-
2
-
-
0002521277
-
-
Kumar V., Andersen O.K., and Mookerjee A. (Eds), World Scientific, Singapore
-
Andersen O.K., Jepsen O., and Krier G. In: Kumar V., Andersen O.K., and Mookerjee A. (Eds). Lectures on Methods of Electronic Structure Calculation (1994), World Scientific, Singapore 63-124
-
(1994)
Lectures on Methods of Electronic Structure Calculation
, pp. 63-124
-
-
Andersen, O.K.1
Jepsen, O.2
Krier, G.3
-
3
-
-
85040877955
-
-
Blackwell Scientific Publications, Oxford
-
Anderson D. Theory of Earth (1989), Blackwell Scientific Publications, Oxford 366
-
(1989)
Theory of Earth
, pp. 366
-
-
Anderson, D.1
-
4
-
-
34250837502
-
Origin of the low rigidity of the Earth's inner core
-
Belonoshko A., Skorodumova N., Davis S., Osiptsov A., Rosengren A., and Johansson B. Origin of the low rigidity of the Earth's inner core. Science 316 (1995) 1603-1605
-
(1995)
Science
, vol.316
, pp. 1603-1605
-
-
Belonoshko, A.1
Skorodumova, N.2
Davis, S.3
Osiptsov, A.4
Rosengren, A.5
Johansson, B.6
-
5
-
-
0042364945
-
Stability of the body-centered-cubic phase of iron in the Earth's inner core
-
Belonoshko A., Ahuja R., and Johansson B. Stability of the body-centered-cubic phase of iron in the Earth's inner core. Nature 424 (2003) 1032-1034
-
(2003)
Nature
, vol.424
, pp. 1032-1034
-
-
Belonoshko, A.1
Ahuja, R.2
Johansson, B.3
-
6
-
-
84981761462
-
Composition of the Earth's mantle
-
Birch F. Composition of the Earth's mantle. Geophys. J. R. Astron. 4 (1961) 295-311
-
(1961)
Geophys. J. R. Astron.
, vol.4
, pp. 295-311
-
-
Birch, F.1
-
7
-
-
34547553168
-
Thermal expansion of iron-rich alloys and implications for the Earth's core
-
Chen B., Gao L., Funakoshi K., and Li J. Thermal expansion of iron-rich alloys and implications for the Earth's core. Proc. Natl. Acad. Sci. U.S.A. 104 (2007) 9162-9167
-
(2007)
Proc. Natl. Acad. Sci. U.S.A.
, vol.104
, pp. 9162-9167
-
-
Chen, B.1
Gao, L.2
Funakoshi, K.3
Li, J.4
-
9
-
-
33244487428
-
Beating the miscibility barrier between iron group elements and magnesium by high-pressure alloying
-
Dubrovinskaia N., Dubrovinsky L., Kantor I., Crichton W., Dmitriev V., Prakapenka V., Shen G., Vitos L., Ahuja R., Johansson B., and Abrikosov I. Beating the miscibility barrier between iron group elements and magnesium by high-pressure alloying. Phys. Rev. Lett. 95 (2005) 245502
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 245502
-
-
Dubrovinskaia, N.1
Dubrovinsky, L.2
Kantor, I.3
Crichton, W.4
Dmitriev, V.5
Prakapenka, V.6
Shen, G.7
Vitos, L.8
Ahuja, R.9
Johansson, B.10
Abrikosov, I.11
-
10
-
-
0000674958
-
In-situ X-ray study of thermal expansion and phase transition of iron at multimegabar pressure
-
Dubrovinsky L., Saxena S., Tutti F., Rekhi S., and LeBehan T. In-situ X-ray study of thermal expansion and phase transition of iron at multimegabar pressure. Phys. Rev. Lett. 84 (2000) 1720-1723
-
(2000)
Phys. Rev. Lett.
