Ice phases under ambient and high pressure: Insights from density functional theory
Yuan Fang, Bing Xiao, Jianmin Tao, Jianwei Sun, and John P. Perdew
Phys. Rev. B 87, 214101 (2013) - Published 5 June, 2013
Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results
Laurids Schimka, René Gaudoin, Jiří Klimeš, Martijn Marsman, and Georg Kresse
Phys. Rev. B 87, 214102 (2013) - Published 13 June, 2013
Transformation and structure of silicatelike CO-V
Choong-Shik Yoo, Minseob Kim, Wolfgang Morgenroth, and Peter Liermann
Phys. Rev. B 87, 214103 (2013) - Published 17 June, 2013
Magnetism and structural distortions in uranium sulfide under pressure
J. R. Jeffries, P. Söderlind, H. Cynn, A. Landa, W. J. Evans, S. T. Weir, Y. K. Vohra, and G. H. Lander
Phys. Rev. B 87, 214104 (2013) - Published 18 June, 2013
Density functional calculation of activation energies for lattice and grain boundary diffusion in alumina
Yinkai Lei, Yu Gong, Zhiyao Duan, and Guofeng Wang
Phys. Rev. B 87, 214105 (2013) - Published 19 June, 2013
Scalable kernel polynomial method for calculating transition rates
Chen Huang, Arthur F. Voter, and Danny Perez
Phys. Rev. B 87, 214106 (2013) - Published 24 June, 2013
Quasistatic stick-slip of a dislocation core and the Frenkel-Kontorova chain
Mishreyee Bhattacharya, Amlan Dutta, and Parthasarathi Barat
Phys. Rev. B 87, 214107 (2013) - Published 24 June, 2013
Modeling vitreous silica bilayers
Mark Wilson, Avishek Kumar, David Sherrington, and M. F. Thorpe
Phys. Rev. B 87, 214108 (2013) - Published 26 June, 2013
Pressure-induced softening as a common feature of framework structures with negative thermal expansion
Hong Fang and Martin T. Dove
Phys. Rev. B 87, 214109 (2013) - Published 26 June, 2013
Ferroelectric distortions in doped ferroelectrics: BaTiO: (Fe)
Hirak Kumar Chandra, Kapil Gupta, Ashis Kumar Nandy, and Priya Mahadevan
Phys. Rev. B 87, 214110 (2013) - Published 27 June, 2013
Structural investigation of californium under pressure
S. Heathman, T. Le Bihan, S. Yagoubi, B. Johansson, and R. Ahuja
Phys. Rev. B 87, 214111 (2013) - Published 28 June, 2013