PUBLICATION (1975-2009)

BOOK CHAPTERS AND REVIEWS

  1. G.M. Bancroft, H.W. Nesbitt, V.P. Zakaznova-Herzog and J.S. Tse, Turning Points in Solid-State, Materials, and Surface Science, Chapter 39, Edited by K.D. M. Harris and P.P Edwards, published by the Royal Society of Chemistry, 2008.
  2. J.S. Tse and D.D. Klug, Phonon Spectroscopy and X-ray Scattering using Synchrotron Radiation, Physics in Canada, Sep/Oct, 2006
  3. J.S. Tse and D.D. Klug, Recent trends for the Design and Optimization of Thermoelectric Materials – A Theoretical Perspective, CRC Handbook of Thermoelectrics from Macro to Nano, ed. R.M. Rowe (2005)
  4. J.S. Tse and Y. Ma, First Principles studies of Fe in the earth core, Trends in Chemical Physics, 12, 35 (2005).
  5. J.S. Tse, Computational High Pressure Science, in High-Pressure Crystallography, edited. A. Katrusiak and P. McMillan, NATO Science Series II. Mathematics, Physics and Chemistry, Vol. 140, 179, Kluwer Academic Publishers, London (2004).
  6. J.S. Tse, Ab initio Molecular Dynamics with Density Functional Theory, Ann. Rev. Phys. Chem., 54, 249 2002.
  7. J.S. Tse and D. D. Klug. Molecular dynamics studies of high pressure transformation and structures. R. Winter and J. J. Jonas. Netherlands:Kluwer Academic. High Pressure Molecular Science , 1999.
  8. J.S. Tse and Z.Q. Li, High performance thermoelectric materials with clathrate structures, Research Trends in Chem. Phys., 9, 91, 2002.
  9. J.S. Tse, K. Uehara, Z.Q. Li, R. Rousseau and D.D. Klug, Computer Modeling of the Structures, Stabilities, and Thermoelectric Efficiency of Materials with Clathrate Structures, Key Engineering Materials, special edition, Modeling of Materials and its Applications in Advanced Technologies,227, 136 2002
  10. D.D. Klug, J.S. Tse, V. Shpakov, C.A. Tulk, I. Swainson, E.C. Svensson and C.-K. Loong, Transformations, Dynamics and Structures of Amorphous ices, New Kinds of Phase Transitions, Transformation in Disorderd Substances, V.V Brazhkin, et.al. eds. Kluwer Academic Press, Netherlands 2002
  11. J.S. Tse, Recent Advances in Synchrotron Powder Diffraction, in Chemical Application of Synchrotron Radiation, edited T.K. Sham, World Scientific, Singapore 2002.
  12. J.S. Tse, Powder and Single Crystal Diffraction with Synchrotron radiation, inCanadian Mineralogy Association of Canada, Monograph, vol.23, edited G. Henderson and D.R. Baker, 43, 2002.
  1. D.D. Klug, J.S. Tse, E.C. Svensson, I.P. Swainson and C-K. Leong, The Structure and Dynamics of Amorphous and Crystalline phases of Ices. Science and Technology of High Pressure (ed. M.H. Manghnani, W.J. Nellis, M.F. Nicol), University Press, p.118, 2000.
  2. J.S. Tse and R. Rousseau, Ab Initio Molcular Dynamics, Computational Molecular Spectroscopy, Ed. P. Jensen and P.R. Bunker, p.625, John Wiley & Sons Ltd, 2000.
  3. D.D. Klug, J.S. Tse, E.C. Svensson, I.P. Swainson and C-K. Leong, The Structure and Dynamics of Amorphous and Crystalline phases of Ices. Science and Technology of High Pressure (ed. M.H. Manghnani, W.J. Nellis, M.F. Nicol), University Press, p.118, 2000.
  4. D. D. Klug and J.S. Tse. High pressure method. In: Comprehensive Supramolecular Chemistry, edited by J.-M. Lehn, United Kingdom:Pergamon, 1996, p. 307.
  5. J.S. Tse. Molecular modelling and related techniques. In: Comprehensive Supramolecular Chemistry, edited by J.-M. Lehn, United Kingdom:Pergamon, 1996, p. 593.
  6. G. M. Bancroft and J.S. Tse. Ligand field splittings on core levels of main group compounds and metal surfaces from photoelectron spectroscopy. Comment Inorg.Chem. 5:89, 1986.

