First-principles total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl.
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Biomedical subjects
AJ Freeman
Publications and source records attributed to AJ Freeman.
Self-consistent relativistic full-potential Korringa-Kohn-Rostoker total-energy method and applications.
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First-principles determination of the tensile and slip energy barriers for B2 NiAl and FeAl.
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Structure and surface kinetics of bismuth adsorption on Si(001).
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Pressure-induced phonon softening and electronic topological transition in HgBa2CuO4.
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Torque method for the theoretical determination of magnetocrystalline anisotropy.
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Influence of growth direction and strain conditions on the band lineup at GaSb/InSb and InAs/InSb interfaces.
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Overlayer-induced anomalous interface magnetocrystalline anisotropy in ultrathin Co films.
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Quadruple perovskites L'L"Ba2Cu2Ti2O11 as good candidates for high-temperature superconductors: Role of oxygen defects.
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Effects of carbon on Fe-grain-boundary cohesion: First-principles determination.
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Bonding mechanism at bimetallic interfaces: Pd overlayer on various substrates.
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Effects of epitaxial strain and ordering direction on the electronic properties of GaSb/InSb and InAs/InSb superlattices.
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High-resolution structural study of Bi on Si(001).
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Predicted c(2 x 2) buckling reconstruction of monolayer Mn on Fe(001) and its importance to the interfacial magnetic ordering.
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Structure and bonding at metal-ceramic interfaces: Ag/CdO(001).
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Self-consistent full-potential total-energy Korringa-Kohn-Rostoker band-structure method: Application to silicon.
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Electronic structure of superconductors without apical oxygen: Sr2CuO2F2, Sr2CuO2Cl2, and Ca2CuO2Cl2.
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Metal-ceramic interfaces: Overlayer-induced reconstruction and magnetism of 4d transition-metal monolayers.
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