Geodesic
Theoretical investigation
Čelâbinskij fiziko-matematičeskij žurnal, Tome 4 (2019) no. 4, pp. 472-480

Voir la notice de l'article provenant de la source Math-Net.Ru

The results of a theoretical investigation on the stability of a new endohedral $\rm Li@C_{24}$ cluster are presented. The first-principle calculations showed that this cluster is stable at the room temperature. At temperatures close to the absolute zero, comprehensive compression of fullerite from $\rm Li@C_{24}$ clusters leads to polymerization of the clusters when the pressure reaches $0.2$ GPa. During the polymerization, a diamond-like $\rm CA4-LiC_{24}$ phase can form. This pressure value is an order of magnitude lower than the pressure value at which the diamond-like $\rm CA4$ phase can be obtained from $\rm C_{24}$ clusters.
Keywords: fullerene, endohedral cluster, diamond-like carbon, first-principle calculations, phase transition, electronic structure. 
@article{CHFMJ_2019_4_4_a9,
     author = {E. A. Belenkov and V. A. Greshnyakov},
     title = {Theoretical investigation},
     journal = {\v{C}el\^abinskij fiziko-matemati\v{c}eskij \v{z}urnal},
     pages = {472--480},
     publisher = {mathdoc},
     volume = {4},
     number = {4},
     year = {2019},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/CHFMJ_2019_4_4_a9/}
}
TY  - JOUR
AU  - E. A. Belenkov
AU  - V. A. Greshnyakov
TI  - Theoretical investigation
JO  - Čelâbinskij fiziko-matematičeskij žurnal
PY  - 2019
SP  - 472
EP  - 480
VL  - 4
IS  - 4
PB  - mathdoc
UR  - http://geodesic.mathdoc.fr/item/CHFMJ_2019_4_4_a9/
LA  - ru
ID  - CHFMJ_2019_4_4_a9
ER  - 
%0 Journal Article
%A E. A. Belenkov
%A V. A. Greshnyakov
%T Theoretical investigation
%J Čelâbinskij fiziko-matematičeskij žurnal
%D 2019
%P 472-480
%V 4
%N 4
%I mathdoc
%U http://geodesic.mathdoc.fr/item/CHFMJ_2019_4_4_a9/
%G ru
%F CHFMJ_2019_4_4_a9
E. A. Belenkov; V. A. Greshnyakov. Theoretical investigation. Čelâbinskij fiziko-matematičeskij žurnal, Tome 4 (2019) no. 4, pp. 472-480. http://geodesic.mathdoc.fr/item/CHFMJ_2019_4_4_a9/