, vol.84
, pp. 1720-1723
-
-
Dubrovinsky, L.1
Saxena, S.2
Tutti, F.3
Rekhi, S.4
LeBehan, T.5
-
11
-
-
0037422067
-
Iron-silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle
-
Dubrovinsky L., Dubrovinskaia N., Langenhorst F., Dobson D., Rubie D., Gesmann C., Abrikosov I., Johansson B., Baykov V., Vitos L., Bihan T.L., Crichton W., Dmitriev V., and Weber H.P. Iron-silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle. Nature 422 (2003) 58-61
-
(2003)
Nature
, vol.422
, pp. 58-61
-
-
Dubrovinsky, L.1
Dubrovinskaia, N.2
Langenhorst, F.3
Dobson, D.4
Rubie, D.5
Gesmann, C.6
Abrikosov, I.7
Johansson, B.8
Baykov, V.9
Vitos, L.10
Bihan, T.L.11
Crichton, W.12
Dmitriev, V.13
Weber, H.P.14
-
12
-
-
34347378524
-
Body-centered cubic iron-nickel alloy in Earth's core
-
Dubrovinsky L., Dubrovinskaia N., Narygina O., Kantor I., Kuznetzov A., Prakapenka V., Vitos L., Johansson B., Mikhaylushkin A., Simak S., and Abrikosov I. Body-centered cubic iron-nickel alloy in Earth's core. Science 316 (2007) 1880-1883
-
(2007)
Science
, vol.316
, pp. 1880-1883
-
-
Dubrovinsky, L.1
Dubrovinskaia, N.2
Narygina, O.3
Kantor, I.4
Kuznetzov, A.5
Prakapenka, V.6
Vitos, L.7
Johansson, B.8
Mikhaylushkin, A.9
Simak, S.10
Abrikosov, I.11
-
15
-
-
0001431895
-
Coherent-potential approximation for a nonoverlapping-muffin-tin-potential model of random substitutional alloys
-
Gyorffy B.L. Coherent-potential approximation for a nonoverlapping-muffin-tin-potential model of random substitutional alloys. Phys. Rev., B 5 (1972) 2382-2384
-
(1972)
Phys. Rev., B
, vol.5
, pp. 2382-2384
-
-
Gyorffy, B.L.1
-
16
-
-
0035043654
-
In-situ studies of iron under pressure: new windows on the Earth's core
-
Hemley R., and Mao H. In-situ studies of iron under pressure: new windows on the Earth's core. Int. Geol. Rev. 43 (2001) 1-30
-
(2001)
Int. Geol. Rev.
, vol.43
, pp. 1-30
-
-
Hemley, R.1
Mao, H.2
-
17
-
-
34548314456
-
Sound wave velocities of fcc Fe-Ni alloy at high pressure and temperature by mean of inelastic X-ray scattering
-
Kantor A., Kantor I., Kurnusov A., Kuznetsov A., Dubrovinskaia N., Krisch M., Bossak A., Dmitriev V., Urusov V., and Dubrovinsky L. Sound wave velocities of fcc Fe-Ni alloy at high pressure and temperature by mean of inelastic X-ray scattering. Phys. Earth Planet. Inter. 164 (2007) 83-89
-
(2007)
Phys. Earth Planet. Inter.
, vol.164
, pp. 83-89
-
-
Kantor, A.1
Kantor, I.2
Kurnusov, A.3
Kuznetsov, A.4
Dubrovinskaia, N.5
Krisch, M.6
Bossak, A.7
Dmitriev, V.8
Urusov, V.9
Dubrovinsky, L.10
-
18
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn W., and Sham L. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140 (1965) A1133-A1138
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.2
-
19
-
-
0034635566
-
Physics of iron at Earth's core conditions
-
Laio A., Bernard S., Chiarotti G., Scandolo S., and Tosatti E. Physics of iron at Earth's core conditions. Science 287 (2000) 1027-1030
-
(2000)
Science
, vol.287
, pp. 1027-1030
-
-
Laio, A.1
Bernard, S.2
Chiarotti, G.3
Scandolo, S.4
Tosatti, E.5
-
20
-
-
0037059559
-
Iron-silicon alloy in Earth's core?
-
Lin J., Heinz D., Campbell A., Devine J., and Shen G. Iron-silicon alloy in Earth's core?. Science 295 (2002) 313-315
-
(2002)
Science
, vol.295
, pp. 313-315
-
-
Lin, J.1
Heinz, D.2
Campbell, A.3
Devine, J.4
Shen, G.5
-
21
-
-
0025669511
-
0.2 alloy to 260 GPa: implications for composition of the core
-
0.2 alloy to 260 GPa: implications for composition of the core. J. Geophys. Res. 95 (1990) 21737-21742
-
(1990)
