List of Publications
Amy Y. Liu

  1. A. Y. Liu, K. J. Chang and M. L. Cohen, ``Theory of electronic, vibrational and superconducting properties of fcc Si,'' Phys. Rev. B 37, 6344 (1988).
  2. A. Y. Liu, R. M. Wentzcovitch and M. L. Cohen, ``Structural and electronic properties of WC,'' Phys. Rev. B 38, 9483 (1988).
  3. A. Y. Liu and M. L. Cohen, ``Theoretical study of the stability of cubic WC,'' Solid State Commun. 67, 907 (1988).
  4. A. Y. Liu, R. M. Wentzcovitch and M. L. Cohen, ``Atomic arrangement and electronic structure of BC_2N,'' in Graphite Intercalation Compounds: Science and Applications, edited by M. Endo, M. S. Dresselhaus, and G. Dresselhaus (Mat. Res. Soc., Pittsburgh, 1988), p137.
  5. A. Y. Liu, R. M. Wentzcovitch and M. L. Cohen, ``Atomic arrangement and electronic structure of BC_2N,'' Phys. Rev. B 39, 1760 (1989).
  6. M. F. Crommie, A. Y. Liu, A. Zettl, M. L. Cohen, P. Parilla, M. F. Hundley, W. N. Creager, S. Hoen and M. S. Sherwin, ``c-axis stress dependence of normal and superconducting state properties of YBa_2Cu_3O_7,'' Phys. Rev. B 39, 4231 (1989).
  7. M. F. Crommie, A. Y. Liu, M. L. Cohen and A. Zettl, ``Variable normal-state properties of Bi_2Sr_2CaCu_2O_{8-y},'' Phys. Rev. B 41, 2526 (1990).
  8. A. Y. Liu and M. L. Cohen, ``Prediction of new low-compressibility materials,'' Science 245, 841 (1989).
  9. A. Y. Liu and M. L. Cohen, ``Structural properties and electronic structure of low compressibility materials: beta-Si_3N_4 and hypothetical beta-C_3N_4,'' Phys. Rev. B 41, 10727 (1990).
  10. A. Y. Liu and M. L. Cohen, ``Theory of structural and electronic properties of silicon nitride and carbon nitride,'' in Atomic Scale Calculations of Structure in Materials, edited by M. A. Schluter and M. S. Daw, MRS Symposia Proceedings No. 193 (Mat. Res. Soc., Pittsburgh, 1990).
  11. B. K. Godwal, C. Meade, R. Jeanloz, A. Garcia, A. Y. Liu and M. L. Cohen, ``Ultrahigh-pressure melting of lead: a multidisciplinary study,'' Science 248, 462 (1990).
  12. A. Y. Liu, A. Garcia, M. L. Cohen, B. K. Godwal and R. Jeanloz, ``Theory of high-pressure phases of Pb,'' Phys. Rev. B 43, 1795 (1991).
  13. A. Y. Liu, M. L. Cohen, K. C. Hass and M. A. Tamor, ``Structural properties of a three-dimensional all-sp^2 phase of carbon,'' Phys. Rev. B 43, 6742 (1991).
  14. A. Y. Liu and M. L. Cohen, ``Electron-phonon coupling in bcc and 9R Li,'' Phys. Rev. B 44, 9678 (1991).
  15. A. Y. Liu and M. L. Cohen, ``Theoretical study of a hypothetical metallic phase of carbon,'' Phys. Rev. B 45, 4579 (1992).
  16. J. L. Corkill, A. Y. Liu and M. L. Cohen, ``Comparison of carbon and boron nitride in a hypothetical all-sp^2-bonded tetragonal phase,'' Phys. Rev. B 45, 12746 (1992).
  17. A. Y. Liu and D. J. Singh, ``General potential study of the electronic and magnetic structure of FeCo,'' Phys. Rev. B 46, 11145 (1992).
