Transition-metal dioxides with a bulk modulus comparable to diamond

被引:60
作者
Lundin, U
Fast, L
Nordstrom, L
Johansson, B
Wills, JM
Eriksson, O
机构
[1] Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden
[2] Univ Calif Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA
来源
PHYSICAL REVIEW B | 1998年 / 57卷 / 09期
关键词
D O I
10.1103/PhysRevB.57.4979
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Recently it has been reported that a high-pressure cubic phase of ruthenium dioxide has an unusually large bulk modulus, and consequently is a most interesting candidate as a very hard material. Based on ab initio calculations it is shown that the high bulk modulus is a result of a strong covalent bonding between ruthenium d states and oxygen p states in combination with the favorable geometry of the orbitals in the fluorite structure. In addition an even higher bulk modulus is predicted for the isoelectronic and isostructural compound OsO2.
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页码:4979 / 4982
页数:4
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