Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight
The main advantage of using ferroelectric materials as a component of complex heterostructures is the ability to tune various properties of the whole system by means of an external electric field. In particular, the electric field may change the polarization direction within the ferroelectric materi...
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MDPI AG
2023-10-01
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| author | Irina Piyanzina Alexander Evseev Kirill Evseev Rinat Mamin Oleg Nedopekin Dmitrii Tayurskii Viktor Kabanov |
| author_facet | Irina Piyanzina Alexander Evseev Kirill Evseev Rinat Mamin Oleg Nedopekin Dmitrii Tayurskii Viktor Kabanov |
| author_sort | Irina Piyanzina |
| collection | DOAJ |
| description | The main advantage of using ferroelectric materials as a component of complex heterostructures is the ability to tune various properties of the whole system by means of an external electric field. In particular, the electric field may change the polarization direction within the ferroelectric material and consequently affect the structural properties, which in turn affects the electronic and magnetic properties of the neighboring material. In addition, ferroelectrics allow the electrostriction phenomenon to proceed, which is promising and can be used to affect the magnetic states of the interface state in the heterostructure through a magnetic component. The interfacial phenomena are of great interest, as they provide extended functionality useful for next-generation electronic devices. Following the idea of utilizing ferroelectrics in heterostructural components in the present works, we consider 2DEG, the Rashba effect, the effect of magnetoelectric coupling, and magnetostriction in order to emphasize the advantages of such heterostructures as components of devices. For this purpose, model systems of LaMnO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, La<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>2</mn></msub></semantics></math></inline-formula>CuO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>4</mn></msub></semantics></math></inline-formula>/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, Bi/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, and Bi/PbTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, Fe/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula> heterostructures are investigated using density functional theory calculations. |
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| last_indexed | 2024-03-10T21:05:31Z |
| publishDate | 2023-10-01 |
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| series | Materials |
| spelling | doaj.art-2c02fe16c13f4816adb1d0f43dcc97c22023-11-19T17:10:39ZengMDPI AGMaterials1996-19442023-10-011620667210.3390/ma16206672Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT InsightIrina Piyanzina0Alexander Evseev1Kirill Evseev2Rinat Mamin3Oleg Nedopekin4Dmitrii Tayurskii5Viktor Kabanov6Institute of Physics, Kazan Federal University, 420008 Kazan, RussiaInstitute of Physics, Kazan Federal University, 420008 Kazan, RussiaZavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RAS, 420029 Kazan, RussiaZavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RAS, 420029 Kazan, RussiaInstitute of Physics, Kazan Federal University, 420008 Kazan, RussiaInstitute of Physics, Kazan Federal University, 420008 Kazan, RussiaDepartment for Complex Matter, Jozef Stefan Institute, 1000 Ljubljana, SloveniaThe main advantage of using ferroelectric materials as a component of complex heterostructures is the ability to tune various properties of the whole system by means of an external electric field. In particular, the electric field may change the polarization direction within the ferroelectric material and consequently affect the structural properties, which in turn affects the electronic and magnetic properties of the neighboring material. In addition, ferroelectrics allow the electrostriction phenomenon to proceed, which is promising and can be used to affect the magnetic states of the interface state in the heterostructure through a magnetic component. The interfacial phenomena are of great interest, as they provide extended functionality useful for next-generation electronic devices. Following the idea of utilizing ferroelectrics in heterostructural components in the present works, we consider 2DEG, the Rashba effect, the effect of magnetoelectric coupling, and magnetostriction in order to emphasize the advantages of such heterostructures as components of devices. For this purpose, model systems of LaMnO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, La<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>2</mn></msub></semantics></math></inline-formula>CuO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>4</mn></msub></semantics></math></inline-formula>/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, Bi/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, and Bi/PbTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>, Fe/BaTiO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula> heterostructures are investigated using density functional theory calculations.https://www.mdpi.com/1996-1944/16/20/6672ferroelectricheterostructuredensity functional theory2DEGME coupling |
| spellingShingle | Irina Piyanzina Alexander Evseev Kirill Evseev Rinat Mamin Oleg Nedopekin Dmitrii Tayurskii Viktor Kabanov Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight Materials ferroelectric heterostructure density functional theory 2DEG ME coupling |
| title | Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight |
| title_full | Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight |
| title_fullStr | Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight |
| title_full_unstemmed | Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight |
| title_short | Advantages of Ferroelectrics as a Component of Heterostructures for Electronic Purposes: A DFT Insight |
| title_sort | advantages of ferroelectrics as a component of heterostructures for electronic purposes a dft insight |
| topic | ferroelectric heterostructure density functional theory 2DEG ME coupling |
| url | https://www.mdpi.com/1996-1944/16/20/6672 |
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