Puru Jena's Research Group
 Department of Physics, Virginia Commonwealth University, Richmond
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Puru Jena
Research Interests
Group Members
Publications
Gang Chen's Publications
  1.  G. Chen, Z.F. Liu, and X.G. Gong
 Eur. Phys. J. D. Volume 16, Page 33 (2001)
  2.  Siu-Pang Chan, Gang Chen, X.G. Gong, and Zhi-Feng Liu
 Phys. Rev. Lett. Volume 87, Page 205502 (2001)
  3.  G. Chen, Z.F. Liu, and X.G. Gong
 J. Chem. Phys. Volume 116, Page 1339 (2002)
  4.  Siu-Pang Chan, Gang Chen, X.G. Gong, and Zhi-Feng Liu,
 Phys. Rev. Lett. Volume 90, Page 086403 (2003)
  5.  G. Chen, Z.F. Liu, and X.G. Gong
 Phys. Rev. B Volume 67, Page 205415 (2003)
  6.  G. Chen, Z.F. Liu, and X.G. Gong
 J. Chem. Phys. Volume 120, Page 8020 (2004)
  7.  Chun Zhang, Gang Chen, Kedong Wang, Hongwei Yang, Tao Su, C.T. Chan, M.M.T. Loy, and Xudong 
Xiao
 Phys. Rev. Lett. Volume 94, Page 176104 (2005)
  8.  G. Chen, X.G. Gong, and C. T. Chan
 Phys. Rev. B Volume 72, Page 045444 (2005)
  9.  G. Chen and Y. Kawazoe
 Phys. Rev. B Volume 73, Page 125410 (2006)
Anil Kandalam's Publications:
  1. B. Kiran, Anil K. Kandalam, and P. Jena
    “Hydrogen Storage and the 18 electron rule”
    J. Chem. Phys. 124, 224703     (2006)
      
  2. Q. Sun, Anil K. Kandalam, Q. Wang, P. Jena, Y. Kawazoe, and M. Marquez
    “Effect of Au coating on the magnetic and structural properties of Fe nano-clusters for use in biomedical applications:  A density-functional theory study”
    Phys. Rev. B., 73, 134409 (2006)
      
  3. Q. Wang, Anil K. Kandalam, Q. Sun, and P. Jena
    “Ferromagnetism in Al1-xCrxN thin films by Density Functional Calculations”
    Phys. Rev. B. 73, 115411     (2006)
      
  4. B. D. Edmonds, Anil K. Kandalam, S.  N. Khanna, A. Grubisic, X. Li, I. Khanna, and K. H. Bowen
     “Structure and Stability of Con(Pyridine)m- Clusters: Absence of Metal Inserted Structures”
    J. Chem. Phys. 124, 074316     (2006)
      
  5. Anil K. Kandalam, Bijan K. Rao, and P. Jena
    “A DFT Study of Structure and Energetics of Fe-Corannulene Complex”
    J. Phys. Chem. A., 109 (41), 9220     (2005)
      
  6. C. A. Bayse, A. Jimtaisong, A. K. Kandalam, R. L. Luck, R. Pandey, and M. J. Stevens
    “Reexamination of the structure of MoO(O2)2(H2O) (hmpa), hmpa=hexamethylphosphoramide by crystallographic and theoretical means”
    Journal of Molecular Structure, 754, 96     (2005)
      
  7. Kah Chun Lau, Anil K. Kandalam, A. Costales, and Ravindra Pandey
    “Equilibrium Geometry and Electron Detachment Energies of Anionic Cr2O4, Cr2O5, and Cr2O6 Clusters”
    Chem. Phys. Lett. 393(1-3), 112 (2004)
      
  8. Anil K. Kandalam, Bijan K. Rao, P. Jena, and A. C. Lilly
    “Binding of Butadiene Molecules Mediated by Ni atom and Ni+ ion”
    J. Phys. Chem. A. 108 (24), 5234 (2004)
      
  9. Anil K. Kandalam, Bijan K. Rao, P. Jena, and Ravindra Pandey
    “Geometry and Electronic Structure of Vn(Benzene)m complexes”
    J. Chem. Phys. 120 (22), 10414 (2004)
      
