scholarly journals A first-principles study on the negative thermal expansion material: Mn3(A0.5B0.5)N (A=Cu, Zn, Ag, or Cd; B=Si, Ge, or Sn)

AIP Advances ◽  
2016 ◽  
Vol 6 (7) ◽  
pp. 075122 ◽  
Author(s):  
Bingyan Qu ◽  
Haiyan He ◽  
Bicai Pan
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

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

First-principles study of the negative thermal expansion of PbTiO3

2016 ◽  
Vol 124 ◽  
pp. 92-97 ◽  
Author(s):  
Yue-Chao Jiao ◽  
Meng Li ◽  
Bo-Yang Qu ◽  
Ming-Yi Wu ◽  
Niu Zhang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study

First-principles study of negative thermal expansion in zinc oxide

2013 ◽  
Vol 114 (6) ◽  
pp. 063508 ◽  
Author(s):  
Zhanyu Wang ◽  
Fei Wang ◽  
Lei Wang ◽  
Yu Jia ◽  
Qiang Sun
Keyword(s):  
Zinc Oxide ◽  
Thermal Expansion ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study
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