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1

Electronic Structure, Phonons, and Dielectric Anomaly in Ferromagnetic Insulating Double Pervoskite

Das, Hena, Waghmare, Umesh V., Saha-Dasgupta, T., Sarma, D. D.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 245 KB

english, 2008

2

Copper rubidium diphosphate, Rb2Cu3(P2O7)2: synthesis, crystal structure, thermodynamic and resonant properties

Shvanskaya, Larisa, Yakubovich, Olga, Ivanova, Anna, Baidya, Santu, Saha-Dasgupta, Tanusri, Zvereva, Elena, Golovanov, Alexey, Volkova, Olga, Vasiliev, Alexander

Journal:

New Journal of Chemistry

Year:

2013

Language:

english

File:

PDF, 2.47 MB

english, 2013

3

Substantial reduction of Stone-Wales activation barrier in fullerene

Kabir, Mukul, Mukherjee, Swarnakamal, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 539 KB

english, 2011

4

Electrical and magnetic properties of AuFe alloys

Sanyal, Biplab, Biswas, Parthapratim, Saha-Dasgupta, Tanusri, Mookerjee, Abhijit, Huda, Ain-ul, Choudhury, Nasreen, Ahmed, Mesbahuddin, Halder, Amal

Journal:

Journal of Physics Condensed Matter

Year:

1999

Language:

english

File:

PDF, 207 KB

english, 1999

5

Competition between heavy fermion and Kondo interaction in isoelectronic A-site-ordered perovskites

Meyers, D., Middey, S., Cheng, J.-G., Mukherjee, Swarnakamal, Gray, B. A., Cao, Yanwei, Zhou, J.-S., Goodenough, J.B., Choi, Yongseong, Haskel, D., Freeland, J. W., Saha-Dasgupta, T., Chakhalian, J.

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 967 KB

english, 2014

6

Nature of the spin-singlet ground state in

Valentí, Roser, Saha-Dasgupta, T., Gros, Claudius

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 513 KB

english, 2002

7

Density-functional study of the electronic and optical properties of the spinel compound

Sarkar, Soumyajit, De Raychaudhury, Molly, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 249 KB

english, 2009

8

MXene

Paul, Pallavi, Chakraborty, Poulami, Das, Tilak, Nafday, Dhani, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 2.21 MB

english, 2017

9

Dynamics of Water Trapped in Transition metal oxide-Graphene Nano-confinement.

Tendong, Edwine, Saha-Dasgupta, Tanusri, Chakrabarti, Jaydeb

Journal:

Journal of Physics Condensed Matter

Year:

2020

Language:

english

File:

PDF, 4.33 MB

english, 2020

10

Electronic and optical properties of ZnIn2Te4

Biplab Ganguli, Kamal Krishna Saha, Tanusri Saha-Dasgupta, Abhijit Mookerjee, A.K. Bhattacharya

Journal:

Physica B: Condensed Matter

Year:

2004

Language:

english

File:

PDF, 295 KB

english, 2004

11

A local-density approximation for the exchange energy functional for excited states: The band-gap problem

Moshiour Rahaman, Shreemoyee Ganguly, Prasanjit Samal, Manoj Kumar Harbola, Tanusri Saha-Dasgupta, Abhijit Mookerjee

Journal:

Physica B: Condensed Matter

Year:

2009

Language:

english

File:

PDF, 268 KB

english, 2009

12

Modified 1,4-hydroquinone ligands bridging CuII ions – Building blocks for a new class of quantum magnets

Bernd Wolf, Andreas Brühl, Volodymyr Pashchenko, Katharina Removic-Langer, Tonia Kretz, Jan W. Bats, H.-Wolfram Lerner, Matthias Wagner, Andrea Salguero, Tanusri Saha-Dasgupta, Badiur Rahaman, Roser V

Journal:

Comptes Rendus Chimie

Year:

2007

Language:

english

File:

PDF, 531 KB

english, 2007

13

Field-induced phase transition in a metalorganic spin-dimer system—a potential model system to study Bose–Einstein condensation of magnons

Y. Tsui, A. Brühl, K. Removic-Langer, V. Pashchenko, B. Wolf, G. Donath, A. Pikul, T. Kretz, H.-W. Lerner, M. Wagner, A. Salguero, T. Saha-Dasgupta, B. Rahaman, R. Valenti, M. Lang

Journal:

Journal of Magnetism and Magnetic Materials

Year:

