-
1
-
-
0000057971
-
Real-space formulation of the mixed-basis pseudopotential method: Bulk structural properties of elemental copper
-
Kang M.H., Tatar R.C., Mele E.J., Soven P. Real-space formulation of the mixed-basis pseudopotential method: bulk structural properties of elemental copper. Phys. Rev. B. 35:1987;5457-5472.
-
(1987)
Phys. Rev. B
, vol.35
, pp. 5457-5472
-
-
Kang, M.H.1
Tatar, R.C.2
Mele, E.J.3
Soven, P.4
-
2
-
-
0000245566
-
First-principles determination of the bulk phase diagram for body-centered-tetragonal copper: Application to epitaxial growth of Cu on Fe{100}
-
Morrison I.A., Kang M.H., Mele E.J. First-principles determination of the bulk phase diagram for body-centered-tetragonal copper: application to epitaxial growth of Cu on Fe{100}. Phys. Rev. B. 39:1989;1575-1580.
-
(1989)
Phys. Rev. B
, vol.39
, pp. 1575-1580
-
-
Morrison, I.A.1
Kang, M.H.2
Mele, E.J.3
-
3
-
-
0000873306
-
Epitaxial growth of body-centered-tetragonal copper
-
Li H., Wu S.C., Tian D., Quinn J., Li Y.S., Jona F., Marcus P.M. Epitaxial growth of body-centered-tetragonal copper. Phys. Rev. B. 40:1989;5841-5844.
-
(1989)
Phys. Rev. B
, vol.40
, pp. 5841-5844
-
-
Li, H.1
Wu, S.C.2
Tian, D.3
Quinn, J.4
Li, Y.S.5
Jona, F.6
Marcus, P.M.7
-
4
-
-
0001318824
-
Low-energy electron diffraction and photoemission study of epitaxial films of Cu on Ag{001}
-
Liu H., Tian D., Quinn J., Li Y.S., Jona F., Marcus P.M. Low-energy electron diffraction and photoemission study of epitaxial films of Cu on Ag{001}. Phys. Rev. B. 43:1991;6342-6346.
-
(1991)
Phys. Rev. B
, vol.43
, pp. 6342-6346
-
-
Liu, H.1
Tian, D.2
Quinn, J.3
Li, Y.S.4
Jona, F.5
Marcus, P.M.6
-
5
-
-
0000889647
-
Elastic constants of Cu and the instability of its bcc structure
-
Kraft T., Marcus P.M., Methfessel M., Scheffler M. Elastic constants of Cu and the instability of its bcc structure. Phys. Rev. B. 48:1993;5886-5890.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 5886-5890
-
-
Kraft, T.1
Marcus, P.M.2
Methfessel, M.3
Scheffler, M.4
-
6
-
-
0001761728
-
Strain driven fcc-bct phase transition of pseudomorphic Cu films on Pd(100)
-
Hahn E.H., Kampshoff E., Wälchli N., Kern K. Strain driven fcc-bct phase transition of pseudomorphic Cu films on Pd(100). Phys. Rev. Lett. 74:1995;1803-1806.
-
(1995)
Phys. Rev. Lett.
, vol.74
, pp. 1803-1806
-
-
Hahn, E.H.1
Kampshoff, E.2
Wälchli, N.3
Kern, K.4
-
7
-
-
0000384087
-
Ferromagnetic and antiferromagnetic exchange coupling in bcc epitaxial ultrathin Fe(001)/Cu(001)Fe(001) trilayers
-
Heinrich B., Celinski Z., Cochran J.F., Muir W.B., Rudd J., Zhong Q.M., Arrott A.S., Myrtle K. Ferromagnetic and antiferromagnetic exchange coupling in bcc epitaxial ultrathin Fe(001)/Cu(001)Fe(001) trilayers. Phys. Rev. Lett. 64:1990;673-676.
-
(1990)
Phys. Rev. Lett.
, vol.64
, pp. 673-676
-
-
Heinrich, B.1
Celinski, Z.2
Cochran, J.F.3
Muir, W.B.4
Rudd, J.5
Zhong, Q.M.6
Arrott, A.S.7
Myrtle, K.8
-
8
-
-
0346829334
-
Observation of body centered cubic Cu in Cu/Nb nanolayered composites
-
Kung H., Lu Y.-C., Griffin A.J. Jr., Nastasi M., Mitchell T.E., Embury J.D. Observation of body centered cubic Cu in Cu/Nb nanolayered composites. Appl. Phys. Lett. 71:1997;2103-2105.
