasgupta, T. ; Torardi, C. C. ; Sales, B. C. ; Christen, H. M. ; Swader, O. (2008) Color properties of the model spin chain materials VOHPO₄·½H₂O and (VO)₂P₂O₇: spectroscopy and electronic structure calculations Physical Review B: Condensed Matter and Materials Physics, 77 (16). 165111_1-165111_10. ISSN 1098-0121

Kent, P. R. C. ; Saha-Dasgupta, T. ; Jepsen, O. ; Andersen, O. K. ; Macridin, A. ; Maier, T. A. ; Jarrell, M. ; Schulthess, T. C. (2008) Combined density functional and dynamical cluster quantum Monte Carlo calculations of the three-band Hubbard model for hole-doped cuprate superconductors Physical Review B: Condensed Matter and Materials Physics, 78 (3). 035132_1-035132_6. ISSN 1098-0121

Das, Hena ; De Raychaudhury, Molly ; Saha-Dasgupta, T. (2008) Moderate to large magneto-optical signals in high T_c double perovskites Applied Physics Letters, 92 (20). 201912_1-201912_3. ISSN 0003-6951

Das, Hena ; Saha-Dasgupta, Tanusri ; Gros, Claudius ; Valenti, Roser (2008) Proposed low-energy model Hamiltonian for the spin-gapped system CuTe₂O₅ Physical Review B: Condensed Matter and Materials Physics, 77 (22). 224437_1-224437_8. ISSN 1098-0121

Datta, S. ; Saha-Dasgupta, T. ; Mookerjee, A. (2008) Recursive approach to study transport properties of atomic wire The European Physical Journal B - Condensed Matter and Complex Systems, 66 (1). pp. 57-65. ISSN 1434-6028

Zaharko, O. ; Gavilano, J. L. ; Strssle, Th. ; Miclea, C. F. ; Mota, A. C. ; Filinchuk, Y. ; Chernyshov, D. ; Deen, P. P. ; Rahaman, B. ; Saha-Dasgupta, T. ; Valenti, R. ; Matsushita, Y. ; Dönni, A. ; Kitazawa, H. (2008) Structural and magnetic aspects of the nanotube system Na_2-xV₃O₇ Physical Review B: Condensed Matter and Materials Physics, 78 (21). 214426_1-214426_21. ISSN 1098-0121

Jeschke, Harald O. ; Andrea Salguero, L. ; Rahaman, Badiur ; Buchsbaum, Christian ; Pashchenko, Volodymyr ; Schmidt, Martin U. ; Saha-Dasgupta, Tanusri ; Valenti, Roser (2007) Microscopic modeling of a spin crossover transition New Journal of Physics, 9 . p. 448. ISSN 1367-2630

Saha-Dasgupta, T. ; Lichtenstein, A. ; Hoinkis, M. ; Glawion, S. ; Sing, M. ; Claessen4, R. ; Valenti, R. (2007) Cluster dynamical mean-field calculations for TiOCl New Journal of Physics, 9 . p. 380. ISSN 1367-2630

Valenti, R. ; Saha-Dasgupta, T. ; Jeschke, H. O. ; Rahaman, B. ; Rosner, H. ; Lemmens, P. ; Takagi, R. ; Johnsson, M. (2007) Comparative investigation of the coupled-tetrahedra quantum spin systems Cu₂Te₂O₅X₂, X= Cl, Br and Cu₄Te₅O₁₂Cl₄ Physica C: Superconductivity, 460-462 (1). pp. 462-463. ISSN 0921-4534

Saha-Dasgupta, T. ; De Raychaudhury, Molly ; Sarma, D. D. (2007) Ferromagnetism in metallic chalcospinels CuCr₂S₄ and CuCr₂Se₄ Physical Review B: Condensed Matter and Materials Physics, 76 (5). 054441_1-054441_5. ISSN 1098-0121

Tsui, Y. ; Brühl, A. ; Removic-Langer, K. ; Pashchenko, V. ; Wolf, B. ; Donath, G. ; Pikul, A. ; Kretz, T. ; Lerner, H.-W. ; Wagner, M. ; Salguero, A. ; Saha-Dasgupta, T. ; Rahaman, B. ; Valenti, R. ; Lang, M. (2007) 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 (2). pp. 1319-1321. ISSN 0304-8853

