Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion

Yuriy Poplavko

doi:doi:10.11648/j.sdm.20260103.11

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Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion

Yuriy Poplavko^*

Published in Science Discovery Materials (Volume 1, Issue 3)

Received: 17 July 2026 Accepted: 10 August 2026 Published: 27 August 2026

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Abstract

In all dielectrics, electric polarization is induced by an external electric field, but polar crystals also exhibit intrinsic polarity, forming non-centrosymmetric polar and polar-neutral structures of pyroelectrics and piezoelectrics. It is postulated that intrinsic polarity in crystal structures arising due to the different electronegativities of neighboring ions. The emergence of intrinsic polarity is facilitated by high ionic charge, large Lorentz factor and high anharmonicity of ions vibrations that are the characteristic of mixed covalent-ionic bonds. Polar crystal structures are characterized by reduced symmetry and the ability to electrically respond to mechanical, thermal, optical, and other nonelectrical stimuli. The paper examines the causes of polarity and antipolarity in crystals, assuming that the dynamics of polar cluster formation corresponds to the concept of configurational entropy. Experimental data and explanations for many manifestations of intrinsic polarity in crystals are presented.

Published in	Science Discovery Materials (Volume 1, Issue 3)
DOI	10.11648/j.sdm.20260103.11
Page(s)	81-95
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2026. Published by Science Publishing Group

Keywords

Polar Crystals, Electronegativity, Configurational Entropy, Specific Heat, Thermal Expansion, Heat Transfer, Piezoelectrics, Pyroelectrics

References

[1]	Lines, M. E., and Glass, A. M. Principles and application of ferroelectrics and related materials, Oxford, Clarendon Press, 1977.
[2]	Burfoot, J. C. and Taylor, G. W. Polar dielectrics and their application, New Jersey, Macmillan Press, 1979.
[3]	Uchino, K. Ferroelectric devices. New York, Marcel Dekker, 2000.
[4]	Böer, K. W. and Pohl, U. W. Semiconductor Physics, Cham, Springer, 2023.
[5]	Poplavko, Y. M. Electronic materials. Principles and applied science, Elsevier, 2019.
[6]	Schlom, D. G., Chen, L.-Q., Eom, Ch.-B., Rabe, K. M., Streifer, S. K., and Triscone, J. M. Strain Tuning of Ferroelectric Thin Films. Annu. Rev. Mater. Res. 2007, 37, 589-626. https://doi.org/10.1146/annurev.matsci.37.061206.113016
[7]	Liu, Z. K., Wang, Y., and Shang, S. L. Origin of Negative Thermal Expansion Phenomenon in Solids. Scripta Materialia. 2011, 65(8), 664-667. https://doi.org/10.1016/j.scriptamat.2011.07.001
[8]	Rabe, K. M., Ahn, C. H., Triscone, J.-M. (Eds.), Physics of Ferroelectrics: A Modern Perspective. Springer, 2007.
[9]	Lejček, P., and Školáková, A. Grain Boundary Configurational Entropy: A Challenge. Journal of Materials Science. 2023, 58, 10043–10057. https://doi.org/10.1007/s10853-023-08634-w
[10]	Tiwtusthada, S., Saelee, T., Khajondetchairit, P., Rittiruam, M., Praserthdam, P., and Praserthdam, S. The Development of Configurational Entropy Formulation for High-Entropy Oxides: Review and Outlook. Journal of Alloys and Compounds. 2025, 1037, 182599. https://doi.org/10.1016/j.jallcom.2025.182599
[11]	Poplavko, Y. M., and Pereverzeva, L. P. Pyroelectricity of Partially Clamped Piezoelectrics. Ferroelectrics. 1992, 130, 361. https://doi.org/10.1080/00150199208221444
[12]	Dimarova, E. N., Poplavko, Y. M. Electrical Bias Field Influence on Ferroelectrics Thermal Conductivity. Izvestia AN SSSR, Serial Phys., 1967, 31(11), 1842.
[13]	Strukov, B. A. Heat Capacity in TGS Single Crystal. Solid State Physics (Russian). 1963, 6(9), 2862.
[14]	Zavorotny, V. F., Poplavko, Y. M., Pasechnik, L. F. Diffusion of Heat in KDP-type Ferro- and Antiferroelectrics. Solid State Physics (Russian, St. Petersburg), 1993, 35, 2832.
[15]	Poplavko, Y. M. Dielectric Spectroscopy of Electronic Materials. Applied Physics of Dielectrics. Elsevier, 2021.
[16]	Kittel, C. Introduction to Solid State Physics, 5th ed. New York, John Wiley, 1976.
[17]	Martienssen, W., and Warlimont, H. (Eds.) Handbook of Condensed Matter and Materials Data. Berlin, Springer, 2005.

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Poplavko, Y. (2026). Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion. Science Discovery Materials, 1(3), 81-95. https://doi.org/10.11648/j.sdm.20260103.11

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ACS Style

Poplavko, Y. Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion. Sci. Discov. Mater. 2026, 1(3), 81-95. doi: 10.11648/j.sdm.20260103.11

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AMA Style

Poplavko Y. Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion. Sci Discov Mater. 2026;1(3):81-95. doi: 10.11648/j.sdm.20260103.11

