Magnetic properties of carbon doped CdS: A first-principles and Monte Carlo study

2008 ◽  
Vol 77 (12) ◽  
Author(s):  
Hui Pan ◽  
Yuan Ping Feng ◽  
Qin Yun Wu ◽  
Zhi Gao Huang ◽  
Jianyi Lin
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
First Principles ◽  
Monte Carlo Study ◽  
Carbon Doped

Strain effects on electronic and magnetic properties of the monolayer α - RuCl 3: A first-principles and Monte Carlo study

2019 ◽  
Vol 125 (8) ◽  
pp. 083903 ◽  
Author(s):  
Erol Vatansever ◽  
Sevil Sarikurt ◽  
Fatih Ersan ◽  
Yelda Kadioglu ◽  
Olcay Üzengi Aktürk ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
First Principles ◽  
Monte Carlo Study ◽  
Strain Effects ◽  
Electronic And Magnetic Properties

scholarly journals Electronic and magnetic properties of monolayer α-RuCl3: a first-principles and Monte Carlo study

2018 ◽  
Vol 20 (2) ◽  
pp. 997-1004 ◽  
Author(s):  
S. Sarikurt ◽  
Y. Kadioglu ◽  
F. Ersan ◽  
E. Vatansever ◽  
O. Üzengi Aktürk ◽  
...  
Keyword(s):  
Phase Transition ◽  
Monte Carlo ◽  
Magnetic Properties ◽  
Curie Temperature ◽  
Specific Heat ◽  
First Principles ◽  
Monte Carlo Study ◽  
Electronic And Magnetic Properties ◽  
Chemical Exfoliation

Recent experiments revealed that monolayer α-RuCl3 can be obtained by a chemical exfoliation method and exfoliation or restacking of nanosheets can manipulate the magnetic properties of the materials. Thermal variations of magnetization and specific heat curves indicate that monolayer α-RuCl3 exhibits a phase transition between ordered and disordered phases at the Curie temperature of 14.21 K.

Combined DFT and kinetic Monte Carlo study of a bridging-spillover mechanism on fluorine-decorating graphene

2020 ◽  
Author(s):  
Jing-hua Guo ◽  
Jin-Xiang Liu ◽  
Hongbo Wang ◽  
Haiying Liu ◽  
Gang Chen
Keyword(s):  
Monte Carlo ◽  
First Principles ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
First Principles Calculations ◽  
Graphene Surface

In this work, combining the first-principles calculations with kinetic Monte Carlo (KMC) simulations, we constructed an irregular carbon bridge on the graphene surface and explored the process of H migration...

Bulk Magnetic Properties of the Fe0.5Mn0.1Al0.4Disordered Alloy: A Monte Carlo Study

2003 ◽  
Vol 148/149 (1-4) ◽  
pp. 285-293 ◽  
Author(s):  
J. Restrepo ◽  
Claudia González ◽  
G. A. Pérez Alcázar ◽  
O. Arnache ◽  
J.-M. Greneche
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Monte Carlo Study

Electronic and magnetic properties of honeycomb transition metal monolayers: first-principles insights

2014 ◽  
Vol 16 (26) ◽  
pp. 13383-13389 ◽  
Author(s):  
Xinru Li ◽  
Ying Dai ◽  
Yandong Ma ◽  
Baibiao Huang
Keyword(s):  
Field Theory ◽  
Monte Carlo ◽  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Mean Field Theory ◽  
Mean Field ◽  
Electronic And Magnetic Properties ◽  
Dirac Systems

The electronic and magnetic properties of d-electron-based Dirac systems are studied by combining first-principles with mean field theory and Monte Carlo approaches.

Magnetic properties of LiFePO4 compound: A Monte Carlo study

2015 ◽  
Vol 635 ◽  
pp. 268-272 ◽  
Author(s):  
R. Masrour ◽  
A. Jabar ◽  
A. Benyoussef ◽  
M. Hamedoun ◽  
E.K. Hlil
Keyword(s):  
Monte Carlo ◽  
Magnetic Properties ◽  
Monte Carlo Study ◽  
Compound A
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