Electronic Structure of YC x
The band structures of YC x for concentrations x ‐ 1.0, 0.8, 0.7, and 0.6 are calculated using the coherent‐potential approximation (CPA) in the linear combination of atomic orbitals (LCAO) basis. The LCAO Hamiltonian is derived from augmented plane wave (APW) calculations performed for a hypothetic...
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| Veröffentlicht in: | physica status solidi (b) 1984-02, Vol.121 (2), p.583-588 |
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| container_title | physica status solidi (b) |
| container_volume | 121 |
| creator | Ivashchenko, V. I. Lisenko, A. A. Zhurakovskii, E. A. |
| description | The band structures of YC
x
for concentrations
x
‐ 1.0, 0.8, 0.7, and 0.6 are calculated using the coherent‐potential approximation (CPA) in the linear combination of atomic orbitals (LCAO) basis. The LCAO Hamiltonian is derived from augmented plane wave (APW) calculations performed for a hypothetical stoichiometric compound with
x
‐ 1.0. The results reveal that YC
x
is most stable for about 42 at% C. Most of the theoretical values are compared with experimental data.
[Russian Text Ignored]. |
| doi_str_mv | 10.1002/pssb.2221210216 |
| format | Article |
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x
for concentrations
x
‐ 1.0, 0.8, 0.7, and 0.6 are calculated using the coherent‐potential approximation (CPA) in the linear combination of atomic orbitals (LCAO) basis. The LCAO Hamiltonian is derived from augmented plane wave (APW) calculations performed for a hypothetical stoichiometric compound with
x
‐ 1.0. The results reveal that YC
x
is most stable for about 42 at% C. Most of the theoretical values are compared with experimental data.
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x
for concentrations
x
‐ 1.0, 0.8, 0.7, and 0.6 are calculated using the coherent‐potential approximation (CPA) in the linear combination of atomic orbitals (LCAO) basis. The LCAO Hamiltonian is derived from augmented plane wave (APW) calculations performed for a hypothetical stoichiometric compound with
x
‐ 1.0. The results reveal that YC
x
is most stable for about 42 at% C. Most of the theoretical values are compared with experimental data.
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x
for concentrations
x
‐ 1.0, 0.8, 0.7, and 0.6 are calculated using the coherent‐potential approximation (CPA) in the linear combination of atomic orbitals (LCAO) basis. The LCAO Hamiltonian is derived from augmented plane wave (APW) calculations performed for a hypothetical stoichiometric compound with
x
‐ 1.0. The results reveal that YC
x
is most stable for about 42 at% C. Most of the theoretical values are compared with experimental data.
[Russian Text Ignored].</abstract><doi>10.1002/pssb.2221210216</doi><tpages>6</tpages></addata></record> |
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| identifier | ISSN: 0370-1972 |
| ispartof | physica status solidi (b), 1984-02, Vol.121 (2), p.583-588 |
| issn | 0370-1972 1521-3951 |
| language | eng |
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| source | Access via Wiley Online Library |
| title | Electronic Structure of YC x |
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