Department Publications

2000s

2005

5. Direct enumeration of alloy configurations for electronic structural properties

   Peter A. Graf, Kwiseon Kim, Wesley B. Jones, and Gus L. W. Hart

   Appl. Phys. Lett. 87 (24), (2005).
   
6. Nonmetal ordering in TiC1-xNx: Ground-state structure and the effects of finite temperature

   B. Kolb and G. L. W. Hart

   Phys. Rev. B 72 (22), 224207 (2005).
   
7. Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloys

   V. Blum, G. L. W. Hart, M. J. Walorski, and A. Zunger

   Phys. Rev. B 72 (16), 165113 (2005).
   
8. Evolutionary approach for determining first-principles hamiltonians

   G. L. W. Hart, V. Blum, M. J. Walorski, and A. Zunger

   Nat. Mater. 4 (5), 391-394 (2005).
   
9. Vacancy Ordering and non-stoichiometry in TiC and TiN

   Gus L. W. Hart, Barry M. Klein, and Shanadeen Begay

   Complex Inorganic Solids: Structural, Stability, and Magnetic Properties of Alloys, P. E. A. Turchi, A. Gonis, K. Rajan, and A. Meike (Eds.), Springer (Berlin 2005)
   

^‡Undergraduate Student Author

^†Graduate Student Author