Novel Materials Laboratory

Department of Physics

Department of Chemistry

Division of Materials Science and Engineering

Listed below are our publications since 2009.  For a full list of our 162 publications, please click here.

Recent Publications

1. "Effects of rare-earth size on the electronic structure of La1-xLuxVO3", B. Chen, J. Laverock, D. Newby Jr., J.F. McNulty, K.E. Smith, P.-A. Glans,, J.-H. Guo, R.M. Qiao, W. Yang, M.R. Lees, L.D. Tung, R.P. Singh, and G. Balakrishnan, J. Phys. Cond. Mat. 27, 105053 (2015)

2. “Evolution of correlated electron behavior from the surface to the bulk in SrxCa1-xVO3”, J. Laverock, B. Chen, J. Kuyyalil, R.P. Singh, G. Balakrishnan, R.M. Qiao, W.L. Yang, J. Adell, B. Karlin, J.C. Woicik, and K.E. Smith, Proc. Mater. Res. Soc. 1730 (2015)  doi = 10.1557/opl.2015.265

3. “Direct Observation of Decoupled Structural and Electronic Transitions and an Ambient Pressure Monoclinic-Like Metallic Phase of VO2”, J. Laverock, S. Kittiwatanakul, A.A. Zhakarov, Y. Niu, B. Chen, S.A. Wolf, J.W. Lu and K.E. Smith, Phys. Rev. Lett. 113, 216402 (2014)

4. “Observation of low-energy V t2g orbital excitations in NdVO3”, J. Laverock, B. Chen, A. R. H. Preston, D. Newby, Jr., L.F.J. Piper, L.D. Tung, G. Balakrishnan, P.-A. Glans, J.-H. Guo and K.E. Smith, J. Phys. Cond. Mat. 26, 455603 (2014)

5. “Potassium and Ion Beam induced Electron Accumulation in InN”, L. Colakerol, L.F.J. Piper, A. Fedorov, T. Chen, T.D. Moustakas, and K.E. Smith, Surf. Sci. 632, 154 (2014)

6. “Electronic Structure of ClAlPc/Pentacene/ITO Interfaces Studied by Using Soft X -ray Spectroscopy”,  S.W. Cho,  S. Lee, M. Kim, N. Heo, G. Lee, and K.E. Smith, J. Korean Phys. Soc., 65, 1629 (2014)

7. “Electronic structure of β-NaxV2O5 (x ≈ 0.33) polycrystalline films: growth, spectroscopy, and theory", B. Chen, J. Laverock, D. Newby, Jr., T.-Y. Su, K.E. Smith, W. Wu, L.H. Doerrer, N.F. Quackenbush, S. Sallis, L.F.J. Piper, D.A. Fischer, and J.C. Woicik, J. Phys. Chem. C 118, 1081 (2014)

8. “X-ray absorption spectroscopy and resonant inelastic x-ray scattering study of the first lithiation cycle of the Li-ion battery cathode Li2xMnSiO4”, P.T. Kristiansen, M. Dahbi, T. Gustafsson, K. Edström, D. Newby, K.E. Smith, and L.C. Duda, Chem. Phys. Phys. Chem., 16, 3846 (2014).

9. "Determination of individual atomic site contribution to the electronic structure of 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA)", S.W. Cho, A. DeMasi, A.R.H. Preston, K.E. Smith, L.F.J. Piper, K.V. Chauhan, and T.S. Jones, J. Chem. Phys. 139, 184711 (2013)

10. “Resonant soft x-ray emission as a bulk probe of correlated electron behavior in metallic SrxCa1-xVO3”, J. Laverock, B. Chen, K.E. Smith, G. Balakrishnan, M. Gu, J.W. Lu, S A. Wolf, R.M. Qiao, W. Yang, J. Adell, and T. Balasubramanian, Phys. Rev. Lett. 111, 047402 (2013)

11. “Synchrotron Radiation X-Ray Spectroscopic Studies of Interface Electronic Structure in Molecular Organic Photovoltaic Thin Films”, Kevin. E. Smith, J. Elec. Spec. Rel. Phenom. 190, 25 (2013).

12. “Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory”, L.F.J. Piper, J.P. Allen, D.O. Scanlon, N.F. Quackenbush, S. Sallis, J.A. Hewlett, A.S. Nandur, K. E. Smith, C. Weiland, D.A. Fischer, B.E. White, and G.W. Watson, Chem. Mat. 25, 3114 (2013)

13. “Transport behavior and electronic structure of phase pure VO2 thin films grown on c-plane sapphire under different O2 partial pressure.” S. Kittiwatanakul, J. Laverock, D. Newby, K.E. Smith, S.A. Wolf, and J. Lu, J. Appl. Phys. 114, 053703 (2013)

14. "Determination of the k-resolved susceptibility function of 2H-TaSe2 from angle-resolved photoemission measurements", J. Laverock, D. Newby Jr., E. Abreu, R. Averitt, K.E. Smith, R.P. Singh, G. Balakrishnan, J. Adell, and T. Balasubramanian, Phys. Rev. B. 88, 035108 (2013)

15. “Electronic structure of the Kagomé staircase compounds Ni3V2O8 and Co3V2O8”, J. Laverock, B. Chen, A.R.H. Preston, K.E. Smith, N.R. Wilson, G. Balakrishnan, P.-A. Glans and J.-H. Guo, Phys. Rev. B 87, 125133 (2013)

16. “Elucidating the nature of pseudo Jahn-Teller distortions in LixMnPO4: Combining density functional theory with soft and hard x-ray spectroscopy",  L.F.J. Piper, N.F. Quackenbush, S. Sallis, D.O. Scanlon, G.W. Watson, K.-W. Nam, X.-Q. Yang, K.E. Smith, F. Omenya, N.A. Chernova, and M.S. Whittingham, J. Phys. Chem. C, 117, 10383 (2013)

17. “Electronic structure of boron doped diamond: an x-ray spectroscopic study”  P.-A. Glans, T. Learmonth, K.E. Smith, S. Ferro, A. De Battisti, M. Mattesini, R. Ahuja, and J.-H. Guo, Appl. Phys. Lett. 102, 162103 (2013)

18. “Electronic structure of WO3 and Na0.667WO3 from soft x-ray spectroscopy and density functional theory”,  B. Chen, A. R. H. Preston, J. Laverock, L. F. J. Piper, S. W. Cho, A. DeMasi, K. E. Smith, P.-A. Glans, J.-H. Guo, D. O. Scanlon, G. W. Watson, and R. G. Egdell, J. Phys. Cond. Mat. 25, 165501 (2013).

19. “Analysis of Visible-Light-Active Sn(II)-TiO2 Photocatalysts”, V.B.R. Boppana, F. Jiao, D. Newby, Jr., J. Laverock, K.E Smith, J.C. Jumas, G. Hutchings, and R.F. Lobo, Phys. Chem. Chem. Phys., 15, 6185 (2013)

20. “Metal-Insulator Transition Induced in CaVO3 Ultrathin Films”, M. Gu, J. Laverock, B. Chen, K.E. Smith, S.A. Wolf, and J. Lu, J. Appl. Phys. 113, 133704 (2013)

21. “Photoemission evidence for crossover from Peierls-like to Mott-like transition in highly strained VO2”, J. Laverock, A.R.H. Preston, D. Newby, Jr., K.E. Smith, S. Sallis, L.F.J. Piper, S. Kittiwatanakul, J. Lu, S.A. Wolf, M. Leandersson, and T. Balasubramanian, Phys. Rev. B. 86, 195124 (2012)

22. "Strain dependence of bonding and hybridization across the metal-insulator transition of VO2”, J. Laverock, L.F.J. Piper, A.R.H. Preston, B. Chen, J. McNulty, K.E. Smith, S. Kittiwatanakul, J. Lu, S.A. Wolf, P.-A. Glans, J.-H. Guo, Phys. Rev. B, Rapid Communications, 85, 081104 (2012)

23. "Probing the effect of relative molecular orientation on the photovoltaic device performance of an organic bilayer heterojunction using soft x-ray spectroscopies", S.W. Cho, A. DeMasi, A.R.H. Preston, K.E. Smith, L.F.J. Piper, K.V. Chauhan and T.S. Jones, App. Phys. Lett. 100, 263302 (2012)

24. “Boron Subpthalocyanine Chloride as an Electron Acceptor for High Voltage Fullerene Free Organic Photovoltaics.”  N. Beaumont, S.W. Cho, P. Sullivan, D. Newby, R.A. Hatton, K.E. Smith, and T.S. Jones, Adv. Func. Mat. 22, 561 (2012)

25. “Synchrotron Radiation X-Ray Spectroscopic Studies of Interface Electronic Structure in Molecular Organic Photovoltaic Thin Films”, K.E. Smith, J. Elect. Spec. Rel. Phenom. (in press)

26. “Maximum entropy deconvolution of resonant inelastic x-ray scattering spectra”,  J. Laverock, A.R.H. Preston, K.E. Smith, and S.B. Dugdale, Phys. Rev. B. 84, 235111 (2011)

27. “Electronic structure of EuN: growth, spectroscopy, and theory”, J.H. Richter, B.J. Ruck, M. Simpson, F. Natali, N.O.V. Plank, M. Azeem, H.J. Trodahl, A.R.H. Preston, B. Chen, J. McNulty, K.E. Smith, A. Tadich, B. Cowie, A. Svane, M. van Schilfgaarde, and W.R.L. Lambrecht, Phys. Rev. B 84, 235120 (2011).