PAPERS CHOSEN TO PUBLISH INVIRTUAL JPURNAL FO SCIENCE AND TECHNOLOGY

1. Crystal, spin, and electronic structure of the superconductor LiFeAs
Zhi Li, J. S. Tse, and C. Q. Jin
Phys. Rev. B 80, 092503 (2009)
2. Effect of pressure on the iron arsenide superconductor LixFeAs (x=0.8,1.0,1.1)
S. J. Zhanget al.
Phys. Rev. B 80, 014506 (2009)
3. Mechanisms for the formation of H2 and O2 from x-ray irradiated dense ice
Yunfeng Liang and John S. Tse
Phys. Rev. B 79, 104105 (2009)
4. X-Ray Raman Spectroscopic Study of Water in the Condensed Phases
John S. Tse, Dawn M. Shaw, Dennis D. Klug, Serguei Patchkovskii, György Vankó,
Giulio Monaco, and Michael Krisch
Phys. Rev. Lett. 100, 095502 (2008)
5. First-principles investigation on the geometry and electronic structure of the three-dimensional cuboidal C60 polymer
Jianjun Yang, John S. Tse, and Toshiaki Iitaka
J. Chem. Phys. 127, 134906 (2007)
6. Giant dipole resonance of Ba in Ba8Si46: An approach for studying high-pressure induced phase transitions of nanostructured materials
H. Sternemann, C. Sternemann, J. S. Tse, S. Desgreniers, Y. Q. Cai, G. Vankó, N. Hiraoka,
A. Schacht, J. A. Soininen, and M. Tolan
Phys. Rev. B 75, 245102 (2007)
7. Hardness of nanocrystalline diamonds
John S. Tse, Dennis D. Klug, and Faming Gao
Phys. Rev. B 73, 140102 (2006)
. / 8. Graphene nanostructures as tunable storage media for molecular hydrogen
Serguei Patchkovskii, John S. Tse, Sergei N. Yurchenko, Lyuben Zhechkov, Thomas Heine,
and Gotthard Seifert
Proc. Natl. Acad. Sci. U.S.A. 102, 10439 (2005)
9. Ordering of Hydrogen Bonds in High-Pressure Low-Temperature H2O
Y. Q. Caiet al.
Phys. Rev. Lett. 94, 025502 (2005)
10. Electron-phonon coupling in high-pressure Nb
J.S. Tse, Z. Li, K. Uehara, Y. Ma, and R. Ahuja
Phys. Rev. B 69, 132101 (2004)
11. Thermodynamic stability of hydrogen clathrates
Serguei Patchkovskii and John S. Tse
Proc. Natl. Acad. Sci. U.S.A. 100, 14645 (2003)
12. Spontaneous Assembly of Perfectly Ordered Identical-Size Nanocluster Arrays
Jian-Long Li, Jin-Feng Jia, Xue-Jin Liang, Xi Liu, Jun-Zhong Wang, Qi-Kun Xue,
Zhi-Qiang Li, John S. Tse, Zhenyu Zhang, and S. B. Zhang
Phys. Rev. Lett. 88, 066101 (2002)
13. The isotope effect and orientational potentials of methane molecules in gas hydrates
Christian Gutt, Werner Press, Alfred Hüller, John S. Tse, and Helene Casalta
J. Chem. Phys. 114, 4160 (2001)

