Books, Reviews and Journal Articles

Books and Review Articles

Books

1. Nuclear Induction (with A.K. Saha), Saha Institute of Nuclear Physics, Publishers(Calcutta, India, 1957)

2. Nuclear Quadrupole Resonance Spectroscopy (with E. L. Hahn), Academic Press, Publishers, (New York, USA, March 1958)

3. Relativistic Quantum Theory of Electrons, Harper & Row Publishers, (New York, USA, 1973) Revised Version under preparation.

Review Articles

I have published fifteen (15) review articles in the fields of electronic structures and magnetic and hyperfine properties in atomic, molecular and solid state systems, two of the most recent in the fields of high temperature superconducting systems and fullerenes being:

1. "Hartree-Fock Cluster Procedure for Study of Hyperfine Properties of Condensed Matter Systems" pages 1-28, in Electronic Properties of Solids Using Cluster Methods" Ed. T.A. Kaplan and S.D. Mahanti, Plenum Press, New York, London (1995)

2. "Location of Muonium and Hydrogen in C60 Fullerene and Associated Electronic Structure and Hyperfine Properties" Pages19-40, (with O. Donzelli and Tina Briere) in "Hyperfine Interactions Detected by Nuclear Radiations" ed. M. Rots, A. Vantomme, J. Dekostor, R. Coussement, G. Langouche in Hyperfine Interactions 97/98(1996).
 
 
 
 

Publications (Journal Articles)

I have 381 articles already published or in press and 14 submitted or under preparation. Of these, 139 representative articles (mostly recent ones) are being presented in the sixteen areas of my research interests described in Section 8 of my detailed bio-data. I have omitted my name from the list of the authors in all the publications, listing only the co-authors for each publication. In those articles where I am the only author, no author’s name is given.
 
 

I. Atomic Physics-Many-Body Perturbation Theory (Relativistic and Non-Relativistic)

1. "Theory of Origin of Hyperfine Interactions in Atomic Systems" Hyperfine Interactions 34,149(1987).

2. "First-Principles Analysis of Strength of Parity-Non-Conservation in Atomic Thallium by Relativistic Many-Body Theory" (with B.P. Das, J. Andriessen, Mina Vajed-Samii and S.N. Ray) Phys. Rev. Lett. 49,32(1982).

3. "Accurate Values of Nuclear Magnetic Moments of Francium Isotopes" (with Mina Vajid-Samii, J. Andriessen, B.P. Das, S.N. Ray and T. Lee) Phys Rev. Lett. 48, 133(1982); 49, 1466, 1800(1982).

4. "Evaluation of Magnetic Moment of 213Ra" (with S.N. Panigrahy, R.W. Dougherty, K.C. Mishra, S. Ahmad, J. Andriessen, R. Neugart, E.W. Otten and K. Wendt) Phys. Rev. A43, 2215(1991).

5. "Calculation of Hyperfine Fields in Noble Metal Atoms" (with R.W. Dougherty, S.N. Panigrahy and J. Andriessen) Phys. Rev. A. 47, 2710 (1993).

6. "Hyperfine Structure of Ca+ and Sr+ Ions-Summary of Trends in Hyperfine Interactions in the Alkaline Earth Metal Ions and Corresponding Series with Similar Electronic Structures" (with Xing Yuan, S.N. Panigrahy, R.W. Dougherty and J. Andriessen) Phys. Rev. A52, 197 (1995).

7. "Relativistic Calculations of the Hyperfine Interactions in the Excited 7 2P3/2 and 7 2P1/2 States of the Ra+ Ion" (with Xing Yuan, R. W. Dougherty and J, Andriessen) Phys. Rev. A52, 3563 (1995).

8. "Theory of Hyperfine Interactions in Potassium and Doubly Charged Scandium Ion-Trend in Systems Isoelectronic with Potassium" (with Alfred Owusu, Xing Yuan and J. Andriessen) Phys. Rev. A55, 2644(1997).

9. "Relativistic Many-Body Investigations of Hyperfine Interactions in Excited S-States of Alkali Metals – Francium and Potassium" (with Alfred Owusu, R.W. Dougherty, G. Gowri and J. Andriessen) Phys. Rev. A56, 305(1997).

10. "Hyperfine Interactions in the Excited States of the Ra+ Ion: Striking Differences from Neutral Alkali Atoms" (with Alfred Owusu, Xing Yuan, R.W. Dougherty, G. Gowri and J. Andriessen) Phys. Rev. A (Under Preparation).
 
 
 
 

II. Molecular and Cluster Physics

1. "Ab Initio Determination of 57mFe Quadrupole Moment from Mössbauer Data" (with K.J. Duff and K.C. Mishra) Phys. Rev. Lett. 46, 1611 (1981).

2. "Isomer Shifts and Hyperfine Fields in Ferrous Dihalides" (with P. Kelires, K.C. Mishra, S.K. Mishra and K.J. Duff) Phys. Rev. B32, 58 (1985)

3. "Hartree-Fock Investigations on the Structures of Sb4 Clusters" (with F. Hagelberg, N. Sahoo, K.G. Weil and K.H. Speidel) Phys Rev. A46, 6087(1992).

