This title appears in the Scientific Report :
2003
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.67.104417 in citations.
Please use the identifier: http://hdl.handle.net/2128/1569 in citations.
Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems
Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems
We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, and Mn with the sp elements N, P, As, Sb, S, Se, and Te, motivated by a recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show a ferromagnetic half-metallic behavio...
Saved in:
Personal Name(s): | Galanakis, I. |
---|---|
Mavropoulos, T. B. | |
Contributing Institute: |
Theorie III; IFF-TH-III |
Published in: | Physical Review B Physical review / B, 67 67 (2003 2003) 10 10, S. 104417 104417 |
Imprint: |
College Park, Md.
APS
2003
|
Physical Description: |
104417 |
DOI: |
10.1103/PhysRevB.67.104417 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Physical Review B
67 |
Subject (ZB): | |
Link: |
Get full text OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/1569 in citations.
We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, and Mn with the sp elements N, P, As, Sb, S, Se, and Te, motivated by a recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show a ferromagnetic half-metallic behavior for a wide range of lattice constants. We discuss the origin and trends of half-metallicity, present the calculated equilibrium lattice constants, and examine the half-metallic behavior of their transition element terminated (001) surfaces. |