28. “Orbital anisotropy and low-energy excitations of the quasi one-dimensional conductor β-Sr0.17V2O5”, J. Laverock, A.R.H. Preston, B. Chen, J. McNulty, L.F.J. Piper, K.E. Smith, P.A. Glans, J.H. Guo, C. Marin, E. Janod, and V. Ta Phuoc, Phys. Rev. B 84, 155103 (2011)

29. “First Principles Calculation of Resonant X-Ray Emission Spectra applied to ZnO”, A.R.H. Preston, A. DeMasi, L.F.J. Piper, K.E. Smith, W.R.L. Lambrecht, A. Boonchun, T. Cheiwchanchamnangij, J. Arnemann, M. van Schilfgaarde, and B.J. Ruck, Phys. Rev. B. 83, 205106 (2011)

30. "The Nature of the Lone-Pair in BiVO4", ,D.J. Payne, M. Robinson, R.G. Egdell, A. Walsh, J. McNulty, K.E. Smith, and L.F.J. Piper, Appl. Phys. Lett. 98, 212110 (2011)

31. "Soft X-ray Spectroscopic Study of Strontium-doped Lanthanum Manganite (La0.8Sr0.2MnO3) Cathodes for Solid Oxide Fuel Cells", L.F.J. Piper, A.R.H. Preston, S.W. Cho, A. DeMasi, B. Chen, J. Laverock, K.E. Smith, L. Miara, J.N. Davis, S.N. Basu, U. Pal, S. Gopalan, L. Saraf, T. Kaspar, A.Y. Matsuura, P.A. Glans, and J.H. Guo, J. Electrochem. Soc. 158, B99 (2011)

32. “Resonant Soft X-Ray Emission and X-Ray Absorption Studies on
Ga1-xMnxN grown by pulsed laser deposition.” S. Krishnamurthy, B. Kennedy, F. McGee, M. Venkatesan, J.M.D. Coey, J.G. Lunney, T. Learmonth, K.E. Smith, T. Schmitt and C. McGuinness, Physica Status Solidi C 8, 1608 (2011)

33. “Direct evidence of metallicity at ZnO (0001)-(1×1) surfaces from angle-resolved photoemission spectroscopy”, L.F.J. Piper, A.R.H. Preston, A. Fedorov, S.W. Cho, A. DeMasi, and K.E. Smith, Phys. Rev. B. 81, 233305 (2010)

34. "Electronic structure study of the bases in DNA duplexes by in situ photon-in/photon-out soft X-ray spectroscopy", J.H. Guo, S. Kastanov, J. Soderstrom, P.A. Glans, M. West, T. Learmonth, J.W. Chiou, Y. Luo, J. Nordgren, K.E. Smith, W.F. Pong, H. Cheng, and J.M. Griffiss, J. Elec. Spec. Related Phenom. 181, 197 (2010).

35. "Soft X-ray Spectroscopic Study of the Ferromagnetic Insulator: V0.82Cr0.18O2", L.F.J. Piper, A. DeMasi, S.W. Cho, A. Preston, J. Laverock, K.E. Smith, K.G. West, J.W. Lu, and S.A. Wolf,  Phys. Rev. B 82, 235103 (2010).

36. "Low energy electronic spectroscopy of an infinite-layer cuprate: A resonant inelastic X-ray scattering study of CaCuO2", B. Freelon, A. Augustsson, J.H. Guo, P.G. Medaglia, A. Tebano, G. Balestrino, C.L. Dong, C.L. Chang, P.A. Glans, T. Learmonth, K.E. Smith, J. Nordgren, and Z. Hussain, Physica C 470, 187 (2010).

37. "Soft X-ray Spectroscopy of C60/Copper Phthalocyanine/MoO3 Interfaces: Role of Reduced MoO3 on Energetic Band Alignment and Improved Performance", S. W. Cho, L. F. J. Piper, A. DeMasi, A. R. H. Preston,  K. E. Smith, K. V. Chauhan, R. A. Hatton, and T. S. Jones, J. Phys. Chem. 114, 18252 (2010).