4. "Structure of Alkali-Antimony Clusters" (with F. Hagelberg, S. Neeser, N. Sahoo, and K.G. Weil) Phys. Rev. A50, 557(1994)

5. "Ab Initio Investigations on Sb4 Analogus Zintl Clusters" (with F. Hagelberg, Sudha Srinivas, N. Sahoo and K.G. Weil) Phys. Rev. A53, 353(1996).

6. "Electric Field Gradients in Small Antimony Based Clusters by Ab Initio Investigations" (with F. Hagelberg and K.G. Weil) Zeitschrift für Naturforschung 51a, 557,(1996).

7. "Evaluation of the 57mFe quadrupole moment from Hartree-Fock Calculations" (with F. Hagelberg) Zeitschrift für Naturforschung 53a, 358 (1998).

8. "Hartree-Fock Calculations for FeCl2 and FeBr2: The question of the 57mFe quadrupole moment" (with F. Hagelberg and K.C. Mishra) Phys. Rev. B65, 014425/1 (2002).
 
 
 
 

III. Electronic Structures and Hyperfine and Magnetic Properties of Molecular Solids

1. "Influence of Intermolecular Bonding on Nuclear Quadrupole Interaction Tensors in Solid Halogens" (with A. Coker and T. Lee) J. Chem. Phys. 66, 3903 (1977).

2. "Theory of 19F* Nuclear Quadrupole Interaction in Fluorobenzenes" (with S. Swingle Nunes, N. Sahoo and F. Hagelberg) Jour. Am. Chem. Society 115, 5145 (1993).

3. "Theory of Nuclear Quadrupole Interactions in Solid Fluoromethanes with Implanted 19F* Nuclei – Coupling of HF* and Host Molecule" (with G. Gowri, T. Biere. S. Srinivas H. S. Cho, M. Frank, W. Kreische and K. V. S. Rama Ras), Zeits. Für Naturforschung 51a, 565 (1996).

4. "Ab initio Hartree-Fock Investigation of the Structure and Hyperfine Properties of Muonium and Hydrogen in the C60 Fullerene" (with Tina Briere and O. Donzelli) Indian Journal of Physics 67 (Special Issue) 33, 35 (1993).

5. "Endohedral Model of Muonium in Fullerene (C60-Muonium) and Associated Hyperfine Interactions" (with Tina Briere and O. Donzelli) Solid State Communications 90, 663 (1994).

6. "Locations of Muonium and Hydrogen in C60 Fullerene and Associated Electronic Structure, and Hyperfine Properties" (with O. Donzelli and T. Briere) Hyperfine Interactions 97-98, 19 (1996).

7. "First-Principles Hartree-Fock Cluster Study of Electronic Structure, Binding Energies, and Nuclear Quadrupole Interactions in Solid Halogens" (with M. M. Aryal, R. H. Scheicher, C. Gaire, S. Byahut, J. Jeong, H. Lamichhani, N. Maharjan, D. D. Paudyal and D. R. Mishra) Jour. Chem. Physics (Under Preparation).

8. "First-Principles Investigations of 19F* Nuclear Quadrupole Interaction in Fourth Group Tetrafluorides" (with Hwa Suck Cho, T. Briere, S. Srinivas, C. Russell, G. Gowri, R. Pati, M. Frank, W. Kreische, K. Bonde Nielsen) Hyperfine Interactions 96, 213 (1995).
 
 
 
 

IV. Biologically Important Molecules-

Electronic Structures and Magnetic and Hyperfine Properties of Hemoglobin Derivatives, Cytochrome c and Bacterial Photosynthetic Reaction Centers

1. "Critical Appraisal of Electronic Structure of Metmyoglobin, 14N and 57Fe Hyperfine Interactions" (with S.K. Mun and Jane C. Chang)

Biochim. Biophys. Acta 490, 249(1977).

2. "Study of Proton Hyperfine Interactions in Bacterial Photosynthetic Systems-Bacteriopheophytin Cation and Anion"(with Jane C. Chang) Biochim. Biophys. Acta 502, 61(1978)

3. "Study of Variation in Properties of Ferric Porphyrins with Fifth Ligands-Magnetic Hyperfine Interactions"(with M.K. Mallick and Jane C. Chang) Jour. Chem. Phys. 68,1462(1978)

4. "Origin of Observed Changes in 14N Hyperfine Interaction Accompanying R to T Transition in Nitrosylhemoglobin" (with S.K. Mun and Jane C. Chang), Proc. Nat. Acad. Sci. (USA) 76, 4842(1979).

5. "Theory of Proton Hyperfine Interaction in High Spin Five and Six Liganded Iron and Manganese Heme Systems" (with S.K. Mun, M.K. Mallick, S.L. Mishra and Jane C. Chang) Jour. Am. Chem. Soc. 103, 5024(1981)

6. "Origin of Asymmetry in Nitrogen Hyperfine Interactions in Myoglobin" (with K.C. Mishra, S.K. Mishra and C.P. Scholes), Jour. Am. Chem. Soc. 105, 7553(1983)

7. "Electronic Structure and Hyperfine Interactions in Ubiquinone Negative Ionic Component of Reduced Bacterial Reaction Center"(with Ayodele Coker and K.C. Mishra) Federation American Chemical Society of Experimental Biophysics Proceedings 39,#6,page1802(1980)

8. "Electronic Structure of Ferricytochrome c and Associated Hyperfine Interactions" (with K.C. Mishra and S.K. Mishra) Jour. Am. Chem. Soc. 105, 7729(1983).

