Abstract
Ground-state electronic and structural properties of Lu under pressure are investigated with use of the self-consistent all-electron total-energy linear muffin-tin orbital band-structure method within a local-density-functional approximation. Pressure-induced structural transitions are found to occur in the following sequence: hcp(Sm-type)dhcpfcc, which is the same as that observed in the crystal structures of the trivalent rare-earth metals with decreasing atomic number. This structural transition is correlated with the increase in the number of d electrons under pressure.
| Original language | English |
|---|---|
| Pages (from-to) | 654-658 |
| Number of pages | 5 |
| Journal | Physical Review B |
| Volume | 34 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1986 |
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ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Electronic and structural properties of Lu under pressure : Relation to structural phases of the rare-earth metals. / Min, B. I.; Oguchi, T.; Jansen, H. J F; Freeman, Arthur J.
In: Physical Review B, Vol. 34, No. 2, 1986, p. 654-658.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Electronic and structural properties of Lu under pressure
T2 - Relation to structural phases of the rare-earth metals
AU - Min, B. I.
AU - Oguchi, T.
AU - Jansen, H. J F
AU - Freeman, Arthur J
PY - 1986
Y1 - 1986
N2 - Ground-state electronic and structural properties of Lu under pressure are investigated with use of the self-consistent all-electron total-energy linear muffin-tin orbital band-structure method within a local-density-functional approximation. Pressure-induced structural transitions are found to occur in the following sequence: hcp(Sm-type)dhcpfcc, which is the same as that observed in the crystal structures of the trivalent rare-earth metals with decreasing atomic number. This structural transition is correlated with the increase in the number of d electrons under pressure.
AB - Ground-state electronic and structural properties of Lu under pressure are investigated with use of the self-consistent all-electron total-energy linear muffin-tin orbital band-structure method within a local-density-functional approximation. Pressure-induced structural transitions are found to occur in the following sequence: hcp(Sm-type)dhcpfcc, which is the same as that observed in the crystal structures of the trivalent rare-earth metals with decreasing atomic number. This structural transition is correlated with the increase in the number of d electrons under pressure.
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UR - http://www.scopus.com/inward/citedby.url?scp=24544456058&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.34.654
DO - 10.1103/PhysRevB.34.654
M3 - Article
VL - 34
SP - 654
EP - 658
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 2
ER -