38. "Electronic Band Structure Information of GdN extracted from X-ray Absorption and Emission spectroscopy", A.R.H. Preston, H.J. Trodahl, B.J. Ruck, L.F.J. Piper, K.E. Smith, J.E. Downes, and W.R.L. Lambrecht, Appl. Phys. Lett. 96, 032101 (2010).

39. “Electronic Structure of N,N'-Ethylene-bis(1,1,1-trifluoropentane-2,4-dioneiminato)-copper(ii) (Cu-TFAC), from Soft X-ray Spectroscopies and Density Functional Theory Calculations”
A. DeMasi, S.W. Cho, L.F.J. Piper, A.R.H. Preston, K.E. Smith, R.J. Allenbaugh, W.A. Barksdale, and L.H. Doerrer, Phys. Chem. Chem. Phys. 12, 3171 (2010)

40. "Electronic Structure of C60/phthalocyanine/ITO Interfaces Studied using Soft X-Ray Spectroscopies",
S.W. Cho, L.F.J. Piper, A. DeMasi, K.E. Smith, K.V. Chauhan, I. Hancox, P. Sullivan, R.A. Hatton, and T.S. Jones, J. Phys. Chem. C. 114, 1928 (2010)

41. “Elucidating the Factors That Determine the Open-circuit Voltage in Discrete Heterojunction Organic Photovoltaic Cells”
K.V. Chauhan, I. Hancox, P. Sullivan, R.A. Hatton, T.S. Jones, S.W. Cho, L.F.J. Piper, A. DeMasi, K.E. Smith, J. Mat. Chem. 20, 1173 (2010).

42. “Soft X-Ray Spectroscopy Study of the Element and Orbital Contributions to the Electronic Structure of Copper Hexadecafluoro-Phthalocyanine (F16CuPc)”
L. F. J. Piper, S. W. Cho, Y. Zhang, A. DeMasi, K.E. Smith, A. Matsuura, and C. McGuinness, Phys. Rev. B 81, 045201 (2010)

43. “Temperature Dependent Resonant Inelastic Soft X-ray Scattering Study of the Correlated Metal BaV0.98Ti0.02S3"
T. Learmonth, P.A. Glans, J.-H. Guo, M. Greenblatt, K.E. Smith, J. Phys. Condens. Matter, 22, 025504 (2010)

44. “A Comparative Study of Bandwidths in Copper Delafossites”,
D. Shin, J.S. Foord, D.J. Payne, T.R. Arnold, D. Aston, R.G. Egdell, K. G. Godinho, D. O. Scanlon, B. J. Morgan, G. W. Watson, C. Yaicle, E. Mugnier, A. Rougier, L. Colakerol, L.F. J. Piper and K. E. Smith, Phys. Rev. B 80, 233105 (2009)

45. “X-Ray Spectroscopic Study of the Electronic Structure of CuCrO2"
T. Arnold, D. J. Payne, A. Bourlange, J.P. Hu,  R. G. Egdell, L.F.J. Piper, L. Colakerol, P.-A. Glans, K.E. Smith, D. O. Scanlon, A. Walsh, B. J. Morgan, and G. W. Watson, Phys. Rev. B. 79, 075102 (2009).

46. “Electronic Structure of the Organic Semiconductor Copper Tetraphenylporphyrin (CuTPP)”
I. Reid, Y. Zhang, A. Demasi, A. Blaser, L.F.J. Piper, J. Downes, G. Hughes and K.E. Smith, App. Surf. Sci. 256, 720 (2009).

47. Comment on “Near-Edge X-ray Absorption Fine-Structure Investigation of Graphene”
H.K. Jeong, H.J. Noh, J.Y. Kim, L. Colakerol, P.A. Glans, M.H. Jin, K.E. Smith, and Y.H. Lee, Phys. Rev. Lett. 102, 099701 (2009).

48. “Electronic Structure of In2O3 from Resonant X-ray Emission Spectroscopy”
L.F.J. Piper, A. DeMasi, S.W. Cho, K.E. Smith, F. Fuchs, F. Bechstedt, C. Körber, A. Klein, D. J. Payne and R. G. Egdell, Appl. Phys. Lett. 94, 022105 (2009)

49. “Resonant Soft X-Ray Inelastic Scattering and Soft X-Ray Emission Study of the Electronic Structure of a-MoO3”
T. Learmonth, C. McGuinness, P.A. Glans, B. Kennedy, J. St. John, J.-H. Guo, M. Greenblatt, K.E. Smith, Phys. Rev. B 79, 035110 (2009)