- Gargi Dutta and Umesh V. Waghmare,
Dielectric response in Ce-doped ThO2,
Physica B
403, 2197 - 2199 (2008).
- Mousumi Upadhyay Kahaly and Umesh V Waghmare,
Electronic Structure of Carbon Doped Boron Nitride Nanotubes: A First-Principles Study,
J. Nanosci. Nanotechnol.
8, 4041 (2008).
- Mousumi Upadhyay Kahaly and Umesh V. Waghmare,
Effect of curvature on structures and vibrations of zigzag carbon nanotubes: A first-principles study,
Bull. Mater. Sci.
31, 335 (2008).
- Takeshi Nishimatsu, Umesh V. Waghmare, Yoshiyuki Kawazoe and David Vanderbilt,
Fast molecular dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian,
Phys. Rev. B
78, 104104 (2008).
- Jun Hee Lee, U. V. Waghmare and J. Yu,
First-Principles Effective Hamiltonian for Ferroelectric Polarization in BaTiO3/SrTiO3 Superlattices,
J. Appl. Phys.
103, 124106 (2008).
- J. Paul, T. Nishimatsu, Y. Kawazoe and U. V. Waghmare,
A first-principles study of phase transitions in ultrathin films of BaTiO3,
Pramana
70, 264 (2008).
- Tiju Thomas, Dhananjai Pandey and Umesh V. Waghmare,
Soft modes at the stacking faults in SiC crystals: First-principles calculations,
Phys. Rev. B (Rapid Comm)
77, 121203 (2008).
- B. P. Burton, Eric Cockayne, Silvia Tinte and U. V. Waghmare,
Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in PSN,
Phys. Rev. B
77, 144114 (2008).
- Nirat Ray and U. V. Waghmare,
Coupling between magnetic ordering and structural instabilities in perovskite biferroics: A first-principles study,
Phys. Rev. B
77, 134112 (2008).
- Mousumi Upadhyay-Kahaly, S. P. Singh and U. V. Waghmare,
Carbon nanotubes with an extended line defect,
Small
4, 2209 - 2213 (2008).
- Hena Das, Umesh V. Waghmare, T. Saha-Dasgupta and D. D. Sarma,
Electronic structure, phonons, and dielectric anomaly in ferromagnetic insulating double pervoskite La2NiMnO6,
Phys. Rev. Lett.
100, 186402 (2008).
- Kalyan Raidongia, Dinesh Jagadeesan, Mousumi Upadhyay-Kahaly, U. V. Waghmare, Swapan. K. Pati, M. Eswaramoorthy and C. N. R. Rao,
Synthesis, structure and properties of homogeneous BC4N nanotubes,
J. Mater. Chem.
1, 83 - 90 (2008).
- F. R. N. Nabarro, S. Bartolucci Luyckx and U. V. Waghmare,
Slip in Tungsten Monocarbides: II A first-principles study,
Material Science and Engineering A
483, 9 (2008).
- F. R. N. Nabarro, S. Bartolucci Luyckx and U. V. Waghmare,
Slip in Tungsten Monocarbides :I. Some experimental observations,
Material Science and Engineering A
483, 139 (2008).
- A. Datta, U. V. Waghmare and U. Ramamurty,
Structure and Stacking Faults in Layered Mg-Zn-Y Alloys: A First-principles Study,
Acta Materialia
56, 2531 - 2539 (2008).
- A. Das, S. Pisana, B. Chakraborty, S. Piscanec, S. K. Saha, U. V. Waghmare, K. S. Novoselov, H. R. Krishnamurthy, A. K. Geim, A. C. Ferrari and A. K. Sood,
Monitoring dopants by Raman scattering in an electrochemically top-gated graphene transistor,
Nature Nanotechnology
3, 210 - 215 (2008).
- G. Dutta and U. V. Waghmare,
Enhanced dielectric response of ZrO2 upon Ti-doping and introduction of O-vacancies,
J. Appl. Phys.(comm)
103, 016102 (2008).
- Prasenjit Ghosh, J. Bhattacharjee and Umesh V. Waghmare,
The Origin of Stability of Helical Structure of Tellurium,
J. Phys. Chem.
112, 983 (2008).
- Raghani Pushpa, Umesh Waghmare and Shobhana Narasimhan,
Bond stiffening in small nanoclusters and its consequences for mechanical and thermal properties,
Phys. Rev. B
77, 045427 (2008).
- M. Upadhyay-Kahaly and U. V. Waghmare,
Contrast in the electronic and magnetic properties of doped carbon and boron-nitride nanotubes: A first-principles Study,
J. Phys. Chem. C
112, 3464 - 3472 (2008).
- M. Upadhyay-Kahaly, Prasenjit Ghosh, Shobhana Narasimhan and U. V. Waghmare,
Size dependence of structural, electronic, elastic and optical properties of selenium nanowires: A first-principles study,
J. Chem. Phys.
128, 044718 (2008).
- Suchismita Sanyal, U. V. Waghmare, P. R. Subramanian and M. F. X. Gigliotti,
Effect of dopants on grain boundary decohesion of Ni: a first principles Study,
Applied Physics Letters
93, 223113 (2008).
- B. P. Burton, Silvia Tinte, Eric Cockayne and U. V. Waghmare,
The effect of nearest neighbor [Pb-O] divacancy pairs on the ferroelectric-relaxor transition in nano-ordered PbSc1/2Nb1/2O3,
Integrated Ferroelectrics
101, 37 (2008).
- Jaita Paul, T. Nishimatsu, Y. Kawazoe and U. V. Waghmare,
Polarization Switching in Epitaxial Films of BaTiO3: A Molecular Dynamics Study,
Appl. Phys. Lett.
93, 242905 (2008).
- Srijan Kumar Saha, U. V Waghmare, H. R. Krishnamurthy and A. K. Sood,
Phonons in few-layer graphene and interplanar interaction: A first-principles study,
Phys. Rev. B
78, 165421 (2008).
- Umesh V. Waghmare,
Theoretical and Computational Studies of Nano-structures and Nanomaterials,
The IISc Journal (invited article)
(2008).
In Press.
- Gargi Dutta and Umesh V. Waghmare,
Enhanced dielectric response in ZrO2 with Th substitution: A first principles study,
Sol. State. Comm.
146, 495 (2008).
- Gargi Dutta and Umesh V Waghmare,
Ti-doped ThO2: a first-principles study of dielectric properties,
J. Phys. D: Applied Physics
41, 205414 (2008).
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