9. "g Tensor in Low Spin Heme Systems Using Molecular Orbital Theory-Ferricytochrome c and Nitrosylhemoglobin" (with K.C. Mishra, S.K. Mishra, J. N. Roy and S. Ahmad), Jour. Am. Chem. Soc. 107, 7898(1985).

10. "Variational Theory for g Tensor in Electron Paramagnetic Resonance Experiments. Application to Ferricytochrome c and Azidomyoglobin"(with J.N. Roy, K.C. Mishra and S.K. Mishra) Jour. Phys. Chem. 93,194(1989).

11. "Theory of Orbital Contributions to Magnetic Hyperfine Field in Hemoglobin Derivatives-Application to Azidomyoglobin"(with J.N. Roy, S.K. Mishra and K.C. Mishra), Jour. Chem. Phys.90, 7273(1989).

12. "Investigation of Electron Distribution and Hyperfine Properties of Hemin by First-Principles Hartree-Fock Self-Consistent Field Procedure" (with N. Sahoo and K. Ramani Lata) Theo. Chim. Acta 82, 285(1992).

13. "Theory of Electronic Structure and Properties of Five-Liganded Heme Compounds Measured by Magnetic Resonance and Mössbauer Techniques " (with Minakhi Pujari, K. Ramani Lata and N. Sahoo) Jour. Am. Chemical Society (Under Preparation).

14. "Theory of Electronic Structure and Properties of Deoxy Hemoglobin Measured by Magnetic Resonance and Mössbauer Methods" (with K. Ramani Lata, C. Gaire, R. H. Scheicher and N. Sahoo) Jour. Am. Chemical Society (Under Preparation).

15. "First-Principles Investigation of Structural Differences between Relaxed and Tense Forms of Nitrosylhemoglobin" (with Minakhi Pujari and N. Sahoo) Jour. Am. Chemical Society (Under Preparation).

16. "First-Principle Determination of Muon and Muonium Trapping Sites in Horse Heart Cytochrome c and Investigation of Magnetic Hyperfine Properties" (with D. Cammarere, R. H. Scheicher, N. Sahoo and K. Nagamine) Physica B 289-290, 636 (2000).

17. "Theoretical Study of Trapping Sites for Muon and Muonium in the Heme Group of Cytochrome c and Associated Shifts in Muon Spin Rotation Frequencies" (with D. Cammarere, R. H. Scheicher, T. M. Briere, N. Sahoo, F. L. Pratt and K. Nagamine) Hyperfine Interactions 136/137, 759 (2001).

18. "First-Principles Theory of Muon and Muonium Trapping in the Protein Chain of Cytochrome c and Associated Hyperfine Interactions" (with R. H. Scheicher, D. Cammarere, T. M. Briere, N. Sahoo, F. L. Pratt and K. Nagamine) Hyperfine Interactions 136/137, 755 (2001).

19. "Theory of 14N and 17O Nuclear Quadrupole Interactions in Polyglycine and Glycine in the Protein Chain of Cytochrome c" (with R. H. Scheicher, D. Cammarere, N. Sahoo and K. Nagamine) Z. Naturforsch. 57a, 523 (2002).

20. "Theory of 14N and 17O Nuclear Quadrupole Interactions in the Single Amino Acids Occurring in the Protein Chain of Cytochrome c" (with R. H. Scheicher, D. Cammarere, N. Sahoo and K. Nagamine) Z. Naturforsch. 57a, 532 (2002).

21. "First-Principles Study of Muon and Muonium Trapping in the Protein Chain of Cytochrome c" (with R. H. Scheicher, D. Cammarere, N. Sahoo, T. M. Briere, F. L. Pratt and K. Nagamine) Physica B 326, 30 (2003).
 
 
 
 

V. Study of Hyperfine Interaction Physics of Physiologically and Energetically Important Molecules

1. "First Principle Investigation of 14N Nuclear Quadrupole Interactions in RDX" (with Ranjit Pati, N. Sahoo and S. Ray) Jour. Physical Chemistry A99, 9501(1995).

2. Nitrogen Nuclear Quadrupole Interactions in RDX , b-HMX and Cocaine" (with Ranjit Pati, N. Sahoo and S.N. Ray) Zeits für Naturforschung 52a, 241 (1997).

3. "Theoretical Investigation of Electronic Structure and Nuclear Quadrupole Interactions in b-HMX" (with Ranjit Pati, N. Sahoo and S.N. Ray) Jour. Phys. Chem. A101, 8302(1997).

4. "Investigation of Electronic Structure and Nuclear Quadrupole Interactions in Cocaine (with Ranjit Pati, N. Sahoo and S.N. Ray) Jour. Phys. Chem. A 101, 6101 (1997).

5. "Theory of Electronic Structure and Nuclear Quadrupole Interactions in Heroin" (with Ranjit Pati, N. Sahoo and T.P. Das), Jour. Phys. Chem. A 102, 3209 (1998).

