Magnetic Overlayers on Pd(001)

We present full-potential linearized augmented-plane-wave calculations for monolayers of the entire transition-metal series (V, Cr, Mn, Fe, Co, Ni) on the Pd(001) surface. The ferromagnetic Ni, Co, Fe, and Mn overlayers show a particularly simple behavior characterized by a filled majority band. For the V, Cr, and Mn overlayers we find an antiferromagnetic c(2 × 2) superstructure to be lower in energy than the ferromagnetic p(1 × 1) structure. From strong analogies to the interaction of impurities we speculate that a similar behavior should also be found on the (001) surfaces of Pt and the noble metals. Preliminary results for ferromagnetic overlayer on Ag(001) are briefly discussed.

[1]  Blügel,et al.  Ferromagnetism and antiferromagnetism of 3d-metal overlayers on metals. , 1988, Physical review letters.

[2]  C. Binns,et al.  Electron spectroscopy study of ultra-thin layers of Cr on Ag(100) , 1987 .

[3]  Purcell,et al.  Ferromagnetic-resonance study of ultrathin bcc Fe(100) films grown epitaxially on fcc Ag(100) substrates. , 1987, Physical review letters.

[4]  A. Freeman,et al.  Strongly enhanced 2D magnetism at surfaces and interfaces (invited) , 1987 .

[5]  Walker,et al.  Spin-polarized photoemission study of epitaxial Fe(001) films on Ag(001). , 1986, Physical review letters.

[6]  Oswald,et al.  Giant moments in palladium. , 1986, Physical review letters.

[7]  P. Dederichs,et al.  Interaction of local moments in Cu , 1986 .

[8]  Richter,et al.  Spin separation in a metal overlayer. , 1985, Physical review letters.

[9]  Fu,et al.  Prediction of strongly enhanced two-dimensional ferromagnetic moments on metallic overlayers, interfaces, and superlattices. , 1985, Physical review letters.

[10]  P. J. Braspenning,et al.  Interaction of magnetic impurities in Cu and Ag , 1985 .

[11]  J. Bernholc,et al.  Local Spin-Density Description of Multiple Metal-Metal Bonding: Mo 2 and Cr 2 , 1983 .

[12]  B. Delley,et al.  Metal-metal bonding in Cr-Cr and Mo-Mo dimers: Another success of local spin-density theory , 1983 .

[13]  Erich Wimmer,et al.  Total-energy all-electron density functional method for bulk solids and surfaces , 1982 .

[14]  A. Freeman,et al.  Electronic structure and magnetism of Ni overlayers on a Cu(001) substrate , 1982 .

[15]  M. Weinert,et al.  MAGNETISM AT SURFACES AND INTERFACES. , 1982 .

[16]  Erich Wimmer,et al.  Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O 2 molecule , 1981 .

[17]  A. Freeman,et al.  Abstract: Magnetism of Ni overlayers on a Cu(001) substrate , 1981 .

[18]  C. D. Gelatt,et al.  Covalent magnetism: An alternative to the Stoner model , 1981 .

[19]  A. Freeman,et al.  Surface magnetism of a Ni overlayer on a Cu(001) substrate , 1981 .

[20]  J. Kübler.  Calculated magnetic moment of δ-manganese , 1980 .

[21]  R. O. Jones,et al.  Density functional theory and molecular bonding. III. Iron‐series dimers , 1979 .

[22]  L. Hedin,et al.  A local exchange-correlation potential for the spin polarized case. i , 1972 .