FULL LIST OF PUBLICATIONS

  1. N.J. English, J.S. Tse and C. Declan, Mechanisms for thermal conduction in various polymorphs ofmethane hydrate, Phys. Rev. B, in press.
  2. Y. Yao, J.S. Tse, and D.D. Klug, Crystal and electronic structure of superhard BC5 : First-principles structural optimizations, Phys. Rev. B, 80, 094106, 2009.
  3. Z. Li, J.S. Tse, and C.Q. Jin, Crystal, spin, and electronic structure of the superconductorLiFeAs, Phys. Rev. B, 80, 092503, 2009.
  4. J.S. Tse, Z. Song, Y. Yao, J.S. Smith, S. Desgreniers and D.D. Klug, Structure and electronic properties of BaH2 at high pressure, Solid State Comm., in press
  5. A.A.Leitch, X.Yu, C.M.Robertson, R.A.Secco, J.S.Tse and R.T.Oakley, Isostructural Bis-1,2,3-Thiaselenazolyl Dimers, Inorg. Chem., (Web): September 18, 2009
  6. G.M. Bancroft, H.W Nesbitt, R. Ho,D.M. Shaw, J.S. Tseand M.C. Biesinger,Toward a comprehensive understanding of solid-state core-level XPS linewidths: Experimental and theoretical studies on the Si 2p and O 1s linewidths insilicates, Phys. Rev B, 80, 075405, 2009.
  7. Z. Song, J. Yang, and J.S Tse,A Comparative Study on the LDA+U and Hybrid Functional Methods on the Description of the Electronic Structure of YTiO3 under High Pressure, Can. J. Chem., in press (invited paper dedicated to Prof. T. Ziegler).
  8. N.J. English and J.S. Tse, Mechanisms for thermal conduction in methane hydrate, Phys. Rev. Lett., 103, 0159012009
  9. J.S. Tse, D.D. Klug, S. Desgreniers, J. Smith, R. Dutrisac, Instability of CaLi2 at High Pressure: Theoretical Prediction and Experimental Results, Europhys. Lett., 86, 56001, 2009
  10. S.J. Zhang, X.C. Wang, R. Sammynaiken, J.S. Tse, L.X. Yang, Z. Li, Q.Q. Liu, S. Desgreniers, Y. Yao, H.Z. Liu and C.Q. Jin, The effect of pressure on “111” type iron arsenide superconductor LixFeAs (x=0.8,1.0,1.1), Phys. Rev. B, 80, 014506, 2009.
  11. Y. Yao, J.S. Tse, J. Sun, D.D. Klug, R. Martoňák and T. Iitaka, Comment on “New Metallic Carbon Crystal,Phys. Rev. Lett., 102, 229601, 2009
  12. J.S. Tse, Boron charged under Pressure, Nature, 457, 800, 2009.
  13. J.S. Smith, S. Desgreniers, D.D. Klug and J.S. Tse, Strontium hydride remains an insulator up to 113 GPa, Solid. Stat. Comm.,179, 830, 2009.
  14. Y. Liang and J.S. Tse, Mechanisms for the formation of H2 and O2 from x-ray irradiated dense ice, Phys. Rev. B, 79, 104105, 2009
  15. Y. Xu, J.S. Tse, A.R. Oganov, T. Cui, H. Wang and G. Zou, Superconducting high-pressure phase of cesium iodide,Phys. Rev. B,79, 144110, 2009.
  16. Y. Yao, J.S. Tse, and D.D. Klug, Structures of insulating phases of dense lithium, Phys. Rev. Lett., 102, 115503, 2009.
  17. Y. Yao, J. S. Tse, Z. Song, D. D. Klug, Core effects on the energetic of solid Li at high pressure, Phys. Rev. B, 79, 092103, 2009.
  18. J.S. Smith, S. Desgreniers, J.S. Tse, J. Sun, D.D. Klug and Y. Ohishi, High-pressure structures and vibrational spectra of barium fluoride: Results obtainedunder nearly hydrostatic conditions,Phys. Rev. B, 79,134104, 2009.
  19. Y.Yao,J.S.Tse,K.Tanaka,F.Marsiglio,andY.Ma, Superconductivity in Lithium, Phys. Rev. B, 79, 054524, 2009
  20. D. Courmier, D.M. Shaw, S. Patchkovskii and J.S. Tse, “A computational study on the X-ray absorption spectrum of proton-ordered crystalline Ice IX, J. Elect. Spectro. Related Phenom., (invited paper), in press.
  21. R. Flacau, S. Desgreniers and J.S. Tse, Electron Density Topology of Cubic Structure I Xe Clathrate Hydrate at High Pressure, J. Chem. Phys.,. 129, 244507, 2008.
  22. M.Y. Ge, Y.Z. Fang, W. Chen, X. Ye, E.Z. Liu, N.H. Su, K. Stahl, Y.P.Feng, J.S. Tse, T. Kikegawa, S. Nakano, Z.L. Zhang, U. Kaiser, F.M. Wu, H.-K. Mao, and J.Z. Jiang, Anomalous compressive behavior in CeO2 nanocubes under highpressure, New J. Phys.,10, 123016, 2008.
  23. Y. He, P. Sharma, K. Biswas, E.Z. Liu, N. Ohtsu, A. Inoue, Y. Inada, M. Nomura, J.S. Tse, S. Yin and J.Z. Jiang, Origin of ferromagnetism in ZnO codoped with Ga and Co:Experiment and theory, Phys. Rev. B78, 155202, 2008
  24. J.S Tse,Y Yao, D D Klug and S Desgreniers, Bonding in the -phase of high pressure oxygen,J. Phys.: Conf. Ser.121 012006 2008
