Add to ORKGWe have studied structural properties of the high-pressured solid oxygens with using the density functional theory. For the "-phase, we employed the lattice constants of available ex-perimental data and obtained the stable struc-ture of double chain. The structure factor ex-tracted from the electron density shows a good agreement with experimental results. The lo-cal structure of chain was found to have O2 pairs, which is consistent with the results of op-tical measurements. The persistent magnetic polarization has never been supported.
We introduce scaling parameters for the spin-polarization dependent gradient correction to the local...
We have developed the computational method to estimate magnetic dipole-dipole interaction energy inc...
Funding Information: Funding: This research was funded by the Academy of Finland, grant number 31727...
5 pags.; 4 figs.We present density functional theory (DFT) calculations of the (O 2)4 cluster to she...
While being one of the most casual elements in our planet, elementary oxygen shows many unusual feat...
For a long time the crystal structure of the high-pressure ε phase of solid oxygen was a mystery. Th...
Nowadays, solid oxygen under high pressure conditions is intensively studied in the theoretical and ...
AbstractWe introduce scaling parameters for the spin-polarization dependent gradient correction to t...
International audienceStructural phase transition of solid oxygen has been investigated by using ab ...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
金沢大学理工研究域 数物科学系We have studied the ζ-phase of solid oxygen using the generalized gradient approximat...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
金沢大学大学院自然科学研究科計算科学金沢大学工学部We have studied the ζ-phase of solid oxygen using the generalized gradient ...
We introduce scaling parameters for the spin-polarization dependent gradient correction to the local...
We have developed the computational method to estimate magnetic dipole-dipole interaction energy inc...
Funding Information: Funding: This research was funded by the Academy of Finland, grant number 31727...
5 pags.; 4 figs.We present density functional theory (DFT) calculations of the (O 2)4 cluster to she...
While being one of the most casual elements in our planet, elementary oxygen shows many unusual feat...
For a long time the crystal structure of the high-pressure ε phase of solid oxygen was a mystery. Th...
Nowadays, solid oxygen under high pressure conditions is intensively studied in the theoretical and ...
AbstractWe introduce scaling parameters for the spin-polarization dependent gradient correction to t...
International audienceStructural phase transition of solid oxygen has been investigated by using ab ...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
金沢大学理工研究域 数物科学系We have studied the ζ-phase of solid oxygen using the generalized gradient approximat...
First-principles electronic structure calculations based on DFT have been used to study the thermody...
金沢大学大学院自然科学研究科計算科学金沢大学工学部We have studied the ζ-phase of solid oxygen using the generalized gradient ...
We introduce scaling parameters for the spin-polarization dependent gradient correction to the local...
We have developed the computational method to estimate magnetic dipole-dipole interaction energy inc...
Funding Information: Funding: This research was funded by the Academy of Finland, grant number 31727...