THE VK CENTER IN NACL

被引：1

作者：

TESTA, A

STONEHAM, AM

CATLOW, CRA

SONG, KS

HARKER, AH

HARDING, JH

机构：

[1] UCL ROYAL INST GREAT BRITAIN, LONDON W1X 4B9, ENGLAND

[2] UNIV OTTAWA, DEPT PHYS, OTTAWA K1N 6N5, ONTARIO, CANADA

[3] HARWELL LAB, DIV THEORET PHYS, B424, DIDCOT OX11 0RA, OXON, ENGLAND

来源：

RADIATION EFFECTS AND DEFECTS IN SOLIDS | 1991年 / 119卷

关键词：

D O I：

10.1080/10420159108224849

中图分类号：

TL [原子能技术]; O571 [原子核物理学];

学科分类号：

0827 ; 082701 ;

摘要：

We calculate the excitation energies of the Vk centre in NaCl by an approach combining an Unrestricted Hartree Fock code with classical potentials to simulate the defect and the distorted lattice around it. This treatment gives better results than previous calculations based on the levels of the Cl- 2 molecule. Results on the elastic dipole tensor are also discussed. © 1991, Taylor & Francis Group, LLC. All rights reserved.

引用

页码：27 / 32

页数：6

共 16 条

[11] FORCED GAUGE-INVARIANCE OF SPIN HAMILTONIAN FOR HOMONUCLEAR DIATOMIC CENTERS [J].