-
2
-
-
0034512636
-
N phases: A new class of solids: Thermodynamically stable nanolaminates
-
N phases: A new class of solids: Thermodynamically stable nanolaminates. Prog. Solid State Chem. 28, 201 (2000).
-
(2000)
Prog. Solid State Chem.
, vol.28
, pp. 201
-
-
Barsoum, M.W.1
-
9
-
-
36549089117
-
Layered stacking characteristics of ternary zirconium aluminum carbides
-
Z.J. Lin, L.F. He, M.S. Li, J.Y. Wang, and Y.C. Zhou: Layered stacking characteristics of ternary zirconium aluminum carbides. J. Mater. Res. 22, 3058 (2007).
-
(2007)
J. Mater. Res.
, vol.22
, pp. 3058
-
-
Lin, Z.J.1
He, L.F.2
Li, M.S.3
Wang, J.Y.4
Zhou, Y.C.5
-
20
-
-
33749429979
-
2AsC to those of other layered ternary carbides: A firstprinciples study
-
2AsC to those of other layered ternary carbides: A firstprinciples study. J. Phys. Condens. Matter 18, L527 (2006).
-
(2006)
J. Phys. Condens. Matter
, vol.18
-
-
Liao, T.1
Wang, J.Y.2
Zhou, Y.C.3
-
21
-
-
33745964342
-
Electronic structure and shearing in nanolaminated ternary carbides
-
D. Music, Z.M. Sun, A.A. Voevodin, and J.M. Schneider: Electronic structure and shearing in nanolaminated ternary carbides. Solid State Commun. 139, 139 (2006).
-
(2006)
Solid State Commun.
, vol.139
, pp. 139
-
-
Music, D.1
Sun, Z.M.2
Voevodin, A.A.3
Schneider, J.M.4
-
22
-
-
34347260659
-
2AlC (M = Ti, V, Cr)
-
2AlC (M = Ti, V, Cr). Phys. Rev. B 75, 174102 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 174102
-
-
Music, D.1
Houben, A.2
Dronskowski, R.3
Schneider, J.M.4
-
24
-
-
0020762303
-
Investigation of phase equilibria relation to fusion reaction materials: I. The ternary system Zr-Al-N
-
J.S. Schuster, J. Bauer, and J. Debuigne: Investigation of phase equilibria relation to fusion reaction materials: I. The ternary system Zr-Al-N. J. Nucl. Mater. 116, 131 (1983).
-
(1983)
J. Nucl. Mater.
, vol.116
, pp. 131
-
-
Schuster, J.S.1
Bauer, J.2
Debuigne, J.3
-
25
-
-
0021409330
-
Investigation of phase equilibria relation to fusion reaction materials: I. The ternary system Hf-Al-N
-
J.S. Schuster and J. Bauer: Investigation of phase equilibria relation to fusion reaction materials: I. The ternary system Hf-Al-N. J. Nucl. Mater. 120, 133 (1984).
-
(1984)
J. Nucl. Mater.
, vol.120
, pp. 133
-
-
Schuster, J.S.1
Bauer, J.2
-
30
-
-
0037171005
-
First-principles simulation: Ideas, illustrations and the CASTEP code
-
M.D. Segall, P.L.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne: First-principles simulation: Ideas, illustrations and the CASTEP code. J. Phys. Condens. Matter 14, 2717 (2002).
-
(2002)
J. Phys. Condens. Matter
, vol.14
, pp. 2717
-
-
Segall, M.D.1
Lindan, P.L.D.2
Probert, M.J.3
Pickard, C.J.4
Hasnip, P.J.5
Clark, S.J.6
Payne, M.C.7
-
31
-
-
20544463457
-
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
-
D. Vanderbilt: Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41, 7892 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
32
-
-
33744691386
-
Ground states of the electron gas by a stochastic method
-
D.M. Ceperley and B.J. Alder: Ground states of the electron gas by a stochastic method. Phys. Rev. Lett. 45, 566 (1980).
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566
-
-
Ceperley, D.M.1
Alder, B.J.2
-
33
-
-
26144450583
-
Self-interaction correction to densityfunctional approximations for many-electron systems
-
J.P. Perdew and A. Zunger: Self-interaction correction to densityfunctional approximations for many-electron systems. Phys. Rev. B 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
34
-
-
23244460838
-
Atoms, molecules, solids, and surfaces: Application of the generalized gradient approximation for exchange and correlation
-
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais: Atoms, molecules, solids, and surfaces: Application of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
35
-
-
4243456412
-
Special points for Brillouin-zone integrations - A reply
-
H.J. Monkhorst and J.D. Pack: Special points for Brillouin-zone integrations - A reply. Phys. Rev. B 16, 1748 (1977).