  25. Y. Yao, J.S. Tse, Z. Song, D.D. Klug, F. Sun and Y. LePage, Structures and Superconducting properties of the High pressure IV and V phases of Ca, Phys. Rev. B, 78, 054506, 2008
  26. J.S. Tse and W. Holzapfel, Equation of state for diamond in wide ranges of pressure and temperature, J. Appl. Phys., .104 043525, 2008.
  27. Y. Meng, P Eng, J.S. Tse, D.M. Shaw, M. Hu, J. Shu, S. Gramsch, C.C. Kao, R.J. Hemley, H-k. Mao, Inelastic x-ray scattering of dense solid oxygen: evidence for intermolecular bonding, Proc. Natl., Acad. Sci., 105, 11640 2008.
  28. J.S. Tse, D.D. Klug, Y. Yao, and S. Desgreniers, Electronic structure of -oxygen at high pressure: GW calculations, Phys. Rev. B78, 132101, 2008
  29. H. Shimizu, N. Wada, T. Kume , Y. Yao and J.S. Tse, Pressure-induced structural transformation in solid xenon studiedby Raman spectroscopy, Phys. Rev. B, 77, 512101, 2008.
  30. Yu. A. Freiman, A.F. Goncharov, S. M. Tretyak, A. Grechnev, J.S. Tse, D. Errandonea, H-k. Mao, and R.J. Hemley, Raman scattering in hcp rare gas solids under pressure, Phys. Rev. B 78, 014301 2008
  31. C. Sternemann, H. Sternemann, S. Huotari, F. Lehmkühler, M. Tolan and J.S. Tse, The barium giant dipole resonance in barite: A study of soft x-ray absorption edges using hard x rays, J. Anal. At. Spectrom., 23, 807 2008 (Hot articles)
  32. J.S. Tse, D.M. Shaw, D.D. Klug, S.Patchkovskii, G. Vanko, M. Krisch, X-ray Raman spectroscopic study of water in the condensed phases, Phys. Rev. Lett., 100, 095502 2008.
  33. M. Eremets, I.A. Trojan, S.A. Medvedev, J.S. Tse and Y. Yao, Superconductivity in Hydrogen Dominant Materials: Silane, Science,319, 1506 2008.
  34. I. Goncharenko, M.I. Eremets, M. Hanfland, J.S. Tse , M. Amboage, Y. Yao and I.A.Trojan, Pressure-induced hydrogen-dominant metallic state in aluminum hydride, Phys. Rev. Lett., 100, 45504, 2008
  35. Y. Yao, J.S. Tse and K. Tanaka, New metastable high-pressure single-bonded phases of nitrogen from genetic algorithm, Phys. Rev. B, 77, 52103 2008.
  36. G.M. Bancroft, H.W. Nesbitt, V.P. Zakaznova-Herzog and J.S. Tse, Recent Advances in XPS of Non-conductors,Turning Points in Solid-State, Materials, and Surface Science, Chapter 39, Edited by K.D. M. Harris and P.P Edwards, published by the Royal Society of Chemistry, 2008.
  37. V.P. Zakaznova-Herzog, H.W. Nesbitt, G.M. Bancroft and J.S. Tse, Characterization of Leached Layers on Olivine and Pyroxenes using High Resolution XPS and Density Functional Calculations, Geochimica et Cosmochimica Acta,72, 69, 2008
  38. J.S. Tse, D.D. Klug, Y. Yao, Y. LePage and J.R. Rodgers, Structure and spectroscopic properties of dense solid hydrogen at 160 GPa, Solid State Comm., 145, 5, 2008.
  39. M. Volmer, C. Sternemann, J.S. Tse, T. Buslaps, N. Hiraoka ,M. Paulus, C. Bull and P.F. McMillan, Charge transfer in silicon clathrates studied by Compton scattering, Phys. Rev B, 76, 233104 2007.
  40. F. Gao, D.D. Klug and J.S. Tse, Theoretical study of new Superhard Materials: B4C3, J. Appl. Phys., 102, 084311 2007.
  41. J.J. Yang, J.S. Tse and T. Iitaka, First-principles investigation on the geometry and electronic structure of the tree-dimensional cuboidal C60 polymer, J. Chem. Phys., 127, 134906, 2007.
  42. J.S. Tse, R. Flacau, S. Desgreniers and J.Z. Jiang, Electron density topology of high-pressure Ba8Si46 from a Rietveld and maximum-entropy analysis, Phys. Rev. B, 76, 174109, 2007.
  43. D.M. Shaw, M. Odelius, J.S. Tse, Utility of High Performance Computing Facilities for the Calculation of the Theoretical X-ray Absorption Spectra of Solids, 21st International Symposium on High Performance Computing Systems and Applications,4-4, May, 2007, IEEE Computer Society.
  44. D.M. Shaw,M. Odelius andJ.S. Tse, Theoretical X-ray absorption investigation of the uniaxial compression of hexagonal graphite, Can. J. Chem.,85, 837, 2007.
  45. D.M. Shaw andJ.S. Tse , Theoretical X-ray absorption investigation of high pressure ice and compressed graphite, J. Phys. Cond. Mat.,19, 425211, 2007.
  46. J.S. Tse, Y. Yao and Y. Ma, Superconductivity in high pressure solids, J. Phys. Cond Mat.,19, 425208, 2007.
  47. J.S. Tse, Y. Song and Z. Liu, Effects of Temperature and Pressure on ZDDP, Tribiol. Lett., 28, 45 2007.

