期刊
PHYSICAL REVIEW B
卷 87, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.87.064305
关键词
-
资金
- US Department of Energy [DE-AC02-07CH11358]
- National Academy of Sciences of Ukraine [0277092303, 0274092303]
The electronic structure, optical and x-ray absorption spectra, angle dependence of the cyclotronmasses and extremal cross sections of the Fermi surface, phonon spectra, electron-phonon Eliashberg and transport spectral functions, temperature dependence of electrical resistivity of the MB2 (M = Ti and Zr) diborides were investigated from first principles using the fully relativistic and full potential linear muffin-tin orbital methods. The calculations of the dynamic matrix were carried out within the framework of the linear response theory. A good agreement with experimental data of optical and x-ray absorption spectra, phonon spectra, electron-phonon spectral functions, electrical resistivity, cyclotron masses, and extremal cross sections of the Fermi surface was achieved. DOI: 10.1103/PhysRevB.87.064305
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据