Lattice dynamics of a quasi-2D layered TlCo2Se2 with a helical magnetic structure

RSC Advances ◽  
2016 ◽  
Vol 6 (82) ◽  
pp. 79121-79127 ◽  
Author(s):  
Grzegorz Jagło ◽  
Urszula D. Wdowik
Keyword(s):  
Density Functional Theory ◽  
Magnetic Structure ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Magnetic Order ◽  
Vibrational Properties ◽  
Two Dimensional ◽  
Functional Theory

The vibrational properties of a quasi-two-dimensional layered TlCo2Se2 compound exhibiting a helical magnetic order were investigated using density functional theory and an approximation of harmonic phonons.

Tuning the structural, electronic and dynamical properties of Janus M4X3Y3 (M = Pd, Ni and Co; X,Y = S, Se and Te) monolayers: a DFT study

2021 ◽  
Vol 23 (37) ◽  
pp. 21139-21147
Author(s):  
Ismail Eren ◽  
Berna Akgenc
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Density Functional ◽  
Dft Study ◽  
Vibrational Properties ◽  
Metal Chalcogenides ◽  
Two Dimensional ◽  
Functional Theory ◽  
Transition Metal Chalcogenides ◽  
Dynamical Properties

Based on density functional theory, the structural, electronic and vibrational properties of two-dimensional transition metal chalcogenides M2X3 and their Janus type M4X3Y3, where M = Pd, Co and Ni and X = Se, S and Te, are investigated.

scholarly journals Complex magnetism of the two-dimensional antiferromagnetic Ge2F: from a Néel spin-texture to a potential antiferromagnetic skyrmion

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8654-8663
Author(s):  
Fatima Zahra Ramadan ◽  
Flaviano José dos Santos ◽  
Lalla Btissam Drissi ◽  
Samir Lounis
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Low Energy ◽  
Two Dimensional ◽  
Functional Theory ◽  
2D Material ◽  
Energy Models ◽  
Spin Texture

Based on density functional theory combined with low-energy models, we explore the magnetic properties of a hybrid atomic-thick two-dimensional (2D) material made of germanene doped with fluorine atoms in a half-fluorinated configuration (Ge2F).

Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

2015 ◽  
Vol 17 (7) ◽  
pp. 5000-5005 ◽  
Author(s):  
Eunjeong Yang ◽  
Hyunjun Ji ◽  
Jaehoon Kim ◽  
Heejin Kim ◽  
Yousung Jung
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Electrochemical Properties ◽  
Anode Materials ◽  
Density Functional ◽  
Two Dimensional ◽  
Metal Carbides ◽  
Functional Theory ◽  
Transition Metal Carbides ◽  
Sodium Batteries

MXenes are predicted to be a family of promising Na anode materials with desirable electrochemical properties using density functional theory.

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