scholarly journals Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach

RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4786-4794 ◽  
Author(s):  
Mohammadreza Hosseini ◽  
Danny E. P. Vanpoucke ◽  
Paolo Giannozzi ◽  
Masoud Berahman ◽  
Nasser Hadipour
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Metal Organic Framework ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Metal Organic ◽  
Organic Framework

The structural, electronic and magnetic properties of the MIL-47(Mn) metal–organic framework are investigated using first principles calculations.

scholarly journals Electronic and magnetic properties of DUT-8(Ni)

2015 ◽  
Vol 17 (26) ◽  
pp. 17122-17129 ◽  
Author(s):  
Kai Trepte ◽  
Sebastian Schwalbe ◽  
Gotthard Seifert
Keyword(s):  
Magnetic Properties ◽  
Metal Organic Framework ◽  
Electronic And Magnetic Properties ◽  
Antiferromagnetic Ordering ◽  
Metal Organic ◽  
Flexible Metal ◽  
Organic Framework

Antiferromagnetic ordering in a flexible metal–organic framework DUT-8(Ni).

Structural, electronic and magnetic properties of metal–organic-framework perovskites [AmH][Mn(HCOO)3]: a first-principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (54) ◽  
pp. 48779-48787 ◽  
Author(s):  
Xiangjian Wang ◽  
Gaoyang Gou ◽  
Dawei Wang ◽  
Haiyan Xiao ◽  
Yang Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
First Principles ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Functional Theory ◽  
Electronic And Magnetic Properties ◽  
First Principles Study ◽  
Metal Organic

Novel multiferroic Metal–Organic-Frameworks (MOFs) [AmH][M(HCOO)3] are investigated in structural, electronic and magnetic properties using density functional theory.

scholarly journals Synthetic Route to a Triphenylenehexaselenol-Based Metal Organic Framework with Semi-conductive and Glassy Magnetic Properties

iScience ◽  
2020 ◽  
Vol 23 (1) ◽  
pp. 100812 ◽  
Author(s):  
Yutao Cui ◽  
Jie Yan ◽  
Zhijun Chen ◽  
Weilong Xing ◽  
Chunhui Ye ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Metal Organic Framework ◽  
Synthetic Route ◽  
Metal Organic ◽  
Organic Framework

Electronic and magnetic properties of the Janus MoSSe/WSSe superlattice nanoribbon: a first-principles study

2020 ◽  
Vol 22 (4) ◽  
pp. 2498-2508 ◽  
Author(s):  
Lingling Yu ◽  
Shoutian Sun ◽  
Xiang Ye
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Period Length ◽  
First Principles Calculations ◽  
Ribbon Width ◽  
Electronic And Magnetic Properties ◽  
First Principles Study ◽  
Structure Properties

The electronic structure properties of Janus MoSSe/WSSe superlattice nanoribbons (SLNRs) are investigated by first-principles calculations. The ribbon width, combination ratio and period length have a great effect on the properties of the SLNRs.

Magnetism and hybrid improper ferroelectricity in LaMO3/YMO3 superlattices

2019 ◽  
Vol 21 (36) ◽  
pp. 20132-20136 ◽  
Author(s):  
Pengxia Zhou ◽  
Shuaihua Lu ◽  
Chuanfu Li ◽  
Chonggui Zhong ◽  
Zhiyun Zhao ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties

Using first-principles calculations, we investigate the structural, electronic, and magnetic properties of perovskite LaMO3/YMO3 superlattices (M = Cr, Mn, Co and Ni).

Tuning intrinsic ferromagnetic and anisotropic properties of the Janus VSeS monolayer

2020 ◽  
Vol 8 (38) ◽  
pp. 13286-13296
Author(s):  
Mahsa Abdollahi ◽  
Meysam Bagheri Tagani
Keyword(s):  
Magnetic Properties ◽  
Curie Temperature ◽  
First Principles ◽  
2D Materials ◽  
High Curie Temperature ◽  
First Principles Calculations ◽  
Ferromagnetic Properties ◽  
Anisotropic Properties ◽  
Electronic And Magnetic Properties ◽  
New Class

Motivated by the intrinsic ferromagnetic properties and high Curie temperature of V-based Janus dichalcogenide monolayers as a new class of 2D materials, we investigated the structural, electronic and magnetic properties of the Janus VSeS monolayer by first-principles calculations.

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