Influence of magnetic ordering and Jahn–Teller distortion on the lithiation process of LiMn2O4

2017 ◽  
Vol 19 (9) ◽  
pp. 6481-6486 ◽  
Author(s):  
Wei-Wei Liu ◽  
Da Wang ◽  
Zhifan Wang ◽  
Jianguo Deng ◽  
Woon-Ming Lau ◽  
...  
Keyword(s):  
Cathode Materials ◽  
First Principles ◽  
Magnetic Ordering ◽  
Li Ion Batteries ◽  
Promising Candidate ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Li Ion ◽  
Jahn Teller Distortion

We performed extensive first-principles studies on the magnetic ordering and Jahn–Teller (JT) distortion of spinel LiMn2O4, a promising candidate for cathode materials in Li-ion batteries.

scholarly journals Lattice Compensation to Jahn–Teller Distortion in Na-Rich Manganese Hexacyanoferrate for Li-Ion Storage: An Operando Study

2020 ◽  
Vol 3 (6) ◽  
pp. 5728-5733 ◽  
Author(s):  
Angelo Mullaliu ◽  
Mattia Gaboardi ◽  
Jasper Rikkert Plaisier ◽  
Stefano Passerini ◽  
Marco Giorgetti
Keyword(s):  
Teller Distortion ◽  
Ion Storage ◽  
Jahn Teller ◽  
Li Ion ◽  
Jahn Teller Distortion

Influence of the Jahn—Teller distortion on magnetic ordering in TbMn 1− x Fe x O 3

2012 ◽  
Vol 21 (10) ◽  
pp. 107501 ◽  
Author(s):  
Jin-Ling Jin ◽  
Xiang-Qun Zhang ◽  
Guo-Ke Li ◽  
Zhao-Hua Cheng
Keyword(s):  
Magnetic Ordering ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion

First-principles calculations on the Jahn–Teller distortion in layered LiMnO2

2006 ◽  
Vol 158 (2) ◽  
pp. 1394-1400 ◽  
Author(s):  
Zu-Fei Huang ◽  
Xing Meng ◽  
Chun-Zhong Wang ◽  
Yuan Sun ◽  
Gang Chen
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Layered Limno2 ◽  
Jahn Teller Distortion

scholarly journals Multiferroic decorated Fe2O3 monolayer predicted from first principles

Nanoscale ◽  
2020 ◽  
Vol 12 (27) ◽  
pp. 14847-14852 ◽  
Author(s):  
Jing Shang ◽  
Chun Li ◽  
Xiao Tang ◽  
Aijun Du ◽  
Ting Liao ◽  
...  
Keyword(s):  
First Principles ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Device Applications ◽  
Jahn Teller Distortion

Insertion of Li can covert Fe2O3 layer as a multiferroics due to the Jahn–Teller distortion and d orbital splitting, which is promising for advanced device applications.

Effect of Jahn-Teller distortion on magnetic ordering in Dy(Fe,Mn)O3perovskites

2011 ◽  
Vol 83 (24) ◽  
Author(s):  
F.-K. Chiang ◽  
M.-W. Chu ◽  
F. C. Chou ◽  
H. T. Jeng ◽  
H. S. Sheu ◽  
...  
Keyword(s):  
Magnetic Ordering ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion

Vacancy induced Jahn–Teller distortion in silicon and its influence to the electronic structure

2015 ◽  
Vol 29 (24) ◽  
pp. 1550136
Author(s):  
Shuying Zhong ◽  
Xueling Lei ◽  
Lang Zhou
Keyword(s):  
Electronic Structure ◽  
Charge Density ◽  
First Principles ◽  
Electronic Structures ◽  
Crystalline Silicon ◽  
First Principles Calculations ◽  
Teller Distortion ◽  
Jahn Teller ◽  
The Difference ◽  
Jahn Teller Distortion

Atomic and electronic structures of monovacancy (V1), divacancy (V2) and ring hexavacancy (V6) in crystalline silicon are studied using first-principles calculations in periodic supercells. Our results show that the V6 defect is the most stable among V1, V2 and V6 defects, and the V2-RB structure is a little more stable than the V2-LP structure due to lower vacancy formation energy. Furthermore, it is found that both V1 and V2 undergo the Jahn–Teller (JT) distortion while V6 does not. As a result, V1 and V2 have deep levels in the gap which mainly come from the neighboring atoms to vacancy. V6 has tailing bands in the gap, and so has a more stable electronic structure than V1 and V2. In addition, the JT distortion also reflects in the band decomposed charge density and the difference charge density.

Investigation of dielectric relaxation, Jahn-Teller distortion, and magnetic ordering in Y substituted Pr1−xYxMnO3 (0.1 ≤ x ≤ 0.4)

2015 ◽  
Vol 117 (9) ◽  
pp. 093903 ◽  
Author(s):  
Ruchika Yadav ◽  
Harikrishnan S. Nair ◽  
Amit Kumar ◽  
Shilpa Adiga ◽  
H. L. Bhat ◽  
...  
Keyword(s):  
Dielectric Relaxation ◽  
Magnetic Ordering ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion
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