Dr. G. S. Vaitheeswaran

Publications in 2014 

 

1.High-Pressure Structural Stability and Optical Properties ofScheelite-type ZrGeO4 and HfGeO4 X‑ray Phosphor Hosts

G. Shwetha, V. Kanchana, K. Ramesh Babu, G. Vaitheeswaran, M. C. Valsakumar,|J. Phys. Chem. C 2014, 118, 4325−4333

 

2.Hidden thermodynamic ground state of calcium diazenide

   Wang, H., Yao, Y., Si, Y., Wu, Z.,Vaitheeswaran, G.,Journal of Physical Chemistry CVolume 118,Pages 650-656.

 

3.Structural, vibrational, and quasiparticle band structure of 1,1-diamino-2,2-dinitroethelene from ab initio calculations

 Appalakondaiah, S., Vaitheeswaran, G., Lebègue, S.,Volume 140, Article number 014105.

 

4.Pressure induced valence change of Eu in EuFe2As2 at low temperature and high pressures probed by resonant inelastic x-ray scattering

Kumar, R.S , Zhang, Y, Thamizhavel, A, Svane, A, Vaitheeswaran, G, Kanchana, V, Xiao, Y, Chow, P, Chen, C, Zhao, Y.Applied Physics LettersVolume 104, Article number 042601.

 

5.Structural and vibrational properties of nitrogen-rich energetic material guanidinium 2-methyl-5-nitraminotetrazolate

Ramesh Babu, K., Vaitheeswaran, G,Chemical Physics LettersVolume 592, Pages 132-137.

 

6.Thermoelectric properties of marcasite and pyrite FeX2 (X = Se, Te): A first principle study

Gudelli, V.K., Kanchana, V.,Vaitheeswaran, G., Valsakumar, M.C., Mahanti, S.D.,RSC AdvancesVolume 4,  Pages 9424-9431

 

7.Structural, electronic and optical properties of novel carbonate fluorides ABCO3F (A=K, Rb, Cs; B=Ca, Sr)

Narsimha Rao, E., Appalakondaiah, S., Yedukondalu, N., Vaitheeswaran, G.Journal of Solid State ChemistryVolume 212,Pages 171-179

 

8.Structural properties of solid energetic materials: A van der waals density functional study

Vaitheeswaran, G. , Ramesh Babu, K., Yedukondalu, N., Appalakondaiah, S.Current Science,Volume 106,Pages 1219-1223

 

9.Polymorphism and thermodynamic ground state of silver fulminate studied from van der Waals density functional calculations

N. Yedukondalu and G. Vaitheeswaran Journal of Chemical Physics 140, 224705 (2014)

 

10.Phase transitions in rare earth tellurides under pressure

Petit, L , Svane, A., Lüders, M., Szotek, Z., G.Vaitheeswaran, Kanchana, V., Temmerman, W.M.Journal of Physics Condensed Matter,Volume 26, Article number 274213

 

11.High-pressure study of binary thorium compounds from first principles theory and comparisons with experiment

Kanchana, V., G.Vaitheeswaran, Svane, A, Heathman, S., Gerward, L., Staun Olsen, J.

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials.Volume 70, Pages 459-468

 

12.Structural, elastic, optical properties and quasiparticle band structure of solid cyanuric triazide

Appalakondaiah, S., G.Vaitheeswaran , Lebègue, S. Chemical Physics Letters Volume 605-606,Pages 10-15

 

 

13.Phase transitions in rare earth tellurides under pressure

Petit, L., Svane, A.b, Lüders, M., Szotek, Z., G.Vaitheeswaran, ., Kanchana, V., Temmerman, W.M.,Journal of Physics Condensed Matter,Volume 26, Issue 27, Article number 274213

 

14.Density functional study of electronic structure, elastic and optical properties of MNH2 (M=Li, Na, K, Rb)

Ramesh Babu, K., G.Vaitheeswaran ,Journal of Physics Condensed Matter ,Volume 26, Issue 23, Article number 235503

 

15.Crystal structure of Yb2CuGe6 and Yb 3Cu4Ge4 and the valency of ytterbium

Peter, S.C. , Subbarao, U., Sarkar, S., G.Vaitheeswaran, , Svane, A., Kanatzidis, M.G,  Journal of Alloys and Compounds,Volume 589,  Pages 405-411