  10. Aurora Costales, Anil K. Kandalam, and Ravindra Pandey
    “Theoretical Study of Neutral and Anionic Group III Nitride Clusters:  MnNn (M = Al, Ga, and In; n = 4 - 6)”
    J. Phys. Chem. B 107, 4508 (2003)
      
  11. James M. Vollmer, Anil K. Kandalam, and L. A. Curtiss
    “Lithium-Benzene Sandwich Compounds: A Quantum Chemical Study”
    J. Phys. Chem. A. 106, 9533 (2002)
      
  12. Aurora Costales, M. A. Blanco, A. M. Pendas, Anil K. Kandalam, and Ravindra Pandey “Chemical Bonding in Group III Nitrides”
    J. Am. Chem. Soc. 124, 4116 (2002)
      
  13. Anil K. Kandalam, M. A. Blanco, and Ravindra Pandey
    “Theoretical Study of AlnNn, GanNn, and InnNn (n= 4, 5, 6) Clusters”
    J. Phys. Chem. B 106, 1945 (2002)
      
  14. Aurora Costales, Anil K. Kandalam, R. Franco, and Ravindra Pandey
    “Theoretical study of Structural and Vibrational properties of (AlP)n, (AlAs)n, (GaP)n, (GaAs)n, (InP)n and (InAs)n Clusters with n=1, 2, 3”
    J. Phys. Chem. B     106, 1940 (2002)
      
  15. R. Franco, Anil K. Kandalam, R. Pandey, and U. C. Pernisz
    “Theoretical study of Structural and Electronic properties of Methyl-Silsesquioxanes”
    J. Phys. Chem. B 106, 1709 (2002)
      
  16. Anil K. Kandalam, M. A. Blanco, and Ravindra Pandey
    “Theoretical Study of Structural and Vibrational Properties of Al3N3, Ga3N3, and In3N3”
    J. Phys. Chem. B 105, 6080 (2001)
      
  17. A. Costales, A. K. Kandalam, A. M. Pendas, M. A. Blanco, J. M. Recio, and R. Pandey
    “First Principles Study of Polyatomic Clusters of AlN, GaN, and InN.2: Chemical Bonding”
    J. Phys. Chem. B 104, 4368 (2000)
      
  18. Anil K. Kandalam, Ravindra Pandey, M. A. Blanco, J. M. Recio, and J. Newsam
    “First Principles Study of Polyatomic Clusters of AlN, GaN, and InN.1: Structure, Stability, Vibrations, and Ionization”
    J. Phys. Chem. B 104, 4361 (2000)
Sa Li's Publications

  1. S. Heathman, R. G. Haire, T. Le Bihan, A. Lindbaum, M. Idiri, P. Normile, S. Li, R. Ahuja, B. Johansson, and G. H. Lander
    A new high-pressure structure in curium linked to magnetism
    Science     309, 110-113 (2005)
     

  2. Sa Li, Rajeev Ahuja, and Puru Jena
    Dehydrogenation mechanism in catalyst-activated MgH2
    Submitted to Phys. Rev. Lett. (2006)
     

  3. Sa Li, Rajeev Ahuja, and Puru Jena
    Effect of Ti and metal vacancies on the dehydrogenation of Na3AlH6
    Accepted by Phys. Rev. B (2006) 
     

  4. Sa Li, Rajeev Ahuja, and Börje Johansson
    The Elastic and Optical Properties of the High-Pressure Hydrous Phase     d-AlOOH
    Solid State Commun.     137, 101 (2006) 
     

  5. Sa Li, Rajeev Ahuja and Borje Johansson
    Pressure induced phase transitions in AmCm alloy
    Mater. Res. Soc. Symp. Proc. (2005 MRS Fall Meeting) 
     

  6. Börje Johansson , Sa Li and Rajeev Ahuja
    Theoretical study of protactinium at high pressure
    Mater. Res. Soc. Symp. Proc. (2005 MRS Fall Meeting) 
     

  7. M. Magnuson, J. -P. Palmquist, M. Mattesini, S. Li, R. Ahuja, O. Eriksson, J.Emmerlich, O. Wilhelmsson, P. Eklund, H. Högberg, L. Hultman, and U. Jansson
    Electronic structure of the MAX-phases Ti3AC2 (A=Al, Si, Ge) investigated by soft X- ray absorption and emission spectroscopies
    Phys. Rev. B     72, 245101 (2005) 
     