-
(1977)
Phys. Rev. B
, vol.16
, pp. 1748
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
36
-
-
33749419794
-
General methods for geometry and wavefunction optimization
-
T.H. Fischer and J. Almlof: General methods for geometry and wavefunction optimization. J. Phys. Chem. 96, 9768 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 9768
-
-
Fischer, T.H.1
Almlof, J.2
-
39
-
-
34547557466
-
First-principles calculation of stress
-
O.H. Nielsen and R.M. Martin: First-principles calculation of stress. Phys. Rev. Lett. 50, 697 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.50
, pp. 697
-
-
Nielsen, O.H.1
Martin, R.M.2
-
41
-
-
28244479274
-
Trends in elasticity and electronic structure of transition nitrides and carbides from first-principles
-
Z. Wu, X.J. Chen, V.V. Struzhkin, and R.E. Cohen: Trends in elasticity and electronic structure of transition nitrides and carbides from first-principles. Phys. Rev. B 71, 214103 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 214103
-
-
Wu, Z.1
Chen, X.J.2
Struzhkin, V.V.3
Cohen, R.E.4
-
42
-
-
20044384194
-
Hard superconducting nitrides
-
X.J. Chen, V.V. Struzhkin, Z. Wu, M. Somayazulu, J. Qian, S. Kung, A.N. Christens, Y. Zhao, R.E. Cohen, H.K. Mao, and R.J. Hemley: Hard superconducting nitrides. Proc. Nat. Acad. Sci. U.S.A. 102, 3198 (2005).
-
(2005)
Proc. Nat. Acad. Sci. U.S.A.
, vol.102
, pp. 3198
-
-
Chen, X.J.1
Struzhkin, V.V.2
Wu, Z.3
Somayazulu, M.4
Qian, J.5
Kung, S.6
Christens, A.N.7
Zhao, Y.8
Cohen, R.E.9
Mao, H.K.10
Hemley, R.J.11
-
43
-
-
0037265820
-
Stainless steel optimization from quantum mechanical calculations
-
L. Vitos, P.A. Korzhavyi, and B. Johansson: Stainless steel optimization from quantum mechanical calculations. Nat. Mater. 2, 25 (2003).
-
(2003)
Nat. Mater.
, vol.2
, pp. 25
-
-
Vitos, L.1
Korzhavyi, P.A.2
Johansson, B.3
-
44
-
-
20344388059
-
2SbP (M = Ti, Zr, Hf)
-
2SbP (M = Ti, Zr, Hf). Phys. Rev. B 71, 092102 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 092102
-
-
Music, D.1
Sun, Z.M.2
Schneider, J.M.3
-
45
-
-
31144470238
-
3N (M = Ni, Pd, Pt) studied by ab initio calculations
-
3N (M = Ni, Pd, Pt) studied by ab initio calculations. Appl. Phys. Lett. 88, 031914 (2006).
-
(2006)
Appl. Phys. Lett.
, vol.88
, pp. 031914
-
-
Music, D.1
Schneider, J.M.2
-
46
-
-
0026850213
-
Theoretical predication of structure and related properties of intermetallics
-
D.G. Pettifor: Theoretical predication of structure and related properties of intermetallics. Mater. Sci. Technol. 8, 345 (1992).
-
(1992)
Mater. Sci. Technol.
, vol.8
, pp. 345
-
-
Pettifor, D.G.1
-
47
-
-
0028375917
-
Making ceramics "ductile"
-
B.R. Lawn, N.P. Padture, H. Cait, and F. Guiberteau: Making ceramics "ductile." Science 263, 1114 (1994).
-
(1994)
Science
, vol.263
, pp. 1114
-
-
Lawn, B.R.1
Padture, N.P.2
Cait, H.3
Guiberteau, F.4
-
48
-
-
0004289416
-
-
Oxford University Press, London
-
A. Kelly: Strong Solids (Oxford University Press, London, 1966).
-
(1966)
Strong Solids
-
-
Kelly, A.1
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