Andrea Salguero, L. ; Jeschke, Harald O. ; Rahaman, Badiur ; Saha-Dasgupta, Tanusri ; Buchsbaum, Christian ; Schmidt, Martin U. ; Valenti, Roser (2007) Cu-based metalorganic systems: an ab initio study of the electronic structure New Journal of Physics, 9 . pp. 26-256. ISSN 1367-2630

Raychaudhury, Molly De ; Saha-Dasgupta, T. ; Sarma, D. D. (2007) Theoretical study of doped Tl₂Mn₂O₇ and Tl₂Mn₂O₇ under pressure Physical Review B: Condensed Matter and Materials Physics, 75 (1). 014443 _1-014443 _9. ISSN 1098-0121

Brühl, A. ; Wolf, B. ; Pashchenko, V. ; Anton, M. ; Gross, C. ; Assmus, W. ; Valenti, R. ; Glocke, S. ; Klümper, A. ; Saha-Dasgupta, T. ; Rahaman, B. ; Lang, M. (2007) Effects of two energy scales in weakly dimerized antiferromagnetic quantum spin chains Physical Review Letters, 99 (5). 057204_1-057204_4. ISSN 0031-9007

Rahaman, Badiur ; Saha-Dasgupta, T. (2007) Electronic structure and microscopic model of V₂GeO₄F₂-a quantum spin system with S= 1 Journal of Physics: Condensed Matter, 19 (29). 296206_1-296206_9. ISSN 0953-8984

Alam, Aftab ; Saha-Dasgupta, T. ; Mookerjee, A. ; Chakrabarti, A. ; Das, G. P. (2007) Electronic structure and phase stability of disordered hexagonal close-packed alloys Physical Review B: Condensed Matter and Materials Physics, 75 (13). 134203_1-134203_9. ISSN 1098-0121

Derakhshan, Shahab ; Cuthbert, Heather L. ; Greedan, John E. ; Rahaman, Badiur ; Saha-Dasgupta, Tanusri (2007) Electronic structures and low-dimensional magnetic properties of the ordered rocksalt oxides Na₃Cu₂SbO₆ and Na₂Cu₂TeO₆ Physical Review B: Condensed Matter and Materials Physics, 76 (10). 104403_1-104403_7. ISSN 1098-0121

Poteryaev, Alexander I. ; Tomczak, Jan M. ; Biermann, Silke ; Georges, Antoine ; Lichtenstein, Alexander I. ; Rubtsov, Alexey N. ; Saha-Dasgupta, Tanusri ; Andersen, Ole K. (2007) Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in V₂O₃ Physical Review B: Condensed Matter and Materials Physics, 76 (8). 085127_1-085127_17. ISSN 1098-0121

Rahaman, Badiur ; Jeschke, Harald O. ; Valenti, Roser ; Saha-Dasgupta, T. (2007) Microscopic model for the frustrated Cu II-spin tetrahedron-based Cu₄Te₅O₁₂X₄ (X=Cl, Br) systems Physical Review B: Condensed Matter and Materials Physics, 75 (2). 024404_1-024404_8. ISSN 1098-0121

Datta, S. ; Kabir, M. ; Ganguly, S. ; Sanyal, B. ; Saha-Dasgupta, T. ; Mookerjee, A. (2007) Structure, bonding, and magnetism of cobalt clusters from first-principles calculations Physical Review B: Condensed Matter and Materials Physics, 76 (1). 014429_1-014429_11. ISSN 1098-0121

Saha-Dasgupta, T. ; De Raychaudhury, Molly ; Sarma, D. D. (2006) Origin of ferromagnetism and its pressure and doping dependence in Tl₂Mn₂O₇ Physical Review Letters, 96 (8). 087205 _1-087205 _4. ISSN 0031-9007

Datta, S. ; Chaudhuri, D. ; Saha-Dasgupta, T. ; Sengupta, S. (2006) Electrical transport in deformed nanostrips: electrical signature of reversible mechanical failure EPL: Europhysics Letters, 73 (5). pp. 765-771. ISSN 0295-5075

Viswanatha, Ranjani ; Sapra, Sameer ; Saha-Dasgupta, Tanusri ; Sarma, D. D. (2005) Electronic structure of and quantum size effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach Physical Review B: Condensed Matter and Materials Physics, 72 (4). 045333_1-045333_10. ISSN 1098-0121

