Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations)

• Veröffentlicht in: Condensed Matter Physics
• Datum: 2007
• Hauptverfasser: Andriyevsky, B., Ciepluch-Trojanek, W., Patryn, A.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: Інститут фізики конденсованих систем НАН України 2007
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/117915
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations) / B. Andriyevsky, W. Ciepluch-Trojanek, A. Patryn // Condensed Matter Physics. — 2007. — Т. 10, № 1(49). — С. 33-38. — Бібліогр.: 13 назв. — англ.

First principle calculations of the effect of hydrostatic pressure on the structural and electronic parameters of TGS crystals have been carried out within the framework of density functional theory using the CASTEP code. The volume dependence of total electronic energy E(V) of the crystal unit cell...