  18. D. J. Singh, H. Krakauer, C. Haas and A. Y. Liu, ``The projector basis technique and Car-Parrinello scaling in mixed basis, linearized augmented plane wave, and extended linearized augmented plane wave electronic-structure methods,'' Phys. Rev. B 46, 13065 (1992).
  19. H. Krakauer, R. Yu, Q. Zhang, C. Haas, D. J. Singh and A. Y. Liu, ``Linear-reponse calculations using LAPW and mixed-basis methods,'' Ferroelectrics 136, 105 (1992).
  20. A. Y. Liu and D. J. Singh, ``Elastic instability of bcc cobalt,'' Phys. Rev. B 47, 8515 (1993).
  21. A. Y. Liu and D. J. Singh, ``Bcc cobalt: metastable phase or forced structure?'' J. Appl. Phys. 73, 6189 (1993).
  22. A. A. Quong, A. Y. Liu and B. M. Klein, ``Method for the determination of real-space force constants,'' in Materials Theory and Modeling, edited by J. Broughton, P. Bristow, and J. Newsam, MRS Symposia Proceedings No. 291 (Mat. Res. Soc., Pittsburgh, 1993).
  23. K. M. Yu, M. L. Cohen, E. E. Haller, W. L. Hansen, A. Y. Liu and I. C. Wu, ``Observation of crystalline C_3N_4,'' Phys. Rev. B, 49 5034, (1994).
  24. A. Y. Liu, D. J. Singh and H. Krakauer, ``Linearized-augmented-plane-wave method with Car-Parrinello scaling,'' Phys. Rev. B 49, 17424 (1994).
  25. A. Y. Liu and R. M. Wentzcovitch, ``Stability of carbon nitride solids'', Phys. Rev. B 50, 10362 (1994).
  26. A. Y. Liu, ``Predicting new hard materials", in Quantum Theory of Real Materials, edited by J. R. Chelikowsky and S. G. Louie (Kluwer, Boston, 1996).
  27. A. A. Quong and A. Y. Liu, ``Linear-response calculations of electron-phonon coupling parameters and free energies of defects,'' in Materials Theory, Simulations, and Parallel Algorithms, edited by E. Kaxiras, J. Joannopoulos, P. Vashista, and R. K. Kalia, MRS Symposia Proceedings No. 408, (Mat. Res. Soc., Pittsburgh, 1996).
  28. A. Y. Liu and A. A. Quong, ``Linear-response calculation of electron-phonon coupling parameters,'' Phys. Rev. B 53, R7575 (1996).
  29. R. H. Baughman, A. Y. Liu, C. Cui, and P. J. Shields, ``A carbon phase that graphitizes at room temperature,'' Synth. Metals 86 , 2371 (1997).
  30. J. K. Freericks, E. J. Nicol, A. Y. Liu, and A. A. Quong, ``Vertex-corrected tunneling inversion in superconductors,'' Czech. J. Phys. 46, Supplement S2, 603 (1996).
  31. J. K. Freericks, E. J. Nicol, A. Y. Liu, and A. A. Quong, ``Vertex-corrected tunneling inversion in superconductors: Pb,'' Phys. Rev. B. 55, 11651 (1997).
  32. J. K. Freericks and A. Y. Liu, ``The quantum world around us: teaching quantum and solid-state physics to non-science majors,'' in The Changing Role of Physics Departments in Modern Universities, edited by E. F. Redish and J. S. Rigden, AIP Conference Proceedings 399 (AIP, New York, 1997).
  33. A. A. Quong and A. Y. Liu, ``First-principles calculations of the thermal expansion of metals,'' Phys. Rev. B. 56, 7767 (1997).
  34. S. P. Rudin, R. Bauer, A. Y. Liu, and J. K. Freericks, ``Reevaluating electron-phonon coupling strengths: Indium as a test case for ab initio and many-body-theory methods,'' Phys. Rev. B 58, 14511 (1998).
  35. R. Bauer, A. Y. Liu, and D. Strauch, `` Phonon linewidths due to electron-phonon coupling in NbC,'' Physica B 263-264, 452 (1999).