6. "Investigation of Electronic Structure and Nuclear Quadrupole Interactions in Cocaine Hydrochloride" (with Ranjit Pati, N. Sahoo and S.N. Ray) Jour. Phys. Chem. (Under Preparation).
 
 
 
 

VI. Electronic Structures and Proton Hyperfine Interactions Determining Proton Relaxivities in the Presence of Contrast Agents in Magnetic Resonance Imaging

1. "Theory of Hyperfine Interactions in Aqueous Mn3+-Porphyrin Systems" (with N. Sahoo), Hyperfine Interactions 61, 1197 (1990).

2. "Hyperfine Interactions and Relaxivities in Divalent and Trivalent Aquoion Systems" (with N. Sahoo), Jour. Chem. Phys. 91, 7740 (1989).

3. "Nature of Second Hydration Shell in Mn2+-Aquoion Systems. Influence on Proton Relaxivity in Nuclear Magnetic Resonance" (with K. Ramani Lata and N. Sahoo) Jour. Chem. Phys. 94, 3715 (1991).

4. "Geometrical Arrangement of Water Molecules in Copper-Aquoion Complex-Influence on Shifts and Relaxivities in Nuclear Magnetic Resonance" (with N. Sahoo) Jour. Chem. Phys. 93, 1200 (1990).

5. "Coordination Number, Geometry and Electronic Structure of Gd3+- Aquoion Complexes-Proton Relaxivities in Magnetic Resonance Imaging(MRI)" (with C. Gaire, K. Ramani Lata, R. H. Scheicher, J. Jeong and N. Sahoo) Jour. Chemical Physics (Under Preparation).
 
 
 
 

VII. Metallic Systems and Hydrogen and Muon in Metals and Alloys

1. "Electron States in Ferromagnetic Iron, I. Band Properties", (with K.J. Duff), Phys. Rev. B3, 192(1971).

2. "Electron States in Ferromagnetic Iron, II. Wave Function Properties", (with K.J. Duff), Phys. Rev. B3, 2294(1971).

3. "Hyperfine Field in Metallic Iron: An Appraisal of the Theory", (with K.J. Duff), Phys. Rev. B12, 3870(1975).

4. "Electronic Structure of Ferromagnetic H.C.P. Cobalt I. Band Properties." (with C.M. Singal), Phys. Rev. B16, 4794(1977).

5. "Electronic Structure of Ferromagnetic H.C.P Cobalt II. Cohesive Energy and Core Exchange Splittings", (with C.M. Singal), Phys. Rev. B16, 5093(1977).

6. "Electronic Structure of Ferromagnetic H.C.P Cobalt III. Magnetic Hyperfine Field", (with B. Krawchuk and C.M. Singal), Phys. Rev. B16, 5108(1977).

7. "First Principle Theory of Transition Temperature in Ferromagnetic Metals-Application to Iron"(with G. Ciobanu, K.J. Duff, C.M. Singal and B.D. Krawchuk), Phys. Rev. B13, 4198 (1976).

8. "Hyperfine Field and Neutron Scattering in Ferromagnetic Metals", Hyperfine Interactions 6, 53 (1979).(Invited Talk at First International Conference on Muon Spin Rotation at Rorschach, Switzerland , September 1978).

9. "Theory of Nuclear Quadrupole Interaction in Cadmium Using a First Principles Pseudopotential", (with M.D. Thompson and G. Ciobanu), Phys. Rev. B19, 4328(1979).

10. "Theory of Quadrupole Interaction in the Ground State of 67Zn Nucleus in Zinc Metal", (with P.C. Pattanaik and M.D. Thompson), Phys. Rev. B19, 4326(1979).

11. "Mechanisms for Electric Field Gradients in Ferromagnetic Cubic Metals", (with B.D. Krawchuk, S.N. Ray and K.J. Duff), Hyperfine Interactions 4, 352(1978).

12. "57Fe Mössbauer Investigations on Dy0.73Tb0.27Fe2-xNix and Ho0.85Tb0.15Fe2-yNiy Systems" (with H. Senthil Kumar, K.V. Reddy and K.V.S. Rama Rao) Phys. Rev. B 52, 6542 (1995).

13. "Hydrogen Absorption and Kinetic Studies on Zr0.2Ho0.8Fe2"(with T.R. Kesavan, S. Ramaprabhu and K.V.S. Rama Rao), Jour. Alloys and Compounds 244, 164(1996).

14. "57Fe Mössbauer Investigations on the Hydrogenated Compounds of Dy0.73Tb0.27Fe1.5Co0.5" (with S. Kishore, G. Markendeyulu and K.V.S. Rama Rao) Solid State Communications 104, 735 (1997).

15. "Hydrogen Absorption Characteristics in Zr0.2Ho0.8CoFe" (withT. R. Kesavan, S. Ramaprabhu and K.V.S. Rama Rao) J. Alloys and Compounds 268, 10 (1998).
 
 
 
 

VIII. Impurities in Semiconductors-Wave Function-Dependent Properties

1. "Investigation of the Origin of Nuclear Quadrupole Hyperfine Parameters of Implanted 125Te and 129I in Semiconductors", (with M. Van Rossum, I. Dezsi, K.C. Mishra and A. Coker), Phys. Rev. B26,442(1982).

