Effect of bond on negative thermal expansion of Prussian blue analogues MCo(CN)6 (M = Fe, Ti and Sc): a first-principles study

2020 ◽  
Vol 32 (45) ◽  
pp. 455703
Author(s):  
Yuan Li ◽  
Qilong Gao ◽  
Dahu Chang ◽  
Pengju Sun ◽  
Junzhe Liu ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Prussian Blue ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
Prussian Blue Analogues ◽  
First Principles Study

Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First-Principles Study

2010 ◽  
Vol 122 (3) ◽  
pp. 595-598 ◽  
Author(s):  
Vanessa K. Peterson ◽  
Gordon J. Kearley ◽  
Yue Wu ◽  
Anibal Javier Ramirez-Cuesta ◽  
Ewout Kemner ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Neutron Scattering ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study

First-principles study on negative thermal expansion of PbTiO3

2013 ◽  
Vol 103 (22) ◽  
pp. 221901 ◽  
Author(s):  
Fangfang Wang ◽  
Ying Xie ◽  
Jun Chen ◽  
Honggang Fu ◽  
Xianran Xing
Keyword(s):  
Thermal Expansion ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study

First-principles study of negative thermal expansion mechanism in A-site-ordered perovskite SrCu3Fe4O12

RSC Advances ◽  
2015 ◽  
Vol 5 (3) ◽  
pp. 1801-1807 ◽  
Author(s):  
Hongping Li ◽  
Shuai Liu ◽  
Lin Chen ◽  
Jiandong Zhao ◽  
Beibei Chen ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Thermal Expansion ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study ◽  
Electrical And Magnetic Properties ◽  
Expansion Mechanism ◽  
A Site

We investigate electrical and magnetic properties of an A-site-ordered perovskite SrCu3Fe4O12 and clarify its negative thermal expansion mechanism.

The mechanism of the area negative thermal expansion in KBe2BO3F2family crystals: A first-principles study

2016 ◽  
Vol 119 (5) ◽  
pp. 055901 ◽  
Author(s):  
Xingxing Jiang ◽  
Maxim S. Molokeev ◽  
Wei Li ◽  
Shaofan Wu ◽  
Zheshuai Lin ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study

Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First-Principles Study

2009 ◽  
Vol 49 (3) ◽  
pp. 585-588 ◽  
Author(s):  
Vanessa K. Peterson ◽  
Gordon J. Kearley ◽  
Yue Wu ◽  
Anibal Javier Ramirez-Cuesta ◽  
Ewout Kemner ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Neutron Scattering ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study

scholarly journals Negative thermal expansion in cubic FeFe(CN)6 Prussian blue analogues

2019 ◽  
Vol 48 (11) ◽  
pp. 3658-3663 ◽  
Author(s):  
Naike Shi ◽  
Qilong Gao ◽  
Andrea Sanson ◽  
Qiang Li ◽  
Longlong Fan ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Prussian Blue ◽  
Negative Thermal Expansion ◽  
Prussian Blue Analogues ◽  
Transverse Vibrations

A new isotropic negative thermal expansion compound of FeFe(CN)6 has been found, in which the transverse vibrations of N atoms dominate in its NTE behavior.

Large and tunable negative thermal expansion induced by a synergistic effect in M2II[MIV(CN)8] Prussian blue analogues

2020 ◽  
Vol 22 (33) ◽  
pp. 18655-18662
Author(s):  
Chunyan Wang ◽  
Dahu Chang ◽  
Qilong Gao ◽  
Chengyan Liu ◽  
Qinggao Wang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Synergistic Effect ◽  
Prussian Blue ◽  
Negative Thermal Expansion ◽  
Low Frequencies ◽  
Prussian Blue Analogues

The synergistic effect between acoustic and optic modes of low frequencies enhanced the NTE in M2II[MIV(CN)8].

Sign in / Sign up

Export Citation Format

Share Document