-
(1997)
Appl. Phys. Lett.
, vol.71
, pp. 2103-2105
-
-
Kung, H.1
Lu, Y.-C.2
Griffin A.J., Jr.3
Nastasi, M.4
Mitchell, T.E.5
Embury, J.D.6
-
9
-
-
0031190452
-
Microstructure/properties relations of advanced materials structure and mechanical properties of copper/niobium multilayers
-
Mitchell T.E., Lu Y.-C., Griffin A.J. Jr., Nastasi M., Kung H. Microstructure/properties relations of advanced materials structure and mechanical properties of copper/niobium multilayers. J. Am. Ceram. Soc. 80:1997;1673-1676.
-
(1997)
J. Am. Ceram. Soc.
, vol.80
, pp. 1673-1676
-
-
Mitchell, T.E.1
Lu, Y.-C.2
Griffin A.J., Jr.3
Nastasi, M.4
Kung, H.5
-
10
-
-
0000715634
-
Occasional long-range nonequilibrium body-centered-cubic structures in NiFe/Cu spin valves
-
Geng H., Heckman J.W., Pratt W.P., Bass J., Espinosa F.J., Lederman D., Crimp M.A. Occasional long-range nonequilibrium body-centered-cubic structures in NiFe/Cu spin valves. J. Appl. Phys. 86:1999;4166-4175.
-
(1999)
J. Appl. Phys.
, vol.86
, pp. 4166-4175
-
-
Geng, H.1
Heckman, J.W.2
Pratt, W.P.3
Bass, J.4
Espinosa, F.J.5
Lederman, D.6
Crimp, M.A.7
-
11
-
-
0000584784
-
Large strains in the epitaxy of Cu on Pt{001}
-
Li Y.S., Quinn J., Li H., Tian D., Jona F., Marcus P.M. Large strains in the epitaxy of Cu on Pt{001}. Phys. Rev. B. 44:1991;8261-8266.
-
(1991)
Phys. Rev. B
, vol.44
, pp. 8261-8266
-
-
Li, Y.S.1
Quinn, J.2
Li, H.3
Tian, D.4
Jona, F.5
Marcus, P.M.6
-
12
-
-
0001604522
-
Structural properties of bulk copper: Pseudopotential plane-wave-basis study
-
Jeong S. Structural properties of bulk copper: pseudopotential plane-wave-basis study. Phys. Rev. B. 53:1996;13973-13976.
-
(1996)
Phys. Rev. B
, vol.53
, pp. 13973-13976
-
-
Jeong, S.1
-
13
-
-
0000531625
-
Hcp-to-fcc stacking switch in thin cobalt films induced by Cu capping
-
Rath C., Prieto J.E., Müller S., Miranda R., Heinz K. hcp-to-fcc stacking switch in thin cobalt films induced by Cu capping. Phys. Rev. B. 55:1997;10791-10799.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 10791-10799
-
-
Rath, Ch.1
Prieto, J.E.2
Müller, S.3
Miranda, R.4
Heinz, K.5
-
14
-
-
0029770203
-
New ordered structure of TiAl studied by high-resolution electron microscopy
-
Abe E., Kumagai T., Nakamura M. New ordered structure of TiAl studied by high-resolution electron microscopy. Intermetallics. 4:1996;327-333.
-
(1996)
Intermetallics
, vol.4
, pp. 327-333
-
-
Abe, E.1
Kumagai, T.2
Nakamura, M.3
-
15
-
-
0000940522
-
Identification of metastable phases: Face-centred cubic Ti
-
Marcus P.M., Jona F. Identification of metastable phases: face-centred cubic Ti, J. Phys.: Condens. Matter. 9:1997;6241-6246.
-
(1997)
J. Phys.: Condens. Matter
, vol.9
, pp. 6241-6246
-
-
Marcus, P.M.1
Jona, F.2
-
16
-
-
0034908165
-
Structural properties of copper
-
Jona F., Marcus P.M. Structural properties of copper. Phys. Rev. B. 63:2001;094113-1-094113-8.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 0941131-0941138
-
-
Jona, F.1
Marcus, P.M.2
-
17
-
-
10644250257
-
Structural properties of copper
-
Hohenberg P., Kohn W. Structural properties of copper. Phys. Rev. 136:1964;B864-B871.