2. "Bond Lengths for Iodine Impurities in III-V Semiconductors Derived from Mössbauer Nuclear Quadrupole Data" (with M. Van Rossum, G. Langouche and K.C. Mishra), Phys. Rev. B28, 6086(1983).

3. "Self-Consistent Field Investigation of Location and Hyperfine Interaction of Muonium in Diamond" (with N. Sahoo, S.K. Mishra, K.C. Mishra, A. Coker, C. K. Mitra, L.C. Snyder and A. Glodeanu), Phys. Rev. Lett. 50, 913(1983).

4. "Identification of Anomalous Muonium in Semiconductors as a Vacancy Associated Center"(with N. Sahoo and K.C. Mishra), Phys. Rev. Lett. 55, 1506(1985).

5. "Self-Consistent Field Cluster Study of Hyperfine Properties of Normal and Anamolous Muonium in Elemental Semiconductors" (with N. Sahoo and K.C. Mishra), Hyperfine Interactions 35, 779 (1987).

6. "First-Principles Cluster Investigation of Electronic Structure and Hyperfine Interaction for Nitrogen in Diamond" (with N. Sahoo, K.C. Mishra and M. Van Rossum), Hyperfine Interactions 35, 701 (1987).

7. "Theory of Structure and Hyperfine Properties of Anomalous Muonium in Elemental Semiconductors: Diamond, Silcon and Germanium" (with N. Sahoo, S. Sulaiman and K.C. Mishra), Phys. Rev. B39, 13389(1989).

8. "Investigation of Expected Location of Muonium in Normal State in III-V Semiconductors and Muon Hyperfine Interaction" (with S.M. Mohapatra, N. Sahoo, K.C. Mishra, Tina Briere, Sudha Srinivas and F. Hagelberg), Hyperfine Intractions 79, 739 (1993).

9. "Study of the Locations of Implanted Fluorine Atoms in Silicon and Germanium Through their Nuclear Quadrupole Interactions" (with S. Swingle Nunes, S.B. Sulaiman, N. Sahoo, M. Frank and W. Kreische) Zeits f. Naturforschung 51a, 560 (1996).

10. "First-Principles Theoretical Investigation of Neutral Vacancy-Associated Muonium Center in Silicon" (with Hong Li, A. N. Usha Roy, N. Sahoo, R. Scheuermann and K. Nagamine) Physica B 289-290, 516 (2000).

11. "Locations of Implanted 19F* Atoms in Si, Ge and Diamond studied Through Their Nuclear Quadrupole Interactions" (with S. Swingle Nunes, S. B. Sulaiman, N. Sahoo, K. Bharuth Ram, M. Frank, W. Kreische and K. Bonde Nielsen) Hyperfine Interactions 120/121, 151 (1999).

12. "First-Principles Calculation of Electronics Structures and Hyperfine Interactions for Muonium Centers in ZnO" (with H. Li, T. M. Briere, K. Shimomura, R. Kadono, K. Nishiyama and K. Nagamine) Physica B 326, 133 (2003).

13. "Trapping Sites for the Implanted Fluorine Atoms in Diamond, Silicon and Germanium and Associated 19F* Nuclear Quadrupole Interaction Properties" (with S. Swingle Nunes, S.B. Sulaiman, N. Sahoo, K. Bharuth-Ram, M. Frank, W. Kreische and K. Bonde Nielsen) Phys. Rev. B (Under Preparation).
 
 
 
 

IX. Theory for Adsorbed Atoms at Semiconductor Surfaces including their Locations, Electronic Structures and Hyperfine Properties

1. "First Principles Investigation of Chemisorption of Moderately Heavy Atoms on Semiconductor Surface-Bromine on Silicon" (with S.M. Mohapatra, N. Sahoo, K.C. Mishra, B.N. Dev and W.M. Gibson), J. of Vacuum Science and Technology A4, 2441(1986).

2. "First-Principles Investigation of Location and Electronic Structure of Adsorbed Halogen Atoms on Semiconductor Surfaces" (with B.N. Dev, K.C. Mishra and W.M. Gibson), Phys. Rev. B29, 1101(1984).

3. "Investigation of Location, Electronic Structure and Associated Properties of Chalcogen Atoms Adsorbed on Silicon Surfaces-Sulfur and Selenium" (with B.N. Dev, S.M. Mohapatra, N. Sahoo, K.C. Mishra and W.M. Gibson), Phys. Rev. B38, 13335(1988).

4. "Investigation of the Electronic Structures and Associated Properties Including Hyperfine Interactions for Halogen-Adsorbed Silicon Surfaces- Fluorine Through Iodine", (with B.N. Dev, S.M. Mohapatra, K.C. Mishra and W.M. Gibson), Phys. Rev. B38, 12556(1988).

5. "First-Principles Investigation of Geometric and Electronic Structures of Aluminium Adsorbed on Silicon Surfaces", (with B.N. Dev, S.M. Mohapatra, K.C. Mishra and W.M. Gibson), Phys. Rev. B36, 2666(1987).

6. "Experimental and Theoretical Investigation of Chemisorbed Ga on Si(111)" (with T. Thundat, S.M. Mohapatra, B.N. Dev and W.M. Gibson), J. Vac. Sci. Tech. A6, 681 (1988).