Saha-Dasgupta, T. ; Lichtenstein, A. ; Valenti, R. (2005) Correlation effects on the electronic structure of TiOCl: a NMTO+DMFT study Physical Review B: Condensed Matter and Materials Physics, 71 (15). 153108_1-153108_4. ISSN 1098-0121

Saha-Dasgupta, T. ; Popovic, Z. S. ; Satpathy, S. (2005) Density functional study of the insulating ground states in CaFeO₃ and La_⅓Sr_⅔FeO₃ compounds Physical Review B: Condensed Matter and Materials Physics, 72 (4). 045143_1-045143_4. ISSN 1098-0121

Hoinkis, M. ; Sing, M. ; Schäfer, J. ; Klemm, M. ; Horn, S. ; Benthien, H. ; Jeckelmann, E. ; Saha-Dasgupta, T. ; Pisani, L. ; Valenti, R. ; Claessen, R. (2005) Electronic structure of the spin-½ quantum magnet TiOCl Physical Review B: Condensed Matter and Materials Physics, 72 (12). 125127_1-125127_12. ISSN 1098-0121

Saha-Dasgupta, T. ; Valenti, Roser ; Capraro, F. ; Gros, C. (2005) Na₂V₃O₇: a frustrated nanotubular system with spin-½ diamond ring geometry Physical Review Letters, 95 (10). 107201_1-107201_4. ISSN 0031-9007

Lemmens, P. ; Choi, K. Y. ; Valenti, R. ; Saha-Dasgupta, T. ; Abel, E. ; Lee, Y. S. ; Chou, F. C. (2005) Spin gap formation in the quantum spin systems TiOX, X = Cl and Br New Journal of Physics, 7 . p. 74. ISSN 1367-2630

Meskine, H. ; Saha-Dasgupta, T. ; Satpathy, S. (2004) Does the self-trapped magnetic polaron exist in electron-doped manganites? Physics Review Letters, 92 (5). 056401_1-056401_4. ISSN 0031-9007

Paudyal, Durga ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit (2004) Magnetic properties of X-Pt (X = Fe,Co,Ni) alloy systems Journal of Physics: Condensed Matter, 16 (13). pp. 2317-2334. ISSN 0953-8984

Paudyal, Durga ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit (2004) Phase stability analysis in Fe-Pt and Co-Pt alloy systems: an augmented space study Journal of Physics: Condensed Matter, 16 (41). pp. 7247-7260. ISSN 0953-8984

Saha, Kamal Krishna ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit ; Dasgupta, Indra (2004) Symmetry reduction in the augmented space recursion formalism for random binary alloys Journal of Physics: Condensed Matter, 16 (8). pp. 1409-1424. ISSN 0953-8984

Saha-Dasgupta, T. ; Valenti, R. ; Rosner, H. ; Gros, C. (2004) TiOCl, an orbital-ordered system? EPL Europhysics Letters, 67 (1). pp. 63-69. ISSN 0295-5075

Andersen, O. K. ; Saha-Dasgupta, T. ; Ezhov, S. (2003) Third-generation muffin-tin orbitals Bulletin of Materials Science, 26 (1). pp. 19-26. ISSN 0250-4707

Valenti, Roser ; Saha-Dasgupta, T. ; Mila, F. (2003) Ab initio investigation of VOSeO₃: a spin gap system with coupled spin dimers Physical Review B: Condensed Matter and Materials Physics, 68 (2). 024411_1-024411_4. ISSN 1098-0121

Valenti, Roser ; Saha-Dasgupta, T. ; Gros, Claudius ; Rosner, H. (2003) Halogen-mediated exchange in the coupled-tetrahedra quantum spin systems Cu₂Te₂O₅X₂(X=Br,Cl) Physical Review B: Condensed Matter and Materials Physics, 67 (24). 245110_1-245110_5. ISSN 1098-0121

Elfimov, I. S. ; Saha-Dasgupta, T. ; Korotin, M. A. (2003) Role of c-axis pairs in V₂O₃ from the band-structure point of view Physical Review B: Condensed Matter and Materials Physics, 68 (11). 113105_1-113105_4. ISSN 1098-0121

