First-principles investigations of GaAs(3 1 1)A surface reconstruction—failure of the electron counting model

2004 ◽  
Vol 237 (1-4) ◽  
pp. 189-193
Author(s):  
A. Taguchi ◽  
K. Shiraishi
Keyword(s):  
Surface Reconstruction ◽  
First Principles ◽  
Electron Counting ◽  
Counting Model

Switchable electronic and enhanced magnetic properties of CrI3 edges

2021 ◽  
Author(s):  
Guohui Yang ◽  
Rui Wang ◽  
Mei Ge ◽  
Miaomiao Guo ◽  
Jicui Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Orbit Coupling ◽  
Ligand Field ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
First Principles Calculations ◽  
Electron Counting ◽  
Counting Model

The first-principles calculations with spin–orbit coupling suggest that, the thermodynamic stabilities of CrI3 nano ribbon can be understood through the octahedron ligand field and electron counting model.

Ferromagnetic Dirac Half-Metallicity in Transition Metal Embedded Honeycomb Borophene

2021 ◽  
Author(s):  
Yanxia Wang ◽  
Xue Jiang ◽  
Yi Wang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Valence Electron ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Next Generation ◽  
Half Metallicity ◽  
Counting Rule ◽  
Spintronic Devices ◽  
Electron Counting

Exploring two-dimensional (2D) ferromagnetic materials with intrinsic Dirac half-metallicity is crucial for the development of next-generation spintronic devices. Based on first-principles calculations, here we propose a simple valence electron-counting rule...

scholarly journals A simple electron counting model for half-Heusler surfaces

2018 ◽  
Vol 4 (6) ◽  
pp. eaar5832 ◽  
Author(s):  
Jason K. Kawasaki ◽  
Abhishek Sharan ◽  
Linda I. M. Johansson ◽  
Martin Hjort ◽  
Rainer Timm ◽  
...  
Keyword(s):  
Electron Counting ◽  
Counting Model

Surface reconstruction modes of Cu2O(001) surface: A first principles study

2010 ◽  
Vol 604 (17-18) ◽  
pp. 1516-1523 ◽  
Author(s):  
Mazharul M. Islam ◽  
Boubakar Diawara ◽  
Vincent Maurice ◽  
Philippe Marcus
Keyword(s):  
Surface Reconstruction ◽  
First Principles ◽  
First Principles Study

First-principles investigations of GaAs (112)-(2×2) surface reconstruction

2010 ◽  
Author(s):  
Wei Shu ◽  
Xia Zhang ◽  
Xiaolong Liu ◽  
Hui Huang ◽  
Yongqing Huang ◽  
...  
Keyword(s):  
Surface Reconstruction ◽  
First Principles

Ge(001) surface reconstruction studied using a first-principles calculation and a Monte Carlo simulation

2000 ◽  
Vol 61 (3) ◽  
pp. 1965-1970 ◽  
Author(s):  
Yoshihide Yoshimoto ◽  
Yoshimichi Nakamura ◽  
Hiroshi Kawai ◽  
Masaru Tsukada ◽  
Masatoshi Nakayama
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Surface Reconstruction ◽  
First Principles ◽  
First Principles Calculation
Sign in / Sign up

Export Citation Format

Share Document