  8. C. Moysés Araújo, S. Li, R. Ahuja, and P. Jena       
    Vacancy Mediated Hydrogen Desorption in Sodium-Alanate
    Phys. Rev. B     72,165101 (2005) 
     

  9. Sa Li and Rajeev Ahuja
    Electronic, Elastic and Optical Properties of Y2O2S
    J. Appl. Phys.     97, 103711 (2005)
     

  10. S. Li, P. Jena, C.M. Araujo, and R. Ahuja
    Electronic Structure and Hydrogen Desorption in NaAlH4 in Materials for Hydrogen Storage—2004, edited by Michael J. Heben, Ian M. Robertson, Roland Stumpf, and Tom Vogt
    Mater. Res. Soc. Symp. Proc. 837, Warrendale, PA, 2005, N2. 
     

  11. Zhimei Sun, Sa Li, Rajeev Ahuja, and Jochen M. Schneider
    Calculated elastic properties of M2AlC
    Solid State Commun    . 129 , 589 (2004)
     

  12. Anatoly B. Belonoshko, Sa Li, Rajeev Ahuja, and Börje Johansson
    High-pressure crystal structure studies of Fe, Ru and Os
    J. Phys. Chem.     Sol. 65, 1565 (2004)
     

  13. Sa Li, Rajeev Ahuja, and Börje Johansson
    Wolframite: the post-fergusonite phase in YLiF4
    J. Phys: Condensed Matter     16, 983 (2004)
     

  14. J. -P. Palmquist, S. Li, P. O. A. Persson, J. Emmerlich, O. Wilhelmsson, H. Högberg, M.  I. Katsnelson, B. Johansson, R. Ahuja, O. Eriksson, L. Hultman, and U. Jansson
    Mn + 1AXn phases in the Ti-Si-C system studied by thin-film synthesis and  ab initio calculations
    Phys. Rev. B     70, 165401 (2004)
     

  15. P. Finkel, J. D. Hettinger, S. E. Lofland, K. Harrell, A. Ganguly, M. W. Barsoum, Z. sun, S. Li, and R. Ahuja
    Electronic, thermal, and elastic properties of Ti3Si1-xGexC2 solid solutions
    Phys. Rev. B     70 085104 (2004)
     

  16. Z. M. Sun, D. Music,  R. Ahuja,  S. Li, and J. M. Schneider
    Bonding and classification of nanolayered ternary carbides
    Phys. Rev. B     70, 092102 (2004)
     

  17. A. Grechnev, S. Li, R. Ahuja, O. Eriksson, and U. Jansson
    Layered compound Nb3SiC2 predicted from first-principles theory
    Appl. Phys. Lett.     85, 3071 (2004)  
     

  18. Zhimei Sun, Rajeev Ahuja, Sa Li, and Jochen M. Schneider
    Structure and bulk modulus of M2AlC
    Appl. Phys. Lett.     83, 899 (2003)
     

  19. Sa Li, Rajeev Ahuja, and Börje Johansson
    Crystallographic structures of PbWO4
    High Pressure Research     23 (3): 343 (2003)
     

  20. J. K. Dewhurst, R. Ahuja, S. Li, and B. Johansson
    Lattice Dynamics of Solid Xenon under Pressure
    Phys. Rev. Lett.     88, 075504 (2002)
     

  21. S. Li, R. Ahuja, and B. Johansson
    Pressure-induced phase transitions of KNbO3
    J. Phys: Condensed Matter 14, 10873 (2002)
     

  22. S. Li, R. Ahuja, and B. Johansson 
    High pressure theoretical studies of actinide dioxides
    High Pressure Research 22, 471 (2002)
     

  23. Bengt Holm, Rajeev Ahuja, Sa Li, and Borje Johansson
    Theory of the tenary layered system Ti-Al-N
    J. of Appl. Phys.     91, 9874 (2002)
     

  24. H. W. Hugosson, G. E. Grechnev, R. Ahuja, U. Helmersson, L. Sa, and O. Eriksson
    Stabilization of potential superhard RuO2 phases: A theoretical study
    Phys. Rev. B     66, 174111 (2002)