J. Geophys. Res.
, vol.95
, pp. 21737-21742
-
-
Mao, H.1
Wu, Y.2
Chen, L.3
Shu, J.4
-
22
-
-
0032585516
-
Elasticity and rheology of iron above 220 GPa and the nature of the Earth's inner core
-
Mao H., Shu J., Shen G., Hemley R., Li B., and Singh A. Elasticity and rheology of iron above 220 GPa and the nature of the Earth's inner core. Nature 396 (1998) 741-743
-
(1998)
Nature
, vol.396
, pp. 741-743
-
-
Mao, H.1
Shu, J.2
Shen, G.3
Hemley, R.4
Li, B.5
Singh, A.6
-
23
-
-
0033587132
-
Correction: elasticity and rheology of iron above 220 GPa and the nature of the Earth's inner core
-
Mao H., Shu J., Shen G., Hemley R., Li B., and Singh A. Correction: elasticity and rheology of iron above 220 GPa and the nature of the Earth's inner core. Nature 399 (1999) 280
-
(1999)
Nature
, vol.399
, pp. 280
-
-
Mao, H.1
Shu, J.2
Shen, G.3
Hemley, R.4
Li, B.5
Singh, A.6
-
24
-
-
84942418849
-
-
Carlson R.W. (Ed), Elsevier, New York
-
McDonough W. In: Carlson R.W. (Ed). Treatise on Geochemistry (2003), Elsevier, New York 547-568
-
(2003)
Treatise on Geochemistry
, pp. 547-568
-
-
McDonough, W.1
-
25
-
-
0028812936
-
The composition of the Earth
-
McDonough W., and Suna S.s. The composition of the Earth. Chem. Geol. 120 (1995) 223-253
-
(1995)
Chem. Geol.
, vol.120
, pp. 223-253
-
-
McDonough, W.1
Suna, S.s.2
-
26
-
-
35348947913
-
Pure iron compressed and heated to extreme conditions
-
Mikhaylushkin A., Simak S., Dubrovinsky L., Dubrovinskaia N., Johansson B., and Abrikosov I. Pure iron compressed and heated to extreme conditions. Phys. Rev. Lett. 99 (2007) 165505
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 165505
-
-
Mikhaylushkin, A.1
Simak, S.2
Dubrovinsky, L.3
Dubrovinskaia, N.4
Johansson, B.5
Abrikosov, I.6
-
27
-
-
35949013397
-
Calculated thermal properties of metals
-
Moruzzi V., Janak J., and Schwarz K. Calculated thermal properties of metals. Phys. Rev., B 37 (1988) 790-799
-
(1988)
Phys. Rev., B
, vol.37
, pp. 790-799
-
-
Moruzzi, V.1
Janak, J.2
Schwarz, K.3
-
28
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew J.P., Burke K., and Ernzerhof M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77 (1996) 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
29
-
-
4444334861
-
Elasticity of hcp nonmagnetic Fe under pressure
-
Qiu S., and Marcus P. Elasticity of hcp nonmagnetic Fe under pressure. Phys. Rev., B 68 (2003) 054103
-
(2003)
Phys. Rev., B
, vol.68
, pp. 054103
-
-
Qiu, S.1
Marcus, P.2
-
30
-
-
0029512134
-
-
Robie R., and Hemingway B. Thermodynamic Properties of Minerals and Related Substances at 298.15 K and 1 bar (105 Pascals) Pressure and at Higher Temperatures. USGS Bulletin vol. 2131 (1995)
-
(1995)
USGS Bulletin
, vol.2131
-
-
Robie, R.1
Hemingway, B.2
-
31
-
-
11744310233
-
Estimation of single-crystal elastic moduli from polycrystalline X-ray diffraction at high pressure: application to FeO and iron
-
Singh A., Mao H., Shu J., and Hemley R. Estimation of single-crystal elastic moduli from polycrystalline X-ray diffraction at high pressure: application to FeO and iron. Phys. Rev. Lett. 80 (1998) 2157-2160
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 2157-2160
-
-
Singh, A.1
Mao, H.2
Shu, J.3
Hemley, R.4
-
32
-
-
2142648056
-
First-principles theory of iron up to earth-core pressures: structural, vibrational, and elastic properties
-
Söderlind P., Moriarty J., and Wills J. First-principles theory of iron up to earth-core pressures: structural, vibrational, and elastic properties. Phys. Rev., B 53 (1996) 14063-14072
-
(1996)
Phys. Rev., B
, vol.53
, pp. 14063-14072
-
-
Söderlind, P.1
Moriarty, J.2
Wills, J.3
-
33
-
-
36049055284
-
Coherent-potential model of substitutional disordered alloys
-
Soven P. Coherent-potential model of substitutional disordered alloys. Phys. Rev. 156 (1967) 809-813
-
(1967)
Phys. Rev.
