Nanostructure Effect on Magnetization Processes in FePt Polytwin Crystals.

In FePt polytwin crystals with large magnetocrystalline anisotropy, the boundaries may play a crucial role in the magnetization processes occurring under an external magnetic field. In this study, we employed phase-field modeling and computer simulations to systematically investigate the effect of three types of polytwin boundaries-namely, symmetric (Type I), asymmetric (Type II), and mixed (Type III) boundaries-on magnetization processes as well as coercive fields under an external magnetic field along various directions. Because of the large anisotropy of FePt, the domain wall motion mechanism is usually dominant in the domain switching processes, while the magnetization rotation mechanism only becomes important at the late magnetization stage under a high external magnetic field. Among these three types of polytwin boundaries, the low coercivity is mainly due to the domain wall motion process, which starts from the intersection point at the polytwin boundary. The coercive field for the mixed polytwin boundary (Type III) is always in between the values of Type I and II.

Phase-Field Study of Exchange Coupling in Co-Pt Nonstandard Nanochessboards.

The Co-Pt binