# Screened exact exchange functional calculations of the spin-wave dispersion in transition metals

## Abstract

The screened ''exact'' nonlocal exchange approach is applied to the calculation of magnetic susceptibility of transition metals, particularly to the calculation of spin-wave dispersion. We discuss the choice of an appropriate approach and aspects of linear muffin-tin orbital-atomic sphere approximation (ASA) calculations, in particular calculation of the Green function in the three-center approximation. We calculated transverse spin-wave frequencies in Fe with the local density approximation and with the nonlocal functional using both the ''frozen'' magnon method and calculation of bound state energies (corresponding to spin-wave excitations). (c) 2000 American Institute of Physics.

- Authors:

- Ames Laboratory, Iowa State University, Iowa 50011 (United States)

- Publication Date:

- OSTI Identifier:
- 20216222

- Resource Type:
- Journal Article

- Journal Name:
- Journal of Applied Physics

- Additional Journal Information:
- Journal Volume: 87; Journal Issue: 9; Other Information: PBD: 1 May 2000; Journal ID: ISSN 0021-8979

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 36 MATERIALS SCIENCE; SPIN WAVES; EXCHANGE INTERACTIONS; TRANSITION ELEMENTS; MAGNETIC SUSCEPTIBILITY; DISPERSION RELATIONS; MUFFIN-TIN POTENTIAL; GREEN FUNCTION; IRON; BOUND STATE; THEORETICAL DATA

### Citation Formats

```
Zein, N. E., Antropov, V. P., and Harmon, B. N.
```*Screened exact exchange functional calculations of the spin-wave dispersion in transition metals*. United States: N. p., 2000.
Web. doi:10.1063/1.373254.

```
Zein, N. E., Antropov, V. P., & Harmon, B. N.
```*Screened exact exchange functional calculations of the spin-wave dispersion in transition metals*. United States. doi:10.1063/1.373254.

```
Zein, N. E., Antropov, V. P., and Harmon, B. N. Mon .
"Screened exact exchange functional calculations of the spin-wave dispersion in transition metals". United States. doi:10.1063/1.373254.
```

```
@article{osti_20216222,
```

title = {Screened exact exchange functional calculations of the spin-wave dispersion in transition metals},

author = {Zein, N. E. and Antropov, V. P. and Harmon, B. N.},

abstractNote = {The screened ''exact'' nonlocal exchange approach is applied to the calculation of magnetic susceptibility of transition metals, particularly to the calculation of spin-wave dispersion. We discuss the choice of an appropriate approach and aspects of linear muffin-tin orbital-atomic sphere approximation (ASA) calculations, in particular calculation of the Green function in the three-center approximation. We calculated transverse spin-wave frequencies in Fe with the local density approximation and with the nonlocal functional using both the ''frozen'' magnon method and calculation of bound state energies (corresponding to spin-wave excitations). (c) 2000 American Institute of Physics.},

doi = {10.1063/1.373254},

journal = {Journal of Applied Physics},

issn = {0021-8979},

number = 9,

volume = 87,

place = {United States},

year = {2000},

month = {5}

}

DOI: 10.1063/1.373254

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