Ab initio description of monovacancies in paramagnetic austenitic Fe-Cr-Ni alloys
L. Delczeg, B. Johansson, and L. Vitos
Phys. Rev. B 85, 174101 (2012) - Published 1 May, 2012
First-principles study of point defects under varied chemical potentials in LiBNH
David E. Farrell and C. Wolverton
Phys. Rev. B 85, 174102 (2012) - Published 1 May, 2012
Neural network interatomic potential for the phase change material GeTe
Gabriele C. Sosso, Giacomo Miceli, Sebastiano Caravati, Jörg Behler, and Marco Bernasconi
Phys. Rev. B 85, 174103 (2012) - Published 4 May, 2012
High-pressure melting curve of platinum from ab initio Z method
A. B. Belonoshko and A. Rosengren
Phys. Rev. B 85, 174104 (2012) - Published 7 May, 2012
Harmonic Debye-Waller analysis of anharmonic vibrations
D. J. Safarik, A. Llobet, and J. C. Lashley
Phys. Rev. B 85, 174105 (2012) - Published 11 May, 2012
Comprehensive study of the ferroelectricity induced by the spin-dependent - hybridization mechanism in BaGeO ( = Mn, Co, and Cu)
H. Murakawa, Y. Onose, S. Miyahara, N. Furukawa, and Y. Tokura
Phys. Rev. B 85, 174106 (2012) - Published 14 May, 2012
Landau theory of tilting of oxygen octahedra in perovskites
A. B. Harris
Phys. Rev. B 85, 174107 (2012) - Published 18 May, 2012
Structural and vibrational study of cubic SbO under high pressure
A. L. J. Pereira, L. Gracia, D. Santamaría-Pérez, R. Vilaplana, F. J. Manjón, D. Errandonea, M. Nalin, and A. Beltrán
Phys. Rev. B 85, 174108 (2012) - Published 18 May, 2012
Behavior of oxygen vacancies in single-crystal SrTiO: Equilibrium distribution and diffusion kinetics
Roger A. De Souza, Veronika Metlenko, Daesung Park, and Thomas E. Weirich
Phys. Rev. B 85, 174109 (2012) - Published 24 May, 2012
Crystal structures, strain analysis, and physical properties of SrCeMnO
Zhaoming Zhang, Brendan J. Kennedy, Christopher J. Howard, Michael A. Carpenter, Wojciech Miiller, Kevin S. Knight, Motohide Matsuda, and Michihiro Miyake
Phys. Rev. B 85, 174110 (2012) - Published 24 May, 2012
Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles
T. P. C. Klaver, D. J. Hepburn, and G. J. Ackland
Phys. Rev. B 85, 174111 (2012) - Published 24 May, 2012