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Antiferroelectric negative capacitance from a structural phase transition in zirconia.

ABSTRACT: Crystalline materials with broken inversion symmetry can exhibit a spontaneous electric polarization, which originates from a microscopic electric dipole moment. Long-range polar or anti-polar order of such permanent dipoles gives rise to ferroelectricity or antiferroelectricity, respectively. However, the recently discovered antiferroelectrics of fluorite structure (HfO₂ and ZrO₂) are different: A non-polar phase transforms into a polar phase by spontaneous inversion symmetry breaking upon the application of an electric field. Here, we show that this structural transition in antiferroelectric ZrO₂ gives rise to a negative capacitance, which is promising for overcoming the fundamental limits of energy efficiency in electronics. Our findings provide insight into the thermodynamically forbidden region of the antiferroelectric transition in ZrO₂ and extend the concept of negative capacitance beyond ferroelectricity. This shows that negative capacitance is a more general phenomenon than previously thought and can be expected in a much broader range of materials exhibiting structural phase transitions.

SUBMITTER: Hoffmann M

PROVIDER: S-EPMC8907358 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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Antiferroelectric negative capacitance from a structural phase transition in zirconia.

Hoffmann Michael M Wang Zheng Z Tasneem Nujhat N Zubair Ahmad A Ravindran Prasanna Venkatesan PV Tian Mengkun M Gaskell Anthony Arthur AA Triyoso Dina D Consiglio Steven S Tapily Kandabara K Clark Robert R Hur Jae J Pentapati Sai Surya Kiran SSK Lim Sung Kyu SK Dopita Milan M Yu Shimeng S Chern Winston W Kacher Josh J Reyes-Lillo Sebastian E SE Antoniadis Dimitri D Ravichandran Jayakanth J Slesazeck Stefan S Mikolajick Thomas T Khan Asif Islam AI

Nature communications 20220309 1

Crystalline materials with broken inversion symmetry can exhibit a spontaneous electric polarization, which originates from a microscopic electric dipole moment. Long-range polar or anti-polar order of such permanent dipoles gives rise to ferroelectricity or antiferroelectricity, respectively. However, the recently discovered antiferroelectrics of fluorite structure (HfO<sub>2</sub> and ZrO<sub>2</sub>) are different: A non-polar phase transforms into a polar phase by spontaneous inversion symme ...[more]

PMID: 35264570

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Project description:We analyze the ferroelectric domain-wall induced negative capacitance (NC) effect in Metal-FE-Insulator-Metal (MFIM) and Metal-FE-Insulator-Semiconductor (MFIS) stacks through phase-field simulations by self-consistently solving time-dependent Ginzburg Landau equation, Poisson's equation and semiconductor charge equations. Considering Hf0.5Zr0.5O2 as the ferroelectric material, we study 180° ferroelectric domain formation in MFIM and MFIS stacks and their polarization switching characteristics. Our analysis signifies that the applied voltage-induced polarization switching via soft domain-wall displacement exhibits non-hysteretic characteristics. In addition, the change in domain-wall energy, due to domain-wall displacement, exhibits a long-range interaction and thus, leads to a non-homogeneous effective local negative permittivity in the ferroelectric. Such effects yield an average negative effective permittivity that further provides an enhanced charge response in the MFIM stack, compared to Metal-Insulator-Metal. Furthermore, we show that the domain-wall induced negative effective permittivity is not an intrinsic property of the ferroelectric material and therefore, is dependent on its thickness, the gradient energy coefficient and the in-plane permittivity of the underlying insulator. Similar to the MFIM stack, MFIS stack also exhibits an enhanced charge/capacitance response compared to Metal-Oxide-Semiconductor (MOS) capacitor. Simultaneously, the multi-domain state of the ferroelectric induces non-homogeneous potential in the underlying insulator and semiconductor layer. At low applied voltages, such non-homogeneity leads to the co-existence of electrons and holes in an undoped semiconductor. In addition, we show that with the ferroelectric layer being in the 180° multi-domain state, the minimum potential at the ferroelectric-dielectric interface and hence, the minimum surface potential in the semiconductor, does not exceed the applied voltage (in-spite of the local differential amplification and charge enhancement).

Dataset Information

Antiferroelectric negative capacitance from a structural phase transition in zirconia.

Publications

Antiferroelectric negative capacitance from a structural phase transition in zirconia.

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