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
18
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn W., Sham L.J. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140:1965;A1133-A1138.
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
19
-
-
0001089867
-
Cohesion and lattice stabilities in the 5d transition metals: Full versus muffin-tin potentials
-
Fernando G.W., Watson R.E., Weinert M., Wang Y.J., Davenport J.W. Cohesion and lattice stabilities in the 5d transition metals: full versus muffin-tin potentials. Phys. Rev. B. 41:1990;11813-11821.
-
(1990)
Phys. Rev. B
, vol.41
, pp. 11813-11821
-
-
Fernando, G.W.1
Watson, R.E.2
Weinert, M.3
Wang, Y.J.4
Davenport, J.W.5
-
20
-
-
0000257218
-
Phonon-phonon coupling and the stability of the high-temperature bcc phase of Zr
-
Ye Y.Y., Chen Y., Ho K.M., Harmon B.N., Lindgard P.A. Phonon-phonon coupling and the stability of the high-temperature bcc phase of Zr. Phys. Rev. Lett. 58:1987;1769-1772.
-
(1987)
Phys. Rev. Lett.
, vol.58
, pp. 1769-1772
-
-
Ye, Y.Y.1
Chen, Y.2
Ho, K.M.3
Harmon, B.N.4
Lindgard, P.A.5
-
22
-
-
0000669688
-
Evidences of transitory metastable phases in refractory metals solidified from highly undercooled liquids in a drop tube
-
Cortella L., Vinet B., Desré P.J., Pasturel A., Paxton A.T., von Schilfgaarde M. Evidences of transitory metastable phases in refractory metals solidified from highly undercooled liquids in a drop tube. Phys. Rev. Lett. 70:1993;1469-1472.
-
(1993)
Phys. Rev. Lett.
, vol.70
, pp. 1469-1472
-
-
Cortella, L.1
Vinet, B.2
Desré, P.J.3
Pasturel, A.4
Paxton, A.T.5
Von Schilfgaarde, M.6
-
23
-
-
0000657905
-
Effects of anharmonic strain on the phase stability of epitaxial films and superlattices: Applications to noble metals
-
Ozoliņš V., Wolverton C., Zunger A. Effects of anharmonic strain on the phase stability of epitaxial films and superlattices: applications to noble metals. Phys. Rev. B. 57:1998;4816-4828.
-
(1998)
Phys. Rev. B
, vol.57
, pp. 4816-4828
-
-
Ozoliņš, V.1
Wolverton, C.2
Zunger, A.3
-
26
-
-
0031146506
-
Local stability of higher-energy phases in metallic materials and its relation to the structure of extended defects
-
Šob M., Wang L.G., Vitek V. Local stability of higher-energy phases in metallic materials and its relation to the structure of extended defects. Comput. Mater. Sci. 8:1997;100-106.
-
(1997)
Comput. Mater. Sci.
, vol.8
, pp. 100-106
-
-
Šob, M.1
Wang, L.G.2
Vitek, V.3
-
27
-
-
0001172523
-
The fcc-bcc structural transition: I. A band theoretical study for Li, K, Rb, Ca, Sr, and the transition metals Ti and V
-
Sliwko V.L., Mohn P., Schwarz K., Blaha P. The fcc-bcc structural transition: I. A band theoretical study for Li, K, Rb, Ca, Sr, and the transition metals Ti and V. J. Phys.: Condens. Matter. 8:1996;799-816.
-
(1996)
J. Phys.: Condens. Matter
, vol.8
, pp. 799-816
-
-
Sliwko, V.L.1
Mohn, P.2
Schwarz, K.3
Blaha, P.4
-
28
-
-
0025446594
-
Full-potential, linearized augmented plane wave programs for crystalline systems
-
Computer code WIEN97, Vienna University of Technology, 1997, Improved and updated Unix version of the original copyrighted WIEN code, P. Blaha, K. Schwarz, P. Sorantin, S.B. Trickey
-
Blaha P., Schwarz K., Luitz J. Computer code WIEN97. 1997;Vienna University of Technology. Improved and updated Unix version of the original copyrighted WIEN code, P. Blaha, K. Schwarz, P. Sorantin, S.B. Trickey, Full-potential, linearized augmented plane wave programs for crystalline systems, Comput. Phys. Commun. 59 (1990) 399-415.
-
(1990)
Comput. Phys. Commun.