2007

Language:

english

File:

PDF, 123 KB

english, 2007

14

Comparative investigation of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X = Cl, Br and Cu4Te5O12Cl4

R. Valentí, T. Saha-Dasgupta, H.O. Jeschke, B. Rahaman, H. Rosner, P. Lemmens, R. Takagi, M. Johnsson

Journal:

Physica C: Superconductivity

Year:

2007

Language:

english

File:

PDF, 179 KB

english, 2007

15

A first-principles thermodynamic approach to ordering in Ni-Mo alloys

A. Arya, S. Banerjee, G.P. Das, I. Dasgupta, T. Saha-Dasgupta, A. Mookerjee

Journal:

Acta Materialia

Year:

2001

Language:

english

File:

PDF, 298 KB

english, 2001

16

A first-principles thermodynamic approach to ordering in binary alloys

Abhijit Mookerjee, Tanusri Saha-Dasgupta, I. Dasgupta, A. Arya, S. Banerjee, G. P. Das

Journal:

Bulletin of Materials Science

Year:

2003

Language:

english

File:

PDF, 575 KB

english, 2003

17

Tight-binding model for carbon from the third-generation LMTO method: A study of transferability

D. Nguyen-Manh, T. Saha-Dasgupta, O. K. Andersen

Journal:

Bulletin of Materials Science

Year:

2003

Language:

english

File:

PDF, 374 KB

english, 2003

18

Third-generation muffin—tin orbitals

O. K. Andersen, T. Saha-Dasgupta, S. Ezhov

Journal:

Bulletin of Materials Science

Year:

2003

Language:

english

File:

PDF, 389 KB

english, 2003

19

Crossover of cation partitioning in olivines: a combination of ab initio and Monte Carlo study

Swastika Chatterjee, Sirshendu Bhattacharyya, Surajit Sengupta, Tanusri Saha-Dasgupta

Journal:

Physics and Chemistry of Minerals

Year:

2011

Language:

english

File:

PDF, 409 KB

english, 2011

20

Recursive approach to study transport properties of atomic wire

S. Datta, T. Saha-Dasgupta, A. Mookerjee

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2008

Language:

english

File:

PDF, 340 KB

english, 2008

21

Ab initio investigation of VOSeO3: A spin gap system with coupled spin dimers

Valentí, Roser, Saha-Dasgupta, T., Mila, F.

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 392 KB

english, 2003

22

Magnetic properties of X–Pt (X = Fe,Co,Ni) alloy systems

Paudyal, Durga, Saha-Dasgupta, Tanusri, Mookerjee, Abhijit

Journal:

Journal of Physics Condensed Matter

Year:

2004

Language:

english

File:

PDF, 265 KB

english, 2004

23

Evidence of kinetic-energy-driven antiferromagnetism in double perovskites: A first-principles study of La-doped Sr_{2}FeMoO_{6}

Sanyal, Prabuddha, Das, Hena, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 350 KB

english, 2009

24

Electronic and magnetic structure of the mixed-valence cobaltite CaBaCo_{4}O_{7}

Chatterjee, S., Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 595 KB

english, 2011

25

Effects of shape and composition on the properties of CdS nanocrystals

Datta, Soumendu, Kabir, Mukul, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 566 KB

english, 2012

26

Das et al. Reply:

Das, Hena, Sangiovanni, G., Valli, A., Held, K., Saha-Dasgupta, T.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 51 KB

english, 2012

27

Rough interfaces in fcc and bcc alloys: Influence of the order of the bulk phase transition

D. Le Floc'h, T. Saha-Dasgupta, A. Finel

Journal:

Computational Materials Science

Year:

1997

Language:

english

File:

PDF, 895 KB

english, 1997

28

Muffin-tin orbitals of arbitrary order

Andersen, O. K., Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 156 KB

english, 2000

29

Proposed low-energy model Hamiltonian for the spin-gapped system

Das, Hena, Saha-Dasgupta, Tanusri, Gros, Claudius, Valentí, Roser

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 831 KB

english, 2008

30

Spectral properties of the Mott Hubbard insulator (Cr 0.011 V 0.989 ) 2 O 3 calculated by LDA+DMFT

Toschi, A, Hansmann, P, Sangiovanni, G, Saha-Dasgupta, T, Andersen, O K, Held, K

Journal:

Journal of Physics Conference Series

Year:

2010

Language:

english

File:

