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ヤマガミ ヒロシ
YAMAGAMI HIROSHI
山上 浩志 所属 京都産業大学 理学部 物理科学科 職種 教授 |
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| 言語種別 | 英語 |
| 発行・発表の年月 | 1998/09 |
| 形態種別 | 研究論文 |
| 査読 | 査読あり |
| 標題 | All-electron spin-polarized relativistic linearized APW method: Electronic and magnetic properties of BCC Fe, HCP Gd and uranium monochalcogenides |
| 執筆形態 | その他 |
| 掲載誌名 | JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN |
| 出版社・発行元 | PHYSICAL SOC JAPAN |
| 巻・号・頁 | 67(9),pp.3176-3190 |
| 著者・共著者 | H Yamagami |
| 概要 | The linearized-augmented-plane-wave (LAPW) method is generalized to case of an all-electron fully-relativistic spin-polarized self-consistent hand calculation based on the relativistic spin-density functional theory. Inside spheres around nuclei: the Bloch function is expanded by spherical-symmetry bases and their energy-derivatives, each of which is solved by the corresponding spin-polarized coupled Dirac equation (SPCDE) including a coupling of j = l - 1/2 with j = l+1/2 partial state through the magnetic field. In the interstitial region, the relativistic plane wave is used as a conventional basis function. The core states inside the spheres are treated on the same footing of the SPCDE in all iterative processes. This band theory is applied to BCC Fe, HCP Gd and uranium monochalcogenides US, USe and UTe as an interesting example of the ferromagnetic 3d, 4f and 5f systems, respectively. The electronic hand structures are shown together with the spin and orbital moments. |
| DOI | 10.1143/JPSJ.67.3176 |
| ISSN | 0031-9015 |