-
4
-
-
0035535380
-
Phonons and related crystal properties from density-functional perturbation theory
-
S. Baroni, S. de Gironcoli, A. Dal Corso and P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory. Rev. Mod. Phys. 73(2) 515 (2001).
-
(2001)
Rev. Mod. Phys.
, vol.73
, Issue.2
, pp. 515
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
5
-
-
0001379294
-
Interatomic force constants from first principles: The case of α-quartz
-
X. Gonze, J.-C. Charlier, D.C. Allan and M.P. Teter, Interatomic force constants from first principles: the case of α-quartz. Phys. Rev. B 50 13035 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 13035
-
-
Gonze, X.1
Charlier, J.-C.2
Allan, D.C.3
Teter, M.P.4
-
7
-
-
0001367240
-
Ab initio calculation of force constants and full phonon dispersions
-
S. Wei and M.Y. Chou, Ab initio calculation of force constants and full phonon dispersions. Phys. Rev. Lett. 69 2799 (1992).
-
(1992)
Phys. Rev. Lett.
, vol.69
, pp. 2799
-
-
Wei, S.1
Chou, M.Y.2
-
8
-
-
0001352673
-
Ab initio study of phonons in hexagonal GaN
-
K. Parlinski and Y. Kawazoe, Ab initio study of phonons in hexagonal GaN. Phys. Rev. B 60 15511 (1999).
-
(1999)
Phys. Rev. B
, vol.60
, pp. 15511
-
-
Parlinski, K.1
Kawazoe, Y.2
-
10
-
-
0037171091
-
The SIESTA method for ab initio order-N materials simulation
-
J.M. Soler, E. Artacho, J.D. Gale, A. García et al. The SIESTA method for ab initio order-N materials simulation. J. Phys. Condens. Matter 14 2745. SIESTA site: http://www.uam.es/siesta (2002).
-
(2002)
J. Phys. Condens. Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
García, A.4
-
13
-
-
0033235339
-
Nobel lecture: Electronic structure of matter - Wave functions and density functionals
-
W. Kohn, Nobel lecture: electronic structure of matter - wave functions and density functionals. Rev. Mod. Phys. 71 1253 (1999).
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 1253
-
-
Kohn, W.1
-
15
-
-
33645426115
-
Efficient pseudopotentials for plane-wave calculations
-
N. Troullier and J.L. Martins, Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 43 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
16
-
-
0001525042
-
-
WIEN97, Vienna University of Technology. Improved and updated Unix version of the original copyrighted WIEN code, (1997), which was published by P. Blaha, K. Schwarz, P. Sorantin and S. B. Trickey
-
P. Blaha, K. Schwarz and J. Luitz, WIEN97, Vienna University of Technology. Improved and updated Unix version of the original copyrighted WIEN code, (1997), which was published by P. Blaha, K. Schwarz, P. Sorantin and S. B. Trickey, in Comput. Phys. Commun. 59 339 (1990).
-
(1990)
Comput. Phys. Commun.
, vol.59
, pp. 339
-
-
Blaha, P.1
Schwarz, K.2
Luitz, J.3
-
18
-
-
0001149321
-
Phase transformation of BeSe and BeTe to the NiAs structure at high pressure
-
H. Luo, K. Ghandehari, R.G. Greene, A.L. Ruoff et al. Phase transformation of BeSe and BeTe to the NiAs structure at high pressure. Phys. Rev. B 52 7058 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 7058
-
-
Luo, H.1
Ghandehari, K.2
Greene, R.G.3
Ruoff, A.L.4
-
19
-
-
0000092194
-
Calculation of bulk moduli of diamond and zinc-blende solids
-
M.L. Cohen, Calculation of bulk moduli of diamond and zinc-blende solids. Phys. Rev. B 32 7988 (1985).
-
(1985)
Phys. Rev. B
, vol.32
, pp. 7988
-
-
Cohen, M.L.1
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