48.J.S. Smith, S. Desgreniers, J.S. Tse and D.D. Klug, High-pressure phase transition observed in barium hydride, J. Appl. Phys. 102, 043520, 2007

  1. J.S. Tseand D. Shaw, Vibrational dynamics in H+-substituted forsterite: A First Principles Molecular Dynamics, Am. Mineral., 92, 1593, 2007.
  2. J.J. Yang, J.S. Tse, Y. Yao and T. Iitaka, Structural and Electronic Properties of Pristine and Ba-doped Clathrate-like Carbon Fullerenes, Angewandte Chemie, 46, 6275, 2007.
  3. Y. Yao, J.S. Tse, Y. Ma and K. Tanaka, Superconductivity in high-pressure SiH4, Europhys. Lett.,78, 37003, 2007
  4. H. Sternemann, C. Sternemann, J.S. Tse, S. Desgreniers, Y. Q. Cai. G. Vanko, N. Hiraoka, A. Schacht, J. A. Soininen and M. Tolan, Giant dipole resonance of Ba in Ba8Si46: An approach for studying high-pressure induced phase transitions of nanostructured materials, Phys. Rev. B, 75, 245102, 2007
  5. Y. Ma and J.S. Tse, Ab initio determination of crystal lattice constants and thermal expansion for GermaniumIsotopesSolidState Comm., 143, 161, 2007
  6. J. S. Tse, D. D. Klug, S. Desgreniers, J. S. Smith, R. Flacau, Z. Liu, J. Hu, N. Chen, and D. T. Jiang, Structural phase transition in CaH2 at high pressures, Phys. Rev. B75, 134108 2007
  7. J.S. Tse, Y. Yao and K. Tanaka, Novel superconductivity in metallic SnH4 under high pressure, Phys. Rev. Lett., 98, 1170042007
  8. Y. Xie,J.S. Tse, T. Cui, A.R. Oganov, Z. He, Y. Ma, and G. Zou , Electronic and phonon instabilities in face-centered-cubic alkali metals under pressure studied using ab initio calculations. Phys. Rev. B75, 064102 2007
  9. Y. Yao and J.S. Tse,Electron Phonon Coupling in the High Pressure hcp phase of Xe: A First Principles Study, Phys. Rev. B, 75, 1341042007
  10. I. Lévesque P-O. Bertrand, N. Blouin, M. Leclerc, S. Zecchin, G. Zotti, C.I. Ratcliffe, D.D. Klug , X. Gao, F. Gao and J.S. Tse, Synthesis and thermoelectric properties of polycarbazole, polyindolocarbazole and polydiindolocarbazole derivatives, Chem. Mat., 19, 2128 2007
  11. L. Yang, Y. M. Ma, T. Iitaka, J. S. Tse, K. Stahl, Y. Ohishi, Y. Wang, R. W. Zhang, J. F. Liu, H.-K. Mao, and J. Z. Jiang,Pressure-induced phase transformations in the Ba8Si46 clathratePhys. Rev. B74, 245209, 2006
  12. J.S. Tse and D.D. Klug, Phonon Spectroscopy and X-ray Scattering using Synchrotron Radiation, Physics in Canada, Sep/Oct, 2006