, vol.59
, pp. 399-415
-
-
Blaha, P.1
Schwarz, K.2
Luitz, J.3
-
29
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation energy
-
Perdew J.P., Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B. 45:1992;13244-13249.
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
30
-
-
33744691386
-
Ground state of the electron gas by a stochastic method
-
Ceperly D.M., Alder B.J. Ground state of the electron gas by a stochastic method. Phys. Rev. Lett. 45:1980;566-569.
-
(1980)
Phys. Rev. Lett.
, vol.45
, pp. 566-569
-
-
Ceperly, D.M.1
Alder, B.J.2
-
31
-
-
0000849811
-
Theoretical model for the hcp-bcc transition in Mg
-
Wentzcovitch R.M., Cohen M.L. Theoretical model for the hcp-bcc transition in Mg. Phys. Rev. B. 37:1988;5571-5576.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 5571-5576
-
-
Wentzcovitch, R.M.1
Cohen, M.L.2
-
32
-
-
0032634409
-
A study of the applicability of many-body central force potentials in NiAl and TiAl
-
Paidar V., Wang L.G., Šob M., Vitek V. A study of the applicability of many-body central force potentials in NiAl and TiAl. Model. Simul. Mater. Sci. Engng. 7:1999;369-381.
-
(1999)
Model. Simul. Mater. Sci. Engng
, vol.7
, pp. 369-381
-
-
Paidar, V.1
Wang, L.G.2
Šob, M.3
Vitek, V.4
-
33
-
-
0001042810
-
Structural stability of higher-energy phases and its relation to the atomic configurations of extended defects: The example of Cu
-
Wang L.G., Šob M. Structural stability of higher-energy phases and its relation to the atomic configurations of extended defects: the example of Cu. Phys. Rev. B. 60:1999;844-850.
-
(1999)
Phys. Rev. B
, vol.60
, pp. 844-850
-
-
Wang, L.G.1
Šob, M.2
-
34
-
-
0000328216
-
Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monoatomic metals
-
Mehl M.J., Papaconstantopoulos D.A. Applications of a tight-binding total-energy method for transition and noble metals: elastic constants, vacancies, and surfaces of monoatomic metals. Phys. Rev. B. 54:1996;4519-4530.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 4519-4530
-
-
Mehl, M.J.1
Papaconstantopoulos, D.A.2
-
35
-
-
0034905673
-
Structural stability and lattice defects in copper: Ab inition, tight-binding, and embedded-atom calculations
-
Mishin Y., Mehl M.J., Papaconstantopoulos D.A., Voter A.F., Kress J.D. Structural stability and lattice defects in copper: ab inition, tight-binding, and embedded-atom calculations. Phys. Rev. B. 63:2001;224106-1-224106-16.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 2241061-22410616
-
-
Mishin, Y.1
Mehl, M.J.2
Papaconstantopoulos, D.A.3
Voter, A.F.4
Kress, J.D.5
-
36
-
-
0000484342
-
Interatomic potentials for monoatomic metals from experimental data and ab initio calculations
-
Mishin Y., Farkas D., Mehl J., Papaconstantopoulos D.A. Interatomic potentials for monoatomic metals from experimental data and ab initio calculations. Phys. Rev. B. 59:1999;3393-3407.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 3393-3407
-
-
Mishin, Y.1
Farkas, D.2
Mehl, J.3
Papaconstantopoulos, D.A.4
-
37
-
-
0035794648
-
Novel γ-phase of titanium metal at megabar pressures
-
Vohra Y.K., Spencer P.T. Novel γ-phase of titanium metal at megabar pressures. Phys. Rev. Lett. 86:2001;3068-3071.
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 3068-3071
-
-
Vohra, Y.K.1
Spencer, P.T.2
-
39
-
-
0013169521
-
Variation of elastic shear constants in transition metal alloys
-
June 30-July 5, Estoril/Cascais, Portugal, to be published
-
G. Grimvall, Variation of elastic shear constants in transition metal alloys, Proceedings of Third International Alloy Conference: An Interdisciplinary Approach to the Science of Alloys in Metals, Minerals and Other Materials Systems, June 30-July 5, 2002, Estoril/Cascais, Portugal, to be published.
