| 1. |
- Ahuja, R, et al.
(author)
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Electronic structure of Ti3SiC2
- 2000
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In: APPLIED PHYSICS LETTERS. - : AMER INST PHYSICS. - 0003-6951. ; 76:16, s. 2226-2228
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Journal article (peer-reviewed)abstract
- We have investigated the electronic structure of Ti3SiC2 by means of first-principles self-consistent total-energy calculations within the local-density approximation using the full-potential linear-muffin-tin-orbital method. Our calculated volume is in g
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| 2. |
- Niklasson, AMN, et al.
(author)
-
Spin density waves in Cr/Mo films - art. no. 104417
- 2001
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In: PHYSICAL REVIEW B. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 6310:10, s. 4417-+ Language: English
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Journal article (peer-reviewed)abstract
- The energetics of spin density waves (SDW's) in Mo/Cr-N/Mo bcc (001) films has been investigated by means of first-principles density-functional theory. As the film thickness N is increased, a phase transition from a paramagnetic state to a SDW state occu
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| 3. |
- Soderlind, P, et al.
(author)
-
Delocalization and new phase in americium: Density-functional electronic structure calculations
- 2000
-
In: PHYSICAL REVIEW B. - : AMERICAN PHYSICAL SOC. - 1098-0121. ; 61:12, s. 8119-8124 Language: English
-
Journal article (peer-reviewed)abstract
- Density-functional electronic structure calculations have been used to investigate the high pressure behavior of Am. At about 80 kbar (8 GPa) calculations reveal a monoclinic phase similar to the ground state structure of plutonium (alpha-Pu). The experim
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