First-Principles Prediction on Long-Range Ferromagnetism Induced by Vacancies in SnO2 Nanosheet

2014 ◽  
Vol 83 (10) ◽  
pp. 104601 ◽  
Author(s):  
Hang-xing Luan ◽  
Chang-wen Zhang ◽  
Run-wu Zhang ◽  
Wei-xiao Ji ◽  
Pei-ji Wang
Keyword(s):  
Long Range ◽  
First Principles ◽  
Sno2 Nanosheet

scholarly journals Long-Range Magnetic Exchange Pathways in Complex Clusters from First Principles

2021 ◽  
Author(s):  
Dian-Teng Chen ◽  
Jia Chen ◽  
Xiang-Guo Li ◽  
George Christou ◽  
Stephen Hill ◽  
...  
Keyword(s):  
Long Range ◽  
First Principles ◽  
Magnetic Exchange

Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit

2020 ◽  
Vol 22 (21) ◽  
pp. 12058-12067
Author(s):  
Vladimir G. Ushakov ◽  
Vladimir V. Meshkov ◽  
Aleksander Yu. Ermilov ◽  
Andrey V. Stolyarov ◽  
Iouli E. Gordon ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Dipole Moment ◽  
Potential Energy ◽  
Long Range ◽  
First Principles ◽  
Dipole Moments ◽  
Electronic States ◽  
Dissociation Limit ◽  
Moment Functions ◽  
Range Perturbation

The potential-energy and dipole-moment functions for six electronic states are obtained both analytically, in the framework of long-range perturbation theory, and numerically, by using first-principles methods.

First-principles study of uniaxial strain-stabilized long-range ferromagnetic ordering in electrenes

2021 ◽  
Author(s):  
Jun Zhou ◽  
Xiaohe Song ◽  
Ming Yang ◽  
J. W. Chai ◽  
Lai Mun Wong ◽  
...  
Keyword(s):  
Magnetic Fields ◽  
Long Range ◽  
First Principles ◽  
Easy Axis ◽  
Magnetic Ordering ◽  
Uniaxial Strain ◽  
Two Dimensional ◽  
First Principles Study ◽  
Ferromagnetic Ordering

Few two-dimensional (2D) magnets have an intrinsic easy axis, which is essential for a long-range magnetic ordering for applications. Here, we show that without external magnetic fields, uniaxial strains can...

scholarly journals First-principles supercell calculations of small polarons with proper account for long-range polarization effects

2018 ◽  
Vol 20 (3) ◽  
pp. 033023 ◽  
Author(s):  
Sebastian Kokott ◽  
Sergey V Levchenko ◽  
Patrick Rinke ◽  
Matthias Scheffler
Keyword(s):  
Long Range ◽  
First Principles ◽  
Polarization Effects ◽  
Small Polarons ◽  
Proper Account

Optical properties of the long-range Si(110)-(16 × 2) reconstruction from first principles

2012 ◽  
Vol 249 (6) ◽  
pp. 1148-1154 ◽  
Author(s):  
Elena Ferraro ◽  
Conor Hogan ◽  
Maurizia Palummo ◽  
Rodolfo Del Sole
Keyword(s):  
Optical Properties ◽  
Long Range ◽  
First Principles
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