PDF, 423 KB

english, 2010

31

crystal structures using dynamical mean field theory

Das, Hena, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 811 KB

english, 2009

32

studied by density functional calculations

Chatterjee, Swastika, Sengupta, Surajit, Saha-Dasgupta, Tanusri, Chatterjee, Koustav, Mandal, Nibir

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 880 KB

english, 2009

33

CrSbO

Baidya, Santu, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1012 KB

english, 2012

34

Multistep Approach to Microscopic Models for Frustrated Quantum Magnets: The Case of the Natural Mineral Azurite

Jeschke, Harald, Opahle, Ingo, Kandpal, Hem, Valentí, Roser, Das, Hena, Saha-Dasgupta, Tanusri, Janson, Oleg, Rosner, Helge, Brühl, Andreas, Wolf, Bernd, Lang, Michael, Richter, Johannes, Hu, Shijie,

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 886 KB

english, 2011

35

Negative temperature coefficient of resistance in a crystalline compound

Pandey, Abhishek, Mazumdar, Chandan, Ranganathan, R., De Raychaudhury, Molly, Saha-Dasgupta, T., Tripathi, Saurabh, Pandey, Dhananjai, Dattagupta, S.

Journal:

EPL (Europhysics Letters)

Year:

2008

Language:

english

File:

PDF, 1.18 MB

english, 2008

36

Third-Generation TB-LMTO

Andersen, O. K., Arcangeli, C., Tank, R. W., Saha-Dasgupta, T., Krier, G., Jepsen, O., Dasgupta, I.

Journal:

MRS Proceedings

Year:

1997

Language:

english

File:

PDF, 1.98 MB

english, 1997

37

nickelates from first principles

Sarkar, Soumyajit, Dasgupta, I., Greenblatt, Martha, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 645 KB

english, 2011

38

: Evidence of Coulomb enhanced spin-orbit splitting

Sarkar, Soumyajit, De Raychaudhury, Molly, Dasgupta, I., Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 626 KB

english, 2009

39

Pressure-driven changes in electronic structure of BiCoO

Kanungo, Sudipta, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 625 KB

english, 2011

40

, Fe, Co, Ni)

Das, Hena, Kanungo, Sudipta, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.18 MB

english, 2012

41

Cooperative orbital ordering and Peierls instability in the checkerboard lattice with doubly degenerate orbitals

Clay, R. T., Li, H., Sarkar, S., Mazumdar, S., Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 177 KB

english, 2010

42

late transition metal clusters: Interplay of magnetization and hybridization

Datta, Soumendu, Kabir, Mukul, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 689 KB

english, 2011

43

Ab initio study of optical properties and magneto-optical Kerr effect in the pyrite compound

Saha, Swarup, De Raychaudhury, Molly, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 674 KB

english, 2008

44

First-principles simulations of structural, electronic, and magnetic properties of vacancy-bearing Fe silicates

Chatterjee, Swastika, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 389 KB

english, 2010

45

perovskites: A model study

Barone, Paolo, Kanungo, Sudipta, Picozzi, Silvia, Saha-Dasgupta, Tanusri

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 336 KB

english, 2011

46

First-principles study of CaCu3B4O12(B=Co, Rh, Ir)

Mukherjee, Swarnakamal, Sarkar, Soumyajit, Saha-Dasgupta, T.

Journal:

Journal of Materials Science

Year:

2012

Language:

english

File:

PDF, 862 KB

english, 2012

47

compounds

Saha-Dasgupta, T., Popović, Z. S., Satpathy, S.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 236 KB

english, 2005

48

Theoretical evidence and chemical origin of the magnetism-dependent electrostructural coupling in

Das, Hena, Waghmare, Umesh V., Saha-Dasgupta, T., Sarma, D. D.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 195 KB

english, 2009

49

Mn, Fe, Co, Ni) [Phys. Rev. B 86 , 054422 (2012)]

Das, Hena, Kanungo, Sudipta, Saha-Dasgupta, T.

Journal:

Physical Review B

Year:

2013

File:

PDF, 33 KB

2013

50

The role of an oxometallic complex in OH dissociation during water oxidation: a microscopic insight from DFT study

Sarkar, Soumyajit, Kabir, Mukul, Greenblatt, Martha, Saha-Dasgupta, Tanusri

Journal:

Journal of Materials Chemistry A

Year:

2013

Language:

english

File:

PDF, 563 KB

english, 2013