Comments on the qualitative theory of surface states of transition metals

1979 ◽  
Vol 29 (8) ◽  
pp. 933-938 ◽  
Author(s):  
M. Tomášek ◽  
Š. Pick
2016 ◽  
Vol 94 (15) ◽  
Author(s):  
Danny Thonig ◽  
Tomáš Rauch ◽  
Hossein Mirhosseini ◽  
Jürgen Henk ◽  
Ingrid Mertig ◽  
...  

2018 ◽  
Vol 20 (31) ◽  
pp. 20548-20554 ◽  
Author(s):  
Lorena Vega ◽  
Biel Martínez ◽  
Francesc Viñes ◽  
Francesc Illas

The d-band centre comes back from the dead being the most consistent of the main electronic descriptors, due to its excellent transferability between five density functionals. The robustness previously observed for bulk is here evaluated for transition metal surfaces and if large surface states are not involved, a direct relation with the coordination number is disclosed.


1993 ◽  
Vol 293 (1-2) ◽  
pp. L853-L856 ◽  
Author(s):  
Yu. Suchorski ◽  
W.A. Schmidt ◽  
J.H. Block ◽  
V.K. Medvedev

1975 ◽  
Vol 53 (1) ◽  
pp. 429-442 ◽  
Author(s):  
M.C. Desjonquères ◽  
F. Cyrot-Lackmann

1980 ◽  
Vol 45 (5) ◽  
pp. 1317-1322 ◽  
Author(s):  
Mojmír Tomášek ◽  
Štěpán Pick ◽  
Karlheinz Schwarz

Qualitative theory of Shockley surface states is applied to the analysis of the (111) surface of the niobium carbide crystal. The existence of Shockley states is predicted in two hybridizational gaps. One of (p, t2g) character lies just below the Fermi energy and the other of (eg, t2g) character is at higher energies. The relation between Shockey states and bonding is discussed. A strong (p, t2g) covalent component of the metal-nonmetal bond is found.


2003 ◽  
Vol 45 (3) ◽  
pp. 590-597 ◽  
Author(s):  
D. V. Chudinov ◽  
S. E. Kul’kova ◽  
I. Yu. Smolin

1975 ◽  
Vol 36 (2) ◽  
pp. 45-47 ◽  
Author(s):  
M.C. Desjonquères ◽  
F. Cyrot-Lackmann

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