Abstract
Four B1-type alkaline earth oxides were studied to calculate the elastic properties and their pressure dependence using the ab initio full-potential linear muffin-tin-orbital (FP-LMTO) generalized gradient approximated (GGA) method. The derivation from the cauchy relation and elastic anisotropy of four oxides was also shown. The systematics of elasticity were investigated by the introduction of the normalized elastic constants. The difference in the Cauchy derivation and elastic anisotropy of alkaline earth oxides showed the systematic decrease in the elastically destabilized pressure.
| Original language | English |
|---|---|
| Pages (from-to) | 10086-10093 |
| Number of pages | 8 |
| Journal | The Journal of Chemical Physics |
| Volume | 114 |
| Issue number | 22 |
| DOIs | |
| Publication status | Published - Jun 8 2001 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Systematics of elasticity : Ab initio study in B1-type alkaline earth oxides. / Tsuchiya, T.; Kawamura, K.
In: The Journal of Chemical Physics, Vol. 114, No. 22, 08.06.2001, p. 10086-10093.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Systematics of elasticity
T2 - Ab initio study in B1-type alkaline earth oxides
AU - Tsuchiya, T.
AU - Kawamura, K.
PY - 2001/6/8
Y1 - 2001/6/8
N2 - Four B1-type alkaline earth oxides were studied to calculate the elastic properties and their pressure dependence using the ab initio full-potential linear muffin-tin-orbital (FP-LMTO) generalized gradient approximated (GGA) method. The derivation from the cauchy relation and elastic anisotropy of four oxides was also shown. The systematics of elasticity were investigated by the introduction of the normalized elastic constants. The difference in the Cauchy derivation and elastic anisotropy of alkaline earth oxides showed the systematic decrease in the elastically destabilized pressure.
AB - Four B1-type alkaline earth oxides were studied to calculate the elastic properties and their pressure dependence using the ab initio full-potential linear muffin-tin-orbital (FP-LMTO) generalized gradient approximated (GGA) method. The derivation from the cauchy relation and elastic anisotropy of four oxides was also shown. The systematics of elasticity were investigated by the introduction of the normalized elastic constants. The difference in the Cauchy derivation and elastic anisotropy of alkaline earth oxides showed the systematic decrease in the elastically destabilized pressure.
UR - http://www.scopus.com/inward/record.url?scp=0035827157&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035827157&partnerID=8YFLogxK
U2 - 10.1063/1.1371498
DO - 10.1063/1.1371498
M3 - Article
AN - SCOPUS:0035827157
VL - 114
SP - 10086
EP - 10093
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 22
ER -