scholarly journals Negative thermal expansion in cubic ZrW2O8: Role of phonons in the entire Brillouin zone fromab initiocalculations

2013 ◽  
Vol 88 (1) ◽  
Author(s):  
M. K. Gupta ◽  
R. Mittal ◽  
S. L. Chaplot
Keyword(s):  
Thermal Expansion ◽  
Brillouin Zone ◽  
Negative Thermal Expansion

Primary pyroelectric transition temperatures of binary nitrides (AlN, GaN and InN)

2019 ◽  
Vol 33 (05) ◽  
pp. 1950049
Author(s):  
Muralidhar Swain ◽  
Sushant K. Sahoo ◽  
Bijay K. Sahoo
Keyword(s):  
Thermal Conductivity ◽  
Thermal Expansion ◽  
Thermal Properties ◽  
Transition Temperature ◽  
Negative Thermal Expansion ◽  
Polarization Field ◽  
Piezoelectric Polarization ◽  
Polarization Mechanism ◽  
Prior Literature

The primary pyroelectric transition temperature of wurtzite nitrides (AlN, GaN and InN) has been explored theoretically from their thermal properties. The spontaneous and piezoelectric polarization modifies the thermal conductivity of nitrides. The thermal conductivity [Formula: see text] as a function of temperature including and excluding the polarization mechanism predicts a transition temperature [Formula: see text] between primary and secondary pyroelectric effects. Below [Formula: see text], thermal conductivity including polarization field [Formula: see text] is lesser than thermal conductivity excluding polarization field [Formula: see text]. This is due to negative thermal expansion in binary nitrides below [Formula: see text]; however, above [Formula: see text], [Formula: see text]. [Formula: see text] is significantly contributed by piezoelectric polarization above [Formula: see text] due to thermal expansion which is the reason for the secondary pyroelectric effect. The transition temperature [Formula: see text] for AlN, GaN and InN has been predicted as 100 K, 70 K and 60 K, respectively, which fit well with the prior literature studies. This report proposes that thermal properties’ study can reveal the role of acoustic phonons in pyroelectricity.

A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components

2014 ◽  
Vol 50 (95) ◽  
pp. 14960-14963 ◽  
Author(s):  
Kai-Yao Wang ◽  
Mei-Ling Feng ◽  
Liu-Jiang Zhou ◽  
Jian-Rong Li ◽  
Xing-Hui Qi ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Negative Thermal Expansion ◽  
Thermal Expansion Behaviour ◽  
Inorganic Components ◽  
Expansion Behaviour

Through the study on a new Mn2(api)Sb2S5compound, we propose a strategy for designing a novel hybrid with uniaxial NTE behaviour based on the synergistic role of organic and inorganic components.

Role of “Dumbbell” Pairs of Fe in Spin Alignments and Negative Thermal Expansion of Lu2Fe17-Based Intermetallic Compounds

2020 ◽  
Vol 59 (16) ◽  
pp. 11228-11232
Author(s):  
Yili Cao ◽  
Kun Lin ◽  
Zhanning Liu ◽  
Jinyu Hu ◽  
Chin-Wei Wang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Intermetallic Compounds ◽  
Negative Thermal Expansion

The Role of Electronic Subsystem in the Negative Thermal Expansion of Ferroelectric–Semiconductor TlGaSe2

2011 ◽  
Vol 50 (5S2) ◽  
pp. 05FD06
Author(s):  
Tofig G. Mammadov ◽  
Nadir A. Abdullayev ◽  
MirHasan Yu. Seyidov ◽  
Rauf A. Suleymanov ◽  
Emin Yakar
Keyword(s):  
Thermal Expansion ◽  
Negative Thermal Expansion ◽  
Electronic Subsystem

Negative Thermal Expansion Properties and the Role of Guest Alkali Atoms in LnFe(CN)6 (Ln = Y, La) from ab Initio Calculations

2018 ◽  
Vol 122 (23) ◽  
pp. 12421-12427 ◽  
Author(s):  
Dahu Chang ◽  
Changqing Wang ◽  
Zaiping Zeng ◽  
Chunyan Wang ◽  
Fei Wang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Negative Thermal Expansion ◽  
Alkali Atoms

scholarly journals Negative thermal expansion and the role of hybridization in perovskite-type PbTiO3-Bi(Cu0.5Ti0.5)O3

2020 ◽  
Vol 7 (5) ◽  
pp. 1190-1195 ◽  
Author(s):  
Longlong Fan ◽  
Qiang Li ◽  
Linxing Zhang ◽  
Naike Shi ◽  
Hui Liu ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Negative Thermal Expansion ◽  
Perovskite Type

PbTiO3-BiMeO3 ferroelectrics have attracted much attention due to not only their extremely large polarization and piezoelectricity but also their controllable thermal expansion.

scholarly journals The role of static disorder in negative thermal expansion in ReO3

2009 ◽  
Vol 105 (11) ◽  
pp. 114901 ◽  
Author(s):  
Efrain E. Rodriguez ◽  
Anna Llobet ◽  
Thomas Proffen ◽  
Brent C. Melot ◽  
Ram Seshadri ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Negative Thermal Expansion ◽  
Static Disorder

The Role of Electronic Subsystem in the Negative Thermal Expansion of Ferroelectric–Semiconductor TlGaSe2

2011 ◽  
Vol 50 (5) ◽  
pp. 05FD06 ◽  
Author(s):  
Tofig G. Mammadov ◽  
Nadir A. Abdullayev ◽  
MirHasan Yu. Seyidov ◽  
Rauf A. Suleymanov ◽  
Emin Yakar
Keyword(s):  
Thermal Expansion ◽  
Negative Thermal Expansion ◽  
Electronic Subsystem
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