Open AccessP-V Centers Behavior in Diamond C(111) Subsurface Layers
Author(s) -
O. Yu. Ananina,
E. V. Severina
Publication year - 2016
Publication title -
fìzika ì hìmìâ tverdogo tìla
Language(s) - English
Resource type - Journals
eISSN - 2309-8589
pISSN - 1729-4428
DOI - 10.15330/pcss.17.1.48-52
Subject(s) - diamond , condensed matter physics , center (category theory) , crystal (programming language) , materials science , charge density , spin (aerodynamics) , surface (topology) , charge (physics) , quantum chemical , crystallography , physics , chemistry , geometry , thermodynamics , quantum mechanics , composite material , molecule , mathematics , computer science , programming language
Quantum-chemical modeling is used to study the dependence of spin states, geometrical, electronic and energy characteristics of P-V center from its location on the surface of the diamond C(111). The (111) surface of diamond crystal is found to affect the geometrical parameters, charge characteristics and spin density distribution of P-V centers.