Publications

Found 16 results
Author Title [ Type(Asc)] Year
Filters: Author is J.C. Thomas  [Clear All Filters]
Journal Article
J.C. Thomas, N.A. Modine, J.M. Millunchick, and A. Van der Ven. "Systematic approach for determination of equilibrium atomic surface structure." Physical Review B 82 (2010): 165434.
A. Duzik, J.C. Thomas, A. Van der Ven, and J.M. Millunchick. "Surface reconstruction stability and configurational disorder on Bi-terminated GaAs (001)." Physical Review B 87 (2013): 035313.
J.C. Thomas, J.M. Millunchick, N.A. Modine, and A. Van der Ven. "Surface atomic order of compound III-V semiconductor alloys at finite temperature." Physical Review B 80 (2009): 125315.
H. Kim, M. Kaviany, J.C. Thomas, A. Van der Ven, C. Uher, and B. Huang. "Structural order-disorder transitions and phonon conductivity of partially filled skutterudites." Physical review letters 105 (2010): 265901.
J.C. Thomas, J.M. Millunchick, A. Van der Ven, and N.A. Modine. "Phase stability analysis of the InAs/GaAs (001) wetting layer from first principles." Physical Review B 89 (2014): 205306.
A. Van der Ven, J.C. Thomas, Q. Xu, B. Swoboda, and D. Morgan. "Nondilute diffusion from first principles: Li diffusion in Li x TiS 2." Physical Review B 78 (2008): 104306.
H. Chi, H. Kim, J.C. Thomas, G. Shi, K. Sun, M. Abeykoon, E.S. Bozin, X. Shi, Q. Li, X. Shi et al. "Low-temperature structural and transport anomalies in Cu 2 Se." Physical Review B 89 (2014): 195209.
A. Van der Ven, J.C. Thomas, Q. Xu, and J. Bhattacharya. "Linking the electronic structure of solids to their thermodynamic and kinetic properties." Mathematics and computers in simulation 80 (2010): 1393-1410.
A. Aryanfar, J.C. Thomas, A. Van der Ven, D. Xu, M. Youssef, J. Yang, B. Yildiz, and J. Marian. "Integrated Computational Modeling of Water Side Corrosion in Zirconium Metal Clad Under Nominal LWR Operating Conditions." JOM 68 (2016): 2900-2911.
S.R. Lee, A.F. Wright, N.A. Modine, C.C. Battaile, S.M. Foiles, J.C. Thomas, and A. Van der Ven. "First-principles survey of the structure, formation energies, and transition levels of As-interstitial defects in InGaAs." Physical Review B 92 (2015): 045205.
J.C. Thomas, and A. Van der Ven. "Finite-temperature properties of strongly anharmonic and mechanically unstable crystal phases from first principles." Physical Review B 88 (2013): 214111.
J.C. Thomas, and A. Van der Ven. "Elastic properties and stress-temperature phase diagrams of high-temperature phases with low-temperature lattice instabilities." Physical Review B 90 (2014): 224105.
M.H. Chen, J.C. Thomas, A.R. Natarajan, and A. Van der Ven. "Effects of strain on the stability of tetragonal ZrO 2." Physical Review B 94 (2016): 054108.
H.C. Yu, C. Ling, J. Bhattacharya, J.C. Thomas, K. Thornton, and A. Van der Ven. "Designing the next generation high capacity battery electrodes." Energy & Environmental Science 7 (2014): 1760-1768.
J.C. Thomas, A. Van der Ven, J.M. Millunchick, and N.A. Modine. "Considerations for surface reconstruction stability prediction on GaAs (001)." Physical Review B 87 (2013): 075320.
H. Chi, H. Kim, J.C. Thomas, X. Su, S. Stackhouse, M. Kaviany, A. Van der Ven, X. Tang, and C. Uher. "Configuring pnicogen rings in skutterudites for low phonon conductivity." Physical Review B 86 (2012): 195209.