, vol.156
, pp. 809-813
-
-
Soven, P.1
-
34
-
-
0001191459
-
First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure
-
Steinle-Neumann G., Stixrude L., and Cohen R.E. First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure. Phys. Rev., B 60 (1999) 791-799
-
(1999)
Phys. Rev., B
, vol.60
, pp. 791-799
-
-
Steinle-Neumann, G.1
Stixrude, L.2
Cohen, R.E.3
-
35
-
-
0035817829
-
Elasticity of iron at the temperature of the Earth's inner core
-
Steinle-Neumann G., Stixrude L., Cohen R.E., and Gülseren O. Elasticity of iron at the temperature of the Earth's inner core. Nature 413 (2001) 57-60
-
(2001)
Nature
, vol.413
, pp. 57-60
-
-
Steinle-Neumann, G.1
Stixrude, L.2
Cohen, R.E.3
Gülseren, O.4
-
36
-
-
0028870841
-
High-pressure elasticity of iron and anisotropy of Earth's inner core
-
Stixrude L., and Cohen R.E. High-pressure elasticity of iron and anisotropy of Earth's inner core. Science 267 (1995) 1972-1975
-
(1995)
Science
, vol.267
, pp. 1972-1975
-
-
Stixrude, L.1
Cohen, R.E.2
-
37
-
-
0034906979
-
Total-energy method based on the exact muffin-tin orbitals theory
-
Vitos L. Total-energy method based on the exact muffin-tin orbitals theory. Phys. Rev., B 64 (2001) 014107
-
(2001)
Phys. Rev., B
, vol.64
, pp. 014107
-
-
Vitos, L.1
-
38
-
-
0002091571
-
Application of the exact muffin-tin orbitals theory: the spherical cell approximation
-
Vitos L., Skriver H.L., Johansson B., and Kollár J. Application of the exact muffin-tin orbitals theory: the spherical cell approximation. Comput. Mater. Sci. 18 (2000) 24-38
-
(2000)
Comput. Mater. Sci.
, vol.18
, pp. 24-38
-
-
Vitos, L.1
Skriver, H.L.2
Johansson, B.3
Kollár, J.4
-
39
-
-
42749099134
-
Anisotropic lattice distortions in random alloys from first-principles theory
-
Vitos L., Abrikosov I., and Johansson B. Anisotropic lattice distortions in random alloys from first-principles theory. Phys. Rev. Lett. 87 (2001) 156401
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 156401
-
-
Vitos, L.1
Abrikosov, I.2
Johansson, B.3
-
40
-
-
4244122835
-
Elastic property maps of austenitic stainless steels
-
Vitos L., Korzhavyi P.A., and Johansson B. Elastic property maps of austenitic stainless steels. Phys. Rev. Lett. 88 (2002) 155501
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 155501
-
-
Vitos, L.1
Korzhavyi, P.A.2
Johansson, B.3
-
41
-
-
0037265820
-
Stainless steel optimization from quantum mechanical calculations
-
Vitos L., Korzhavyi P.A., and Johansson B. Stainless steel optimization from quantum mechanical calculations. Nat. Mater. 2 (2003) 25-28
-
(2003)
Nat. Mater.
, vol.2
, pp. 25-28
-
-
Vitos, L.1
Korzhavyi, P.A.2
Johansson, B.3
-
42
-
-
33645152937
-
Evidence of large magnetostructural effects in austenitic stainless steels
-
Vitos L., Korzhavyi P.A., and Johansson B. Evidence of large magnetostructural effects in austenitic stainless steels. Phys. Rev. Lett. 96 (2006) 117210
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 117210
-
-
Vitos, L.1
Korzhavyi, P.A.2
Johansson, B.3
-
43
-
-
0040463033
-
Ab initio free energy calculations on the polymorphs of iron at core conditions
-
Vocadlo L., Brodholt J., Alfè D., Gillan M., and Price G. Ab initio free energy calculations on the polymorphs of iron at core conditions. Phys. Earth Planet. Inter. 117 (2000) 123-137
-
(2000)
Phys. Earth Planet. Inter.
, vol.117
, pp. 123-137
-
-
Vocadlo, L.1
Brodholt, J.2
Alfè, D.3
Gillan, M.4
Price, G.5
-
44
-
-
0041523868
-
Possible thermal and chemical stabilization of body-centered-cubic iron in the Earth's core
-
Vocadlo L., Alfè D., Gillan M., Wood I., Brodholt J., and Price G. Possible thermal and chemical stabilization of body-centered-cubic iron in the Earth's core. Nature 424 (2003) 536-539
-
(2003)
Nature
, vol.424
, pp. 536-539
-
-
Vocadlo, L.1
Alfè, D.2
Gillan, M.3
Wood, I.4
Brodholt, J.5
Price, G.6
-
45
-
-
33746482866
-
An ab initio study of nickel substitution into iron
-
Vocadlo L., Dobson D., and Wood I. An ab initio study of nickel substitution into iron. Earth Planet. Sci. Lett. 248 (2006) 147-152
-
(2006)
Earth Planet. Sci. Lett.
, vol.248
, pp. 147-152
-
-
Vocadlo, L.1
Dobson, D.2
Wood, I.3
|