Nguyen-Manh, D. ; Saha-Dasgupta, T. ; Andersen, O. K. (2003) Tight-binding model for carbon from the third-generation LMTO method: a study of transferability Bulletin of Materials Science, 26 (1). pp. 27-32. ISSN 0250-4707

Saha-Dasgupta, T. ; Satpathy, S. (2003) Wannier-like functions and tight-binding parametrization for the manganese bands in CaMnO₃ Journal of Physics: Condensed Matter, 15 (10). pp. 1685-1692. ISSN 0953-8984

Saha-Dasgupta, T. ; Valenti, R. (2002) Comparative study between two quantum spin systems KCuCl₃ and TlCuCl₃ EPL Europhysics Letters, 60 (2). pp. 309-315. ISSN 0295-5075

Valenti, Roser ; Saha-Dasgupta, T. (2002) Electronic and magnetic structure of CsV₂O₅ Physical Review B: Condensed Matter and Materials Physics, 65 (14). 144445_1-144445_6. ISSN 1098-0121

Mazurenko, V. V. ; Lichtenstein, A. I. ; Katsnelson, M. I. ; Dasgupta, I. ; Saha-Dasgupta, T. ; Anisimov, V. I. (2002) Nature of insulating state in NaV₂O₅ above charge-ordering transition: a cluster dynamical mean-field study Physical Review B: Condensed Matter and Materials Physics, 66 (8). 081104_1-081104_4. ISSN 1098-0121

Valenti, Roser ; Saha-Dasgupta, T. ; Gros, Claudius (2002) Nature of the spin-singlet ground state in CaCuGe₂O₆ Physical Review B: Condensed Matter and Materials Physics, 66 (5). 054426_1-054426_4. ISSN 1098-0121

Arya, A. ; Banerjee, S. ; Das, G. P. ; Dasgupta, I. ; Saha-Dasgupta, T. ; Mookerjee, A. (2001) A first-principles thermodynamic approach to ordering in Ni-Mo alloys Acta Materialia, 49 (17). pp. 3575-3587. ISSN 1359-6454

Saha-Dasgupta, T. ; Sarma, D. D. (2001) Ab initio study of disorder effects on the electronic and magnetic structure of Sr₂FeMoO₆ Physical Review B: Condensed Matter and Materials Physics, 64 (6). 064408_1-064408_6. ISSN 1098-0121

Krishnakumar, S. R. ; Saha-Dasgupta, T. ; Shanthi, N. ; Mahadevan, Priya ; Sarma, D. D. (2001) Electronic structure of and covalency driven metal-insulator transition in BaCo_1−xNi_xS₂ Physical Review B: Condensed Matter and Materials Physics, 63 (4). 045111_1-045111_12. ISSN 1098-0121

Pavarini, E. ; Dasgupta, I. ; Saha-Dasgupta, T. ; Jepsen, O. ; Andersen, O. K. (2001) Band-structure trend in hole-doped cuprates and correlation with T_cmax Physical Review Letters, 87 (4). 047003_1-047003_4. ISSN 0031-9007

Valenti, Roser ; Saha-Dasgupta, T. ; Alvarez, J. V. ; Pozgajcic, K. ; Gros, Claudius (2001) Modeling the electronic behavior of γ-LiV₂O₅: a microscopic study Physical Review Letters, 86 (23). pp. 5381-5384. ISSN 0031-9007

Sarma, D. D. ; Mahadevan, Priya ; Saha-Dasgupta, T. ; Ray, Sugata ; Kumar, Ashwani (2000) Electronic structure of Sr₂FeMoO₆ Physical Review Letters, 85 (12). pp. 2549-2552. ISSN 0031-9007

Korotin, M. A. ; Anisimov, V. I. ; Saha-Dasgupta, T. ; Dasgupta, I. (2000) Electronic structure and exchange interactions of the ladder vanadates CaV₂O₅ and MgV₂O₅ Journal of Physics: Condensed Matter, 12 (2). pp. 113-124. ISSN 0953-8984

Andersen, O. K. ; Saha-Dasgupta, T. (2000) Muffin-tin orbitals of arbitrary order Physical Review B: Condensed Matter and Materials Physics, 62 (24). R16219-R16222. ISSN 1098-0121

