| 1. |
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| 2. |
- Abrikosov, IA, et al.
(author)
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Applicability of the coherent-potential approximation in the theory of random alloys
- 1998
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 57:22, s. 14164-14173
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Journal article (other academic/artistic)abstract
- The applicability of the coherent-potential approximation (CPA) for the description of electronic properties of completely random alloys is investigated. This is done by calculating the density of states and the total energy for different systems and by c
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| 3. |
- Abrikosov, IA, et al.
(author)
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Application of O(N) LSGF method for calculation of systems with non-collinear magnetic configurations
- 1998
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In: PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES. - : TAYLOR & FRANCIS LTD. - 0141-8637. ; 78:5-6, s. 481-485
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Journal article (other academic/artistic)abstract
- We discuss an extension of the locally self-consistent Green's function method (LSGF) to the case of large magnetic systems with arbitrary orientations of local spin moments. The LSGF method is an order-N, O(N), method for calculation of the electronic st
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| 4. |
- Abrikosov, IA, et al.
(author)
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Locally self-consistent Green's function approach to the electronic structure problem
- 1997
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 56:15, s. 9319-9334
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Journal article (other academic/artistic)abstract
- The locally self-consistent Green's function (LSGF) method is an order-N method for calculation of the electronic structure of systems with an arbitrary distribution of atoms of different kinds on an underlying crystal lattice. For each atom Dyson's equat
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| 5. |
- Abrikosov, IA, et al.
(author)
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Magnetically induced crystal structure and phase stability in Fe1-cCoc
- 1996
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 54:5, s. 3380-3384
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Journal article (other academic/artistic)abstract
- We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good
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| 6. |
- Abrikosov, IA, et al.
(author)
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Order-N Green's function technique for local environment effects in alloys
- 1996
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In: PHYSICAL REVIEW LETTERS. - : AMER INST PHYSICS. ; 76:22, s. 4203-4206
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Journal article (other academic/artistic)abstract
- We have developed a new approach to the calculations of ground state properties of large crystalline systems with arbitrary atomic configurations based on a Green's function technique in conjunction with a self-consistent effective medium for the underlyi
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| 7. |
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| 8. |
- Abrikosov, IA, et al.
(author)
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Total energy calculations of random alloys: Supercell, Connolly-Williams, and CPA methods
- 1998
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In: COMPUTATIONAL MATERIALS SCIENCE. - : ELSEVIER SCIENCE BV. - 0927-0256. ; 10:1-4, s. 302-305
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Journal article (other academic/artistic)abstract
- We compare the results of total energy calculations obtained by three most popular methods, the supercell method, the Connolly-Williams (CW) method, and the coherent potential approximation (CPA). As a reference we use the result for a supercell of 256 at
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| 9. |
- Ahuja, R, et al.
(author)
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A theoretical study of the pressure-induced structural phase transition in CdTe
- 1997
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In: PHYSICA STATUS SOLIDI B-BASIC RESEARCH. - : AKADEMIE VERLAG GMBH. - 0370-1972. ; 199:1, s. 75-79
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Journal article (other academic/artistic)abstract
- We have performed first-principles, full-potential linear muffin-tin-orbital (FPLMTO) calculations to study the structural phase transition in CdTe under pressure. By calculating the total energies of different phases we have shown that CdTe shows the fol
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| 10. |
- AHUJA, R, et al.
(author)
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ANISOTROPIC DIELECTRIC RESPONSE OF FERROMAGNETIC COBALT
- 1995
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In: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS. - : ELSEVIER SCIENCE BV. - 0304-8853. ; 140, s. 89-90
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Journal article (other academic/artistic)abstract
- A self-consistent electronic structure for hexagonal close-packed ferromagnetic cobalt is obtained through the linear muffin tin orbital (LMTO) method. Using the derived band scheme, the frequency (omega) dependent dielectric function for the electric fie
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