7. "First-Principle Cluster Investigation of Boron-Adsorbed Si(111)Surface" (with L.Luo, N. Sahoo, G.A. Smith and W.M. Gibson), Jour. Phys. Soc. Japan 60, 3139(1991).

8. "Theory of Electronic Structures and Associated Properties of Surface -Adsorbed Semiconductor Systems", Invited Review in Special Issue on "Surface Science" of Reviews of Solid State Science, World Scientific Publishing Company, Singapore 4,873(1990)(with S.M. Mohapatra, B.N. Dev, T. Thundat, L. Luo, W.M. Gibson, K.C. Mishra and N. Sahoo).

9. "Influence of Surface Reconstruction on Electron Distributions at Semiconductor Surfaces: Nuclear Quadrupole Interaction for the In/Cd Adsorbed Atom on Si(111) Surface" (with Ranjit Pati, N. Sahoo, B.N. Dev and G. Schatz), Phys. Rev. Letters (Submitted).
 
 
 
 

X. Ionic Systems: Hartree-Fock Cluster Method for Investigation of Electronic Structures-Analysis of Hyperfine and Magnetic Properties

1. "Self-Consistent Field Cluster Study of The Origin of Hyperfine Interaction and Isomer Shift in 57mFe2O3" (with P.C. Kelires) Hyperfine Interactions 34, 285 (1987).

2. "Hartree-Fock Cluster Investigations of Electronic Structure and Nuclear Quadrupole Interaction in the Superionic Conductor Li3N", (with P.C. Kelires and K.C. Mishra), Hyperfine Interactions 34, 289 (1987).

3. "Hartree-Fock Cluster Investigation of 67Zn Nuclear Quadrupole Interaction in Zinc Oxide" (with Dale W. Mitchell, S.B. Sulaiman, N. Sahoo, W. Potzel and G.M. Kalvius) Phys. Rev. B44, 6728 (1991).

4. "First Principles Investigation of 67Zn Isomer Shifts in ZnF2 and the Chalcogenides ZnO, ZnS, ZnSe and ZnTe." (with D.W. Mitchell, W. Potzel, G.M. Kalvius, H. Karzel, W. Schiessl, M. Steiner and M. Köfferlein) Phys. Rev. B48, 16449 (1993).

5. "First-Principles Hartree-Fock-Roothaan SCF-LCAO-MO Calculations of the Co2+(Cl-)6 Cluster-Optical Spectrum", (with A.C. Beri, Ath.Trutia and M. Voda) Romanian Reports in Physics 45, 95 (1993).

6. "High-Pressure Phase Transition in ZnSe" (with M. Köfferlein, H. Karzel, W. Potzel, M. Steiner, G.M. Kalvius, D.W. Mitchell) Hyperfine Interactions 93, 1453 (1994).

7. "Lattice Dynamics and Hyperfine Interactions in ZnF2 Single Crystals" (with M. Steiner, W. Potzel, M. Köfferlein, H. Karzel, W. Schiessl, G.M. Kalvius, D.W. Mitchell, N. Sahoo, H.H. Klaus, R.D. Feigelson and G. Schmidt) Phys. Rev. B50, 13555(1994).

8. "67Zn Mössbauer Study of Nanostrucured ZnO" (with H. Karzel, G. McMahon, W. Potzel, W. Schiessl, M. Steiner, U. Hiller, G.M. Kalvius, H.Gleiter, D.W. Mitchell) Hyperfine Interactions 95, 247, (1995).

9. "Dynamic Short Range Order Observed in the Zn[Fe2]O4 Spinel by Neutron Diffraction, mSR and Mössbauer Experiments" (with W. Potzel, G.M. Kalvius, W. Schiessl, H. Karzel, M. Steiner, A, Kratzer, A. Martin, M.K. Krause, A. Schneider, I. Halevy, J. Gal, W. Schäffer, G. Will, M. Hillberg, R. Wäppling and D.W. Mitchell) Hyperfine Interactions 97/98, 373 (1996).

10. "Cooperative Two-Photon Luminescence" (with K.C. Mishra, J.K. Berkowitz, E.A. Dale, K.H. Johnson), Journal of Luminescence 46, 209 (1990). [Chosen as part of a volume of SPIE OPTICAL ENGINEERING Press’s Milestone Series of Selected Reprints on the Subject Photoluminescence in Inorganic Solids.]

11. "Ab initio Electric Field Gradients and Electron Densities at 27Al, 57Fe, and 67Zn in the Spinels ZnAl2O4 and ZnFe2O4" (with D. W. Mitchell, W. Potzel, W. Schiessl, H. Karzel, M. Steiner, M. Kofferlein, U. Hiller, G. M. Kalvius, A. Martin, W. Schaefer, G. Will, I. Halevy and J. Gal) Phys. Rev. B53, 7684 (1996).

12. "Explanation of Unusual Observed Features of Hyperfine Field in Antiferromagnetic Nickel Oxide from Muon Spin Rotation Experiments" (with G. Gowri, N. Sahoo, W. Higemoto, K. Nishiyama and K. Nagamine) Phys. Rev. B68, 014401 (2003).