-
(2002)
Proceedings of Third International Alloy Conference: An Interdisciplinary Approach to the Science of Alloys in Metals, Minerals and Other Materials Systems
-
-
Grimvall, G.1
-
40
-
-
0000513989
-
Reconciling ab initio and semiempirical approaches to lattice stabilities
-
Grimvall G. Reconciling ab initio and semiempirical approaches to lattice stabilities. Ber. Bunsenges. Phys. Chem. 102:1998;1083-1087.
-
(1998)
Ber. Bunsenges. Phys. Chem.
, vol.102
, pp. 1083-1087
-
-
Grimvall, G.1
-
42
-
-
0642264197
-
Phase stabilities in the Pt-W system: Thermodynamic and electronic-structure calculations
-
Fernández Guillermet A., Ozoliņš V., Grimvall G., Körling M. Phase stabilities in the Pt-W system: thermodynamic and electronic-structure calculations. Phys. Rev. B. 51:1995;10364-10374.
-
(1995)
Phys. Rev. B
, vol.51
, pp. 10364-10374
-
-
Fernández Guillermet, A.1
Ozoliņš, V.2
Grimvall, G.3
Körling, M.4
-
43
-
-
4143082291
-
Free energy contributions to the hcp-bcc transformation in transition metals
-
Moroni E.G., Grimvall G., Jarlborg T. Free energy contributions to the hcp-bcc transformation in transition metals. Phys. Rev. Lett. 76:1996;2758-2761.
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 2758-2761
-
-
Moroni, E.G.1
Grimvall, G.2
Jarlborg, T.3
-
44
-
-
0141585790
-
Electronic growth of metallic overlayers on semiconductor substrates
-
Zhang Z.Y., Niu Q., Shih C.-K. Electronic growth of metallic overlayers on semiconductor substrates. Phys. Rev. Lett. 80:1998;5381-5384.
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 5381-5384
-
-
Zhang, Z.Y.1
Niu, Q.2
Shih, C.-K.3
-
45
-
-
0030887637
-
Atomistic processes in the early stages of thin-film growth
-
Zhang Z.Y., Lagally M.G. Atomistic processes in the early stages of thin-film growth. Science. 276:1997;377-383.
-
(1997)
Science
, vol.276
, pp. 377-383
-
-
Zhang, Z.Y.1
Lagally, M.G.2
-
46
-
-
21544467378
-
Effect of surface tension on the growth mode of highly strained InGaAs on GaAs(100)
-
Snyder C.W., Orr B.G., Munekata H. Effect of surface tension on the growth mode of highly strained InGaAs on GaAs(100). Appl. Phys. Lett. 62:1993;46-48.
-
(1993)
Appl. Phys. Lett.
, vol.62
, pp. 46-48
-
-
Snyder, C.W.1
Orr, B.G.2
Munekata, H.3
-
47
-
-
51249188000
-
An FIM-atom probe study of the precipitation of copper from iron-1.4 at. pct copper: I. Field-ion microscopy
-
Goodman S.R., Brenner S.S., Low J.R. An FIM-atom probe study of the precipitation of copper from iron-1.4 at. pct copper: I. Field-ion microscopy. Metall. Trans. 4:1973;2363-2369.
-
(1973)
Metall. Trans.
, vol.4
, pp. 2363-2369
-
-
Goodman, S.R.1
Brenner, S.S.2
Low, J.R.3
-
48
-
-
0000807354
-
Prediction and observation of the bcc structure in pure copper at a Σ 3 grain boundary
-
Schmidt C., Ernst F., Finnis M.W., Vitek V. Prediction and observation of the bcc structure in pure copper at a Σ 3 grain boundary. Phys. Rev. Lett. 75:1995;2160-2163.
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 2160-2163
-
-
Schmidt, C.1
Ernst, F.2
Finnis, M.W.3
Vitek, V.4
-
49
-
-
0035134906
-
Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers
-
Friák M., Šob M., Vitek V. Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers. Phys. Rev. B. 63:2001;052405-1-052405-4.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 0524051-0524054
-
-
Friák, M.1
Šob, M.2
Vitek, V.3
-
50
-
-
0000079495
-
Theory of magnetic and structural ordering in iron
-
Wang C.S., Klein B.M., Krakauer H. Theory of magnetic and structural ordering in iron. Phys. Rev. Lett. 54:1985;1852-1855.
-
(1985)
Phys. Rev. Lett.
, vol.54
, pp. 1852-1855
-
-
Wang, C.S.1
Klein, B.M.2
Krakauer, H.3
|