scholarly journals First-principles study of magnetism in some novel MXene materials

RSC Advances ◽  
2020 ◽  
Vol 10 (72) ◽  
pp. 44430-44436
Author(s):  
Kan Luo ◽  
Xian-Hu Zha ◽  
Qing Huang ◽  
Cheng-Te Lin ◽  
Minghui Yang ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Critical Temperature ◽  
Monte Carlo Simulations ◽  
First Principles ◽  
Two Dimensional ◽  
Spintronic Devices ◽  
First Principles Study ◽  
Two Dimensional Materials

Magnetic two-dimensional materials have gained considerable attention due to their special topologies and promising applications in electronic and spintronic devices, and the critical temperature could be evaluated through Monte Carlo simulations.

Investigation of magnetic and electronic properties of transition metal doped Sc2CT2(T = O, OH or F) using a first principles study

2016 ◽  
Vol 18 (18) ◽  
pp. 12914-12919 ◽  
Author(s):  
Jianhui Yang ◽  
Xuepiao Luo ◽  
Shaozheng Zhang ◽  
Liang Chen
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
Spin Electronics ◽  
First Principles Study ◽  
Two Dimensional Materials ◽  
Metal Doped ◽  
Mn Doped

Cr- and Mn-doped Sc2CT2(T = OH, O, or F) systems are magnetic, which are promising two-dimensional materials in spin electronics applications.

scholarly journals Two-dimensional penta-Sn3H2 monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

RSC Advances ◽  
2018 ◽  
Vol 8 (21) ◽  
pp. 11799-11806 ◽  
Author(s):  
Peng Zhang ◽  
Xibin Yang ◽  
Wei Wu ◽  
Lifen Tian ◽  
Daxi Xiong ◽  
...  
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Two Dimensional ◽  
Photocatalytic Water Splitting ◽  
First Principles Study ◽  
Two Dimensional Materials ◽  
Potential Applications

Exploring two-dimensional materials with novel properties is becoming particularly important due to their potential applications in future electronics and optoelectronics.

Chemically functionalized germanene for spintronic devices: a first-principles study

2016 ◽  
Vol 18 (14) ◽  
pp. 9809-9815 ◽  
Author(s):  
Jun Zhao ◽  
Hui Zeng
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Spintronic Devices ◽  
First Principles Study

We have carried out first-principles calculations to explore various chemically functionalized germanene nanomaterials as two-dimensional spintronic devices.

scholarly journals MONTE-CARLO SIMULATIONS OF PHASE TRANSITIONS IN THE TWO-DIMENSIONAL ISING MODEL WITH LONG-RANGE CORRELATIONS

2017 ◽  
Vol 18 (9) ◽  
pp. 159-163
Author(s):  
A.A. Biryukov ◽  
Y.V. Degtyareva ◽  
M.A. Shleenkov
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Critical Temperature ◽  
Monte Carlo Method ◽  
Ising Model ◽  
Monte Carlo Simulations ◽  
Long Range ◽  
Temperature Increase ◽  
Two Dimensional ◽  
Long Range Correlations

In this article phase transitions in the modified two-dimensional Ising model with long-range correlations investigated. This model was studied with Monte-Carlo method and Metropolis algorithm. Critical temperature increase is shown in such model.

Phase stability of the monolayer Si1-xGex with Dirac cone

Nanoscale ◽  
2021 ◽  
Author(s):  
Xiaoyang Ma ◽  
Tong Yang ◽  
Dechun Li ◽  
Y. P. Feng
Keyword(s):  
Phase Diagram ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Stability ◽  
Cluster Expansion ◽  
First Principles ◽  
Temperature Phase ◽  
Two Dimensional ◽  
Dirac Cone ◽  
Temperature Phase Diagram

Phase stability and electronic properties of two-dimensional Si1-xGex alloys are investigated via the first-principles method in combination with the cluster expansion and Monte Carlo simulations. The calculated composition-temperature phase diagram...

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