First-principles study of possible shallow donors in ZnAlO spinel
H. Dixit, Nandan Tandon, S. Cottenier, R. Saniz, D. Lamoen, and B. Partoens
Phys. Rev. B 87, 174101 (2013) - Published 7 May, 2013
Strong magnetic-dielectric-lattice coupling in transition metal hydroxyhalides and ferroelectric response in rhombohedral Co(OD) (, Br)
X. G. Zheng, M. Fujihala, S. Kitajima, M. Maki, K. Kato, M. Takata, and C. N. Xu
Phys. Rev. B 87, 174102 (2013) - Published 13 May, 2013
Interplay between hydrogen and vacancies in -Fe
Erin Hayward and Chu-Chun Fu
Phys. Rev. B 87, 174103 (2013) - Published 14 May, 2013
Shock-compressed graphite to diamond transformation on nanosecond time scales
J. M. Winey and Y. M. Gupta
Phys. Rev. B 87, 174104 (2013) - Published 17 May, 2013
Hydrogen-helium demixing from first principles: From diamond anvil cells to planetary interiors
Miguel A. Morales, Sebastien Hamel, Kyle Caspersen, and Eric Schwegler
Phys. Rev. B 87, 174105 (2013) - Published 20 May, 2013
Fundamental constraints on the strength of transition-metal borides: The case of CrB
Bing Li, Hong Sun, Chenpeng Zang, and Changfeng Chen
Phys. Rev. B 87, 174106 (2013) - Published 20 May, 2013
Theoretical assessment on the possibility of constraining point-defect energetics by pseudo phase transition pressures
Hua Y. Geng, Hong X. Song, and Q. Wu
Phys. Rev. B 87, 174107 (2013) - Published 20 May, 2013
Lithiation of silicon via lithium Zintl-defect complexes from first principles
Andrew J. Morris, R. J. Needs, Elodie Salager, C. P. Grey, and Chris J. Pickard
Phys. Rev. B 87, 174108 (2013) - Published 21 May, 2013
XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia
O. J. Dura, R. Boada, M. A. López de la Torre, G. Aquilanti, A. Rivera-Calzada, C. Leon, and J. Chaboy
Phys. Rev. B 87, 174109 (2013) - Published 22 May, 2013
Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics
Ioan B. Magdău and Graeme J. Ackland
Phys. Rev. B 87, 174110 (2013) - Published 23 May, 2013
Hybrid Hartree-Fock density functional study of charged point defects in ferroelectric PbTiO
Takahiro Shimada, Taku Ueda, Jie Wang, and Takayuki Kitamura
Phys. Rev. B 87, 174111 (2013) - Published 23 May, 2013
Relative entropy as model selection tool in cluster expansions
Jesper Kristensen, Ilias Bilionis, and Nicholas Zabaras
Phys. Rev. B 87, 174112 (2013) - Published 28 May, 2013
Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation
Haowei Peng and Stephan Lany
Phys. Rev. B 87, 174113 (2013) - Published 30 May, 2013