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@article{10.11648/j.sdm.20260103.11,
  author = {Yuriy Poplavko},
  title = {Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion},
  journal = {Science Discovery Materials},
  volume = {1},
  number = {3},
  pages = {81-95},
  doi = {10.11648/j.sdm.20260103.11},
  url = {https://doi.org/10.11648/j.sdm.20260103.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sdm.20260103.11},
  abstract = {In all dielectrics, electric polarization is induced by an external electric field, but polar crystals also exhibit intrinsic polarity, forming non-centrosymmetric polar and polar-neutral structures of pyroelectrics and piezoelectrics. It is postulated that intrinsic polarity in crystal structures arising due to the different electronegativities of neighboring ions. The emergence of intrinsic polarity is facilitated by high ionic charge, large Lorentz factor and high anharmonicity of ions vibrations that are the characteristic of mixed covalent-ionic bonds. Polar crystal structures are characterized by reduced symmetry and the ability to electrically respond to mechanical, thermal, optical, and other nonelectrical stimuli. The paper examines the causes of polarity and antipolarity in crystals, assuming that the dynamics of polar cluster formation corresponds to the concept of configurational entropy. Experimental data and explanations for many manifestations of intrinsic polarity in crystals are presented.},
 year = {2026}
}

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TY  - JOUR
T1  - Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion
AU  - Yuriy Poplavko
Y1  - 2026/08/27
PY  - 2026
N1  - https://doi.org/10.11648/j.sdm.20260103.11
DO  - 10.11648/j.sdm.20260103.11
T2  - Science Discovery Materials
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JO  - Science Discovery Materials
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EP  - 95
PB  - Science Publishing Group
SN  - 3143-6927
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AB  - In all dielectrics, electric polarization is induced by an external electric field, but polar crystals also exhibit intrinsic polarity, forming non-centrosymmetric polar and polar-neutral structures of pyroelectrics and piezoelectrics. It is postulated that intrinsic polarity in crystal structures arising due to the different electronegativities of neighboring ions. The emergence of intrinsic polarity is facilitated by high ionic charge, large Lorentz factor and high anharmonicity of ions vibrations that are the characteristic of mixed covalent-ionic bonds. Polar crystal structures are characterized by reduced symmetry and the ability to electrically respond to mechanical, thermal, optical, and other nonelectrical stimuli. The paper examines the causes of polarity and antipolarity in crystals, assuming that the dynamics of polar cluster formation corresponds to the concept of configurational entropy. Experimental data and explanations for many manifestations of intrinsic polarity in crystals are presented.
VL  - 1
IS  - 3
ER  -

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Author Information

Yuriy Poplavko

Microelectronics Department, National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute”, Kyiv, Ukraine

Contact Email

http://orcid.org/0000-0003-2012-4556

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APA Style

Poplavko, Y. (2026). Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion. Science Discovery Materials, 1(3), 81-95. https://doi.org/10.11648/j.sdm.20260103.11

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ACS Style

Poplavko, Y. Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion. Sci. Discov. Mater. 2026, 1(3), 81-95. doi: 10.11648/j.sdm.20260103.11

Copy | Download

AMA Style

Poplavko Y. Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion. Sci Discov Mater. 2026;1(3):81-95. doi: 10.11648/j.sdm.20260103.11

Copy | Download

@article{10.11648/j.sdm.20260103.11,
  author = {Yuriy Poplavko},
  title = {Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion},
  journal = {Science Discovery Materials},
  volume = {1},
  number = {3},
  pages = {81-95},
  doi = {10.11648/j.sdm.20260103.11},
  url = {https://doi.org/10.11648/j.sdm.20260103.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sdm.20260103.11},
  abstract = {In all dielectrics, electric polarization is induced by an external electric field, but polar crystals also exhibit intrinsic polarity, forming non-centrosymmetric polar and polar-neutral structures of pyroelectrics and piezoelectrics. It is postulated that intrinsic polarity in crystal structures arising due to the different electronegativities of neighboring ions. The emergence of intrinsic polarity is facilitated by high ionic charge, large Lorentz factor and high anharmonicity of ions vibrations that are the characteristic of mixed covalent-ionic bonds. Polar crystal structures are characterized by reduced symmetry and the ability to electrically respond to mechanical, thermal, optical, and other nonelectrical stimuli. The paper examines the causes of polarity and antipolarity in crystals, assuming that the dynamics of polar cluster formation corresponds to the concept of configurational entropy. Experimental data and explanations for many manifestations of intrinsic polarity in crystals are presented.},
 year = {2026}
}

Copy | Download

TY  - JOUR
T1  - Intrinsic Polarity of Crystals: Elementary Models, Heat Capacity and Transfer, Negative Thermal Expansion
AU  - Yuriy Poplavko
Y1  - 2026/08/27
PY  - 2026
N1  - https://doi.org/10.11648/j.sdm.20260103.11
DO  - 10.11648/j.sdm.20260103.11
T2  - Science Discovery Materials
JF  - Science Discovery Materials
JO  - Science Discovery Materials
SP  - 81
EP  - 95
PB  - Science Publishing Group
SN  - 3143-6927
UR  - https://doi.org/10.11648/j.sdm.20260103.11
AB  - In all dielectrics, electric polarization is induced by an external electric field, but polar crystals also exhibit intrinsic polarity, forming non-centrosymmetric polar and polar-neutral structures of pyroelectrics and piezoelectrics. It is postulated that intrinsic polarity in crystal structures arising due to the different electronegativities of neighboring ions. The emergence of intrinsic polarity is facilitated by high ionic charge, large Lorentz factor and high anharmonicity of ions vibrations that are the characteristic of mixed covalent-ionic bonds. Polar crystal structures are characterized by reduced symmetry and the ability to electrically respond to mechanical, thermal, optical, and other nonelectrical stimuli. The paper examines the causes of polarity and antipolarity in crystals, assuming that the dynamics of polar cluster formation corresponds to the concept of configurational entropy. Experimental data and explanations for many manifestations of intrinsic polarity in crystals are presented.
VL  - 1
IS  - 3
ER  -

Copy | Download