61.D.D. Klug, J.S. Tse, Z. Liu and R.J. Hemley, Hydrogen-bond dynamics and Fermi resonance in high-pressure methane filled ice, J. Chem. Phys., 125, 154509, 2006

62.H. Liu, J.S. Tse and H-k. Mao,Stability of rocksalt phase of zinc oxide under strong compression: Synchrotron x-ray diffraction experiments and first-principles calculation studies, J. Appl. Phys. 100, 093509, 2006

  1. P. Heines, H-L. Keller, U. Schwarz, M. Ambruster and J.S. Tse, High Pressure Phases of Cs2[PdI4].I2 , Cs2[PBrI4].I2 and Cs2[PdCl4].I2, Inorg. Chem.,45, 9818,2006

64.J.S. Tse, T. Iitaka and K. Parlinski, Vibrational Properties and Superconductivity in Ba24Si100, Europhys. Lett., 75, 153 2006.

65.C. Sternemann, S.Huotari, M.Hakala, M.Paulus, M.Volmer, C.Gutt, T.Buslaps, N.Hiraoka, D.D. Klug, K. Hamalainen, M. Tolan and J.S. Tse, Electronic structure of methane hydrate studied by Compton scattering, Phys. Rev. B 73, 195104, 2006

  1. X. Gao, D.D. Klug and J.S. Tse, Rational design of high efficieny thermoelectric materials with low band gap conductive polymers, Comp. Mat. Sci., 36, 49 2006
  2. J.S. Tse, D.D. Klug, S. Patchkovskii and J.K. Dewhurst, Chemical bonding, electron-phonon coupling, and structural transformations in high-pressure phases of Si, J. Phys. Chem., B110, 3721, 2006
  3. J.S. Tse, D.D. Klug, and T. Iitaka, Dynamics of elemental lithium at megabar pressures, Phys. Rev. B 73, 212301, 2006
  4. J.S. Tse, D.D. Klug and F. Gao, Hardness of nanocrystalline diamonds, Phys. Rev B, 73, 140102, 2006
  5. V.V. Struzhkin, H-k Mao, J-F. Lin, R.J. Hemley, J.S. Tse, Y. Ma, M.Y. Hu, P. Chow, and C.C. Kao, Valence band x-ray emission spectra of compressed germanium, Phys. Rev. Lett. 96, 137402, 2006
  6. A.I. Krivchikov, B. Ya. Gorodilov, O. A. Korolyuk, V. G. Manzhelii, O.O. Romantsova, H. Conrad, W. Press, J.S. Tse, and D.D. Klug, Thermal conductivity of Xe clathrate hydrate at low temperatures, Phys. Rev. B73, 064203, 2006
  7. V.P. Zakaznova-Herzog, H.W. Nesbitt, G.M. Bancroft and J.S. Tse, High resolution core and valence band XPS spectra of non-conductor pyroxenes, Surface Science, 16, 3175, 2006.
  8. I. Lévesque, X. Gao, C.I. Ratcliffe, D.D. Klug, J.S. Tse, N. Blouin, J.-F. Morin, M. Leclerc, New Conjugated Polymers Derived from Carbazole as Thermoelectric Materials, Mater.Res.Soc.Symp.Proc. 871E, I9.41.1-6 (2005).
  9. I. Lévesque, X.Gao, D.D.Klug. J.S.Tse, C.I.Ratcliffe, Highly soluble poly(2,7-carbazolenevinylene) for thermoelectrical applications: from theory to experiment, Reactive and Functional Polymers, 65, 23-36 (2005).
  10. J.S. Tse and Y. Ma, First principles studies of Fe in the earth core, Trends in Chemical Physics, 12, 35, 2005.
  11. J.S. Tse, T. Iitaka, T. Kume, H. Shimizu, K. Parlinski, H. Fukuoka and S, Yamanaka, Electronic properties of Ba8Si46 Ba8AgnSi46-n and Ba8AunSi46-n, Phys. Rev. B, 72, 155441, 2005