Sanyal, Biplab ; Biswas, Parthapratim ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit ; Huda, Ain-ul ; Choudhury, Nasreen ; Ahmed, Mesbahuddin ; Halder, Amal (1999) Electrical and magnetic properties of AuFe alloys Journal of Physics: Condensed Matter, 11 (7). pp. 1833-1846. ISSN 0953-8984

Müller, T. F. A. ; Anisimov, V. ; Rice, T. M. ; Dasgupta, I. ; Saha-Dasgupta , T. (1998) Electronic structure of ladder cuprates Physical Review B: Condensed Matter and Materials Physics, 57 (20). R12655-R12658. ISSN 1098-0121

Le Floc'h, D. ; Saha-Dasgupta, T. ; Finel, A. (1997) Rough interfaces in fcc and bcc alloys: Influence of the order of the bulk phase transition Computational Materials Science, 8 (1-2). pp. 192-198. ISSN 0927-0256

Saha, Tanusri ; Mookerjee, Abhijit (1997) Electronic structure of ternary random alloys Journal of Physics: Condensed Matter, 9 (31). pp. 6607-6618. ISSN 0953-8984

Dasgupta, Indra ; Saha-Dasgupta, Tanusri ; Mookerjee, Abhijit ; Das, Gour Prasad (1997) Study of transition metal aluminide alloys Journal of Physics: Condensed Matter, 9 (17). pp. 3529-3542. ISSN 0953-8984

Saha, Tanusri ; Mookerjee, Abhijit (1997) A phase-stability study of PdRh alloys Journal of Physics: Condensed Matter, 9 (10). pp. 2179-2186. ISSN 0953-8984

Saha, Tanusri ; Dasgupta, Indra ; Mookerjee, Abhijit (1996) Electronic structure of random binary alloys Journal of Physics: Condensed Matter, 8 (12). pp. 1979-1996. ISSN 0953-8984

Saha, Tanusri ; Mookerjee, Abhijit (1996) The effects of local lattice distortion in non-isochoric alloys: CuPd and CuBe Journal of Physics: Condensed Matter, 8 (17). pp. 2915-2928. ISSN 0953-8984

Dasgupta, Indra ; Saha, Tanusri ; Mookerjee, Abhijit (1995) Augmented-space recursive technique for the analysis of alloy phase stability in random binary alloys Physical Review B: Condensed Matter and Materials Physics, 51 (6). pp. 3413-3421. ISSN 1098-0121

Saha, Tanusri ; Dasgupta, Indra ; Mookerjee, Abhijit (1994) Augmented-space recursive method for the study of short-ranged ordering effects in binary alloys Physical Review B: Condensed Matter and Materials Physics, 50 (18). pp. 13267-13275. ISSN 1098-0121

Dasgupta, Indra ; Saha, Tanusri ; Mookerjee, Abhijit (1994) Stochastic resonances and the mobility edge in a three-dimensional tight-binding Anderson model Physical Review B: Condensed Matter and Materials Physics, 50 (7). pp. 4867-4870. ISSN 1098-0121

Saha, T. ; Dasgupta, I. ; Mookerjee, A. (1994) An augmented-space recursive technique for the calculation of electronic structure of random binary alloys Journal of Physics: Condensed Matter, 6 (17). L245-L252. ISSN 0953-8984

Saha, T. ; Mookerjee, A. (1994) A study of annealed and quenched averaging of the thermodynamic potential in a disordered system: an augmented space approach Journal of Physics: Condensed Matter, 6 (8). pp. 1529-1544. ISSN 0953-8984

Dasgupta, Indra ; Saha, Tanusri ; Mookerjee, Abhijit (1993) Analysis of stochastic resonances in a two-dimensional quantum percolation model Physical Review B: Condensed Matter and Materials Physics, 47 (6). pp. 3097-3104. ISSN 1098-0121

Dasgupta, Indra ; Saha, Tanusri ; Mookerjee, Abhijit ; Chakrabarti, B. K. (1992) Is there a delocalisation transition in a two-dimensional model for quantum percolation? Modern Physics Letters B, 6 (13). pp. 817-821. ISSN 0217-9849

Dasgupta, I. ; Saha, T. ; Mookerjee, A. (1992) Scaling of the resistance in the two-dimensional Anderson tight-binding model for disordered systems Journal of Physics: Condensed Matter, 4 (39). pp. 7865-7876. ISSN 0953-8984