Ti\ raggestbox{- 2ex- tunscripty 2}CoSn Heusler 化合物中的半金属状态和磁性相对于衬垫常量: 一项初步研究 (Half metallic state and magnetic properties versus the lattice constant in Ti\raisebox{-.2ex}{\scriptsize 2}CoSn Heusler compound: an ab initio study)

The half metallic properties of Ti\raisebox{-.2ex}{\scriptsize 2}CoSn full-Heusler compound is studied within the framework of the density functional theory with the Perdew Burke Ernzerhof generalized gradient approximation (GGA). Structural optimization was performed and the calculated equilibrium lattice constant is 6.340 A. The spin up band of compound has metallic character and spin down band is semiconducting with an indirect gap of 0.598 eV at equilibrium lattice constant. For the lattice parameter, ranging from 6.193 to 6.884 A the compound presents 100% spin polarization and a total magnetic moment of 3$\mu_{B}$.

翻译：利用Perdew Burke Ernzerhof通用梯度近似值(GGA),在密度功能理论的框架内研究了Ti\raggerbox{-2-exunscripic 2-}CoSn全休斯勒化合物的半金属特性。进行了结构优化,计算平衡拉蒂常值为6.340 A。圆形化合物的旋转带具有金属特性,旋转带在平衡拉蒂斯常值时是半导体,间接差为0.598 eV。对于拉蒂斯参数,从6.193到6.884 A,该化合物显示100%的旋转极化,总磁时点为3$\mu{B}。

相关内容

Metal

关注 7

> The Metal framework supports GPU-accelerated advanced 3D graphics rendering and data-parallel computation workloads. Metal provides a modern and streamlined API for fine-grain, low-level control of the organization, processing, and submission of graphics and computation commands and the management of the associated data and resources for these commands. A primary goal of Metal is to minimize the CPU overhead necessary for executing these GPU workloads.

Metal Programming Guide: About Metal and this Guide

【ICML2020】噪声在随机梯度下降中的泛化效益，On the Generalization Benefit of Noise in Stochastic Gradient Descent

专知会员服务

18+阅读 · 2020年6月29日

Fariz Darari简明《博弈论Game Theory》介绍，35页ppt

专知会员服务

110+阅读 · 2020年5月15日

深度强化学习策略梯度教程，53页ppt

专知会员服务

178+阅读 · 2020年2月1日

Auto-Sizing the Transformer Network: Improving Speed, Efficiency, and Performance for Low-Resource Machine Translation

专知会员服务