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- Currently displaying 181 - 200 of 213 publications
Pentaprismane and hypostrophene from first-principles, with plane waves
Chemical Physics Letters
(2000)
317
381
Adsorbate/substrate bonding in Co{1010}/K-c(2 X 2) elucidated through first-principles theory
Chemical Physics Letters
(2000)
317
372
Characterization of the (formula presented) surface using lattice dynamics
Physical Review B Condensed Matter and Materials Physics
(1999)
60
10648
(doi: 10.1103/physrevb.60.10648)
First-principles theoretical studies of the structural, electronic and magnetic properties of Co{10(1)over-bar-0}-A
Chemical Physics Letters
(1999)
309
434
Theoretical evidence concerning mixed dimer growth on the surface
Journal of Physics: Condensed Matter
(1999)
8
6641
(doi: 10.1088/0953-8984/8/36/016)
Comparative ab initio pseudopotential studies of group V overlayers on Si(001)
Journal of Physics: Condensed Matter
(1999)
10
7751
(doi: 10.1088/0953-8984/10/35/009)
An ab initio pseudopotential calculation of ground-state and excited-state properties of gallium nitride
Journal of Physics Condensed Matter
(1999)
6
8781
(doi: 10.1088/0953-8984/6/42/010)
Vibrational properties of Ge- and Sb-adsorbed Si(001) surfaces
Physical Review B Condensed Matter and Materials Physics
(1998)
58
10754
(doi: 10.1103/physrevb.58.10754)
A study of atomic vibrations on Si(001)/Sb(2x1)
Surface Science
(1998)
402
42
Ab-initio density functional calculations for Si(001)/Bi(1ML)-(2x1)
Surface Science
(1998)
402-404
641
Structure and stability of the Si(001) c(4×4)-Sb surface
Physical Review B Condensed Matter and Materials Physics
(1998)
57
r12701
(doi: 10.1103/PhysRevB.57.R12701)
Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4x4)
Surface Science
(1998)
402-404
645
Structure and energetics of segregated and nonsegregated Ge(001)/Si(2×1)
Physical Review B Condensed Matter and Materials Physics
(1998)
57
8794
(doi: 10.1103/physrevb.57.8794)
Atomic geometry, electronic structure, and vibrational properties of the Ge(001)(2×1) surface
Physical Review B
(1998)
57
4649
(doi: 10.1103/PhysRevB.57.4649)
Structural studies of Si(001)/Sb(0.25 ML)-c(4x4)
Applied Surface Science
(1998)
123-124
48
Thermodynamic evidence for surfactant behaviour of Sb in the growth of Ge on Si(001)
Surface Science
(1998)
398
L308
A study of atomic vibrations on Si(001)(2 × 1)-Ge
Applied Surface Science
(1998)
123-124
151
Atomic structure of the GaAs(001)-β2(2 × 4) surface
Surface Review and Letters
(1998)
5
219
(doi: 10.1142/s0218625x98000402)