  36. A. Y. Liu, A. A. Quong, J. K. Freericks, E. J. Nicol, and E. C. Jones, ``Structural phase stability and electron-phonon coupling in lithium,'' Phys. Rev. B 59, 4028 (1999).
  37. D. V. Porezag, M. R. Pederson, and A. Y. Liu, `` The importance of nonlinear core corrections for density-functional based pseudopotential calculations,'' Phys. Rev. B 60, 14132 (1999).
  38. S. P. Rudin and A. Y. Liu, ``Predicted simple-cubic phase and superconducting properties for compressed sulfur,'' Phys. Rev. Lett. 83, 3049 (1999).
  39. D. Porezag, M. R. Pederson, and A. Y. Liu, `` Adsorption and dissociation of hydrazoic acid on Al(111),'' Phys. Rev. B 61, 13230 (2000).
  40. J. K. Freericks, S. P. Rudin, and A. Y. Liu, `` First-principles determination of superconducting properties of metals,'' Physica B 284, 425 (2000).
  41. A. Y. Liu, ``Linear-response studies of the electron-phonon interaction in metals,'' Phys. Stat. Sol. B 217, 491 (2000).
  42. D. Porezag, M. R. Pederson, and A. Y. Liu, ``The accuracy of the pseudopotential approximation within density-functional theory,'' Phys. Stat. Sol. B 217, 219 (2000).
  43. S. P. Rudin, A. Y. Liu, J. K. Freericks, and A. Quandt, `` Comparison of structural transformations and superconductivity in compressed sulfur and selenium,'' Phys. Rev. B. 63, 224107 (2001).
  44. A. Quandt, A. Y. Liu, and I. Boustani, ``Density-functional calculations for metal-boron nanotubes,'' Phys. Rev. B 64, 125422 (2001).
  45. A. Y. Liu, I. I. Mazin, and J. Kortus, ``Beyond Eliashberg superconductivity in MgB2: anharmonicity, two-phonon scattering, and multiple gaps,'' Phys. Rev. Lett. 87, 087005 (2001).
  46. J. K. Freericks, Amy Y. Liu, A. Quandt, and J. Geerk, ``Nonconstant electronic density of states tunneling inversion for A15 superconductors: Nb3Sn,'' Phys. Rev. B 65, 224510 (2002).
  47. M. R. Pederson, A. Y. Liu, T. Baruah, E. Z. Kurmaev, A. Moewes, S. Chiuzbaian, M. Neumann, C. R. Kmety, K. L. Stevenson, and D. Ederer, ``Electronic structure of the molecule-based magnet Mn[N(CN)2]2 from theory and experiment,'' Phys. Rev. B 66, 014446 (2002).
  48. D. O. Demchenko, A. Y. Liu, E. Z. Kurmaev, L. D. Finkelstein, V. R. Galakhov, A. Moewes, S. Chiuzbaian, M. Neumann, C. R. Kmety, and K. L. Stevenson, ``Electronic structure of the transition-metal dicyanamides M[N(CN)2]2 (M=Mn,Fe,Co,Ni,Cu),'' Phys. Rev. B 69, 205105 (2004).
  49. D. O. Demchenko and A. Y. Liu, `` Influence of interface structure on electronic properties and Schottky barriers in Fe/GaAs magnetic junctions,'' Phys. Rev. B 73, 115332 (2006).
  50. K. Park, A. Y. Liu, and M. R. Pederson, ``Comparison of vibrational and electronic contributions to Van der Waals interactions,'' Phys. Rev. B 73, 205116 (2006).
  51. I. Schnell, I. I. Mazin, and A. Y. Liu, ``Unconventional superconducting pairing symmetry induced by phonons,'' Phys. Rev. B 74, 184503 (2006).
  52. A. Y. Liu and I. I. Mazin, ``Combining the advantages of superconducting MgB2 and CaC6 in one material: Suggestions from first-principles calculations," Phys. Rev. B 75, 064510 (2007).