13. "Theory of Nature of Hyperfine Field at Muon Site in Antiferromagnetic MnO from Muon Spin Rotation Measurements" (with G.Gowri, N. Sahoo, W. Higemoto, K. Nishiyama and K. Nagamine) Journal of Physics, Volume C (Under Preparation).
 
 
 
 

XI. Electron Distribution and Hyperfine and Magnetic Properties in High-Tc Systems

1. "Theory of Electron Distributions and 63Cu and 17O Nuclear Quadrupole Interactions in the High-Tc System YBa2Cu3O7", (with N.Sahoo, Sigrid Markert and K. Nagamine), Phys. Rev. B41, 220(1990).

2. "Theory of Electron Distributions and 63Cu and 17O Nuclear Quadrupole Interactions in YBa2Cu3O7 and YBa2Cu3O6", (with S. Sulaiman, N. Sahoo, S. Markert, J. Stein and K. Nagamine) Bulletin of Materials Science 14, 149(1991) [Proceedings of International Conference on Superconductivity, Bangalore, India, January 1990]

3. "Theory of Copper Hyperfine Interactions in La2CuO4 System", (with S.B. Sulaiman, N. Sahoo, O. Donzelli, E. Torikai and K.Nagamine) Phys. Rev. B44, 7028(1991).

4. "Theory of Nuclear Quadrupole Interactions of 135Ba and 139La in YBa2Cu3O6 and La2CuO4", (with S.B. Sulaiman, N. Sahoo and O. Donzelli), Phys. Rev. B45, 7383 (1992).

5. "Electronic Structure and Associated Hyperfine Properties of Positive Muon in La2CuO4", (with S.B. Sulaiman, Sudha Srinivas, N. Sahoo, F. Hagelberg, E. Torikai and K. Nagamine) Phys. Rev. B49, 9879(1994).

6. "Behavior of Positive Muon in High Tc Superconductor La2-xSrxCuO4", (with E. Torikai, K. Nagamine, H. Kitazawa, I. Tanaka, H. Kojima, S.B. Sulaiman and S. Srinivas), Hyperfine Interactions 78, 403(1993).

7. "Location of Negative Muon in La2CuO4 in mSR Experiments", (with Sudha Srinivas, S.B. Sulaiman, N. Sahoo, E. Torikai, K. Nishiyama and K. Nagamine) Hyperfine Interactions (C) 1, 163(1996).

8. "Interaction of Paramagnetic Electron with High Tc Supercurrent in LaSrCuO studied by m-O Probe", (with E. Torikai, K. Nagamine, K. Nishiyama, E. Hirose, P. Birrer, I. Tanaka, H. Kojima, S. Srinivas and S. Maekawa) Hyperfine Interactions 97/98, 387 (1996).

9. "Probing Interaction of Paramagnetic Electron with Conduction Electrons in High Tc Superconductor LaSrCuO by (m-O) Spin Relaxation", (with E. Torikai, K. Nagamine, K. Nishiyama, E. Hirose, Y. Ikedo, T. Ikedo, T. Hashimoto, P. Birrer, I. Tanaka, H. Kojima, S. Srinivas, S. Maekawa, K. Yamada, S. Hosoya and Y. Endoh) Hyperfine Interactions 105, 175 (1997).

10. "Theory of Hyperfine Interactions Associated with the Negative Muon in Lanthanum Copper Oxide High-Tc System", (with Sudha Srinivas, S.B. Sulaiman, N. Sahoo, E. Torikai, K. Nishiyama and K. Nagamine) Hyperfine Interactions 105, 167(1997).

11. "Evidence for Localized Moment Formation at Negative Muon Bound to Apical Oxygen in LaSrCuO" (with E. Torikai, K. Nagamine, K. Nishiyama, M. Tanabe, E. Hirose, Y. Ikedo, T. Hashimoto, I. Tanaka, H. Kojima and S. Srinivas) Phys. Rev. B (Under Preparation).
 
 
 
 

XII. Organic Ferromagnets

1. "Hartree-Fock Investigation of Muon Trapping in the Chemical Ferromagnet 4-(p-Chlorobenzylidene amino)-TEMPO" (with Junho Jeong, T. M. Briere, N. Sahoo, S. Ohira, K. Nishiyama and K. Nagamine), Physica B 289-290, 132 (2000).

2. "Ab Initio Molecular Orbital Studies of the Positive Muon and Muonium in 4-aryl methyleneamino-TEMPO Derivatives" (with T. M. Briere, J. Jeong, S. Ohira and K. Nagamine), Physica B 289-290, 128 (2000).

3. "Determination of Easy Axis in a Chemical Ferromagnet, 4-(p-Chlorobenzylideneamino)-TEMPO (TEMPO = 2,2,6,6-tetramethylpiperidin-1-oxyl) (with Junho Jeong, Tina M. Briere, N. Sahoo, Seiko Ohira, K. Nishiyama and K. Nagamine) Hyperfine Interactions 136, 769 (2001).

4. "Theoretical Investigation of Muon and Muonium Trapping and Hyperfine Interactions in the Chemical Ferromagnet p-NPNN (b-phase)" (with Junho Jeong, Tina M. Briere, N. Sahoo, Seiko Ohira, K. Nishiyama and K. Nagamine) Hyperfine Interactions 136, 763 (2001)..