77.V. P. Zakaznova-Herzog, H. W. Nesbitt, G. M. Bancroft, J. S. Tse, X. Gao, and W. Skinner, High-resolution valence-band XPS spectra of the nonconductors quartz and olivine, Phys. Rev. B 72, 205113, 2005

78.Y. Ma, T. Cui, L. Zhang, Y. Xie, G. Zou, J.S. Tse, X. Gao, and D.D. Klug, Electronic and crystal structures of osmium under high pressurePhys. Rev. B 72, 174103, 2005

79.J. S. Tse, D. D. Klug, J.Y. Zhao, W. Sturhahn, E.E. Alp, J. Baumert, C. Gutt, M.R. Johnson and W. Press,, Anharmonic motions of Kr in the clathrate hydrate. Nature Materials, 4, 917, 2005

  1. J.S. Tse, D.D. Klug, D.T. Jiang, C. Sternemann, M. Volmer, S. Huotari, N. Hiraoka, V. Honkimaki and K. Hamanlainen, Compton Scattering of Elemental Silicon at High Pressure, Appl. Phys. Lett., 87, 191905, 2005
  2. Y. Ma, J.S. Tse, T. Cui, D.D. Klug, L. Zhang, Y. Xie, Y. Niu, and G. Zou , First-principles study of electron-phonon coupling in hole- and electron-doped diamonds in the virtual crystal approximationPhys. Rev. B72, 014306, 2005
  3. X. Gao, K. Uehara, D.D. Klug, S. Patchkovskii, J.S. Tse, and T.M. Tritt, Theoretical studies on the thermopower of semiconductors and low-band-gap crystalline polymers, Phys. Rev. B 72, 125202, 2005
  4. J. Baumert, C. Gutt, M. Krisch, H. Requardt, M. Muller, J.S. Tse, D.D. Klug and W. Press, Elastic Properties of Methane Hydrate at High Pressure, Phys. Rev. B, 72, 054302, 2005.
  5. J.S. Tse and D.D. Klug, Recent trends fo the Design and Optimization of Thermoelectric Materials – A Theoretical Perspective, CRC Handbook of Thermoelectrics from Macro to Nano, ed. R.M. Rowe (2005)
  6. K. Chen, L.R. Zhou, J.S. Tse, Electronic character of interdiffusion of metals in nickel , J. Mat, Sci., 40, 2569 2005.
  7. R. Rousseau, K. Uehara, D.D. Klug and J.S. Tse, Phase Stability and Broken Symmetry Transition of Elemental Lithium up to 140 GPa, Chem. Phys. Chem, 6, 1703, 2005.
  8. H. Liu, J.S. Tse, J. Hu, Z. Liu, L. Wang, J. Chen. D.J. Weidner, Y. Meng, D. Hausermann and H-k. Mao, Structural refinement of high-pressure phase of Aluminium Trihydrixide: In-situ high pressure angle dispersive synchrotron x-ray diffraction and theoretical studies, J. Phys. Chem., 109, 8857 2005
  9. J.S. Tse, D.D. Klug, M. Guthrie, C.A. Tulk, C.J. Benmore and J. Urquidi, The nature of the intermediate and high density forms of amorphous ices, Phys. Rev. B, 71, 214107 2005.
  10. C. Sternemann, J.A. Soininen, S. Huotari, G. Vanko, M. Volmer, J.S.Tse and M. Tolan, X-ray Raman Scattering at the L-edges of Na, Si and the N-edge of Ba in Ba8Si46, Phys. Rev. B, 72, 035104 2005.
  11. Y.Q. Cai, H-k. Mao, P.C. Chow, J.S. Tse, Y. Ma, S. Patchkovskii, J.F. Shu, V. Struzhkin, R.J. Hemley, H. Ishii, C.C. Chen, C.T. Chen and C.C. Kao, Ordering of hydrogen bonds in high-pressure-low temperature H2O, Phys. Rev. Lett., 94, 25502 2005
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