辽宁工程技术大学学报（自然科学版）2011，Vol.30Issue(3)：476-480,5.DOI:CNKI：21-1379/N.20110610.1017.001
应用Abinit软件研究MgB2超导薄膜的量子效应
Study of quantum effects of MgB2 superconductive thin films using Abinit software
摘要
Abstract
In order to study the quantum effects of superconductive thin films, the interlayer atomic relaxation, the average total energy and the incremental energy of MgB2 superconductive thin films were investigated using Abinit software based on the first principles and the density functional theory. The results show that for all the films at the end of B and Mg, the interlayer relaxations of atoms, the average total energy and the incremental energies show an oscillatory phenomena with the increase of file thickness. Quantum-computing results provide a useful reference for future theoretical and experimental research on superconducting thin films.关键词
MgB2；密度泛函理论；第一性原理；原子层间弛豫；平均总能量；递增能Key words
MgB2/ density functional theory/ first principles/ interlayer relaxations of atoms/ average total energy/incremental energy分类
数理科学引用本文复制引用
赵强..应用Abinit软件研究MgB2超导薄膜的量子效应[J].辽宁工程技术大学学报（自然科学版）,2011,30(3):476-480,5.基金项目
辽宁省教育厅高校科学技术研究项目(20076462) （20076462）