5. "Theory of Nuclear Quadrupole Interactions of 14N, 17O and 35Cl Nuclei in p-Cl-Ph-CH-N=TEMPO" (with Junho Jeong, Tina M. Briere, N. Sahoo, Seiko Ohira, K. Nishiyama and K. Nagamine) Zeitschrift für Naturforschung 57a, 527 (2002).

6. "Theory of Trapping of Muon and Muonium and Hyperfine Interactions in the Organic Ferromagnet p-NPNN (b-phase) (with Junho Jeong, Tina M. Briere, S. Ohira, N. Sahoo, K. Nishiyama and K. Nagamine) Physica B 326, 563 (2003).

7. "Quantitative Test of Electronic Structures of Organic Ferromagnet Systems from First Principles Investigations Using Muon Spin Rotation Data" (with Junho Jeong, T. M. Briere, N. Sahoo, S. Ohira, K. Nishiyama and K. Nagamine) Phys. Rev. B66, 132411 (2002).

8. "Study of Muon Magnetic Hyperfine Interactions and Nuclear Quadrupole Interactions and Easy Axis in the Organic Ferromagnet p-Cl-Ph-CH=N-TEMPO" (with Junho Jeong, Tina M. Briere, S. Ohira, N. Sahoo, K. Nishiyama and K. Nagamine) Physica B 334, 335 (2003).
 
 
 
 

XIII. Muon Catalyzed Fusion

1. "Trapping of Helium in Hydrogen" (with A. N. Usha Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura and K. Nagamine), RIKEN Review 20, 21 (1999) [Focused on Scientific Outputs from RIKEN-Rutherford Appleton Laboratory Muon Facility].

2. "Theory for relative strengths of trapping of He+ ions in solid, liquid and gaseous hydrogen" (with R. H. Scheicher, A. N. U. Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine) Hyperfine Interactions 138, 387 (2001).

3. "Ab initio Investigation of Helium Bubble Formation from Trapped He+ Ions in Solid Hydrogen" (with R. H. Scheicher, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine) Hyperfine Interactions 138, 431 (2001).

4. "Theory of Isotope Effects on He+ Trapping in Solid Hydrogen" (with R. H. Scheicher, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine) Hyperfine Interactions 138, 427 (2001)..

5. "First-Principles Investigation of He+ Trapping in Hydrogen" (with R. H. Scheicher, A. N. U. Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine) J. Chem. Phys. (Submitted).

6. "Ab initio study of trapping of He+ ions in solid, liquid, and gaseous hydrogen" (with R. H. Scheicher, A. N. U. Roy, K. Ishida, T. Matsuzaki, S. N. Nakamura, N. Kawamura, K. Nagamine) RIKEN Review 48, 18 (2002) [Focused on High Performance Computing in RIKEN 2001].
 
 

XIV. Study of Structures of Silicon-Rare Earth and SiGe-Rare Earth Systems and Photoluminescence and Other Properties

1. "Hartree-Fock Cluster Investigations of Locations for Erbium in Silicon" (with C. Gaire, Junho Jeong, R. H. Scheicher, N. Sahoo, M. B. Huang, S. P. Byahut, D. R, Mishra, M. M. Aryal, N. B. Maharjan, D. D. Paudyal) (Under Preparation).
 
 

XV. Properties of Nano-Structured Materials

1. "67Zn Mössbauer Studies of Nano-Structured ZnO" (with H. Karzel, G. McMahon, W. Potzel, W. Schiessl, M. Steiner, U. Miller, G. M. Kalvius, H. Gleiter and D. W. Mitchell) Hyperfine Interactions 95, 247 (1995).

2. "Studies on the Third Harmonic Generation of Double-Layered Quantum Wires in Magnetic Fields" (with Kang-Xian Guo and Chuan-Yu Chen) Optical and Quantum Electronics 33, 231 (2001).

3. "Studies on the Electro-Optic Effects of Double-Layered Quantum Wires in Magnetic Fields" (with Kang-Xian Guo and Chuan-Yu Chen) Physica B 293, 11 (2000).
 
 

XVI. Electronic and Associated Properties of Chalcogen Semi-Metals and Glass Transitions in Chalcogen Systems

1. "Theory of the 125Te Nuclear Quadrupole Interaction and Isomer Shifts in Tellurium, Selenium and Sulfur" (with Ayodele Coker and Taesul Lee) Phys. Rev. B13, 55 (1976).

2. "Investigation of the Electronic Properties of Tellurium – Energy Band Structure" (with Ayodele Coker and Taesul Lee) Phys. Rev. B22, 2968 (1980).

3. "Investigation of the Electronic Properties of Tellurium – Nuclear Quadrupole Interaction" (with Ayodele Coker and Taesul Lee) Phys. Rev. B22, 2976 (1980).

4. "Theory of Electronic Structures of Selenium and Tellurium with and without Impurities" (with Hwa-Suck Cho, R. H. Scheicher, Junho Jeong, D. D. Paudyal, N. B Maharjan, D. R. Mishra and S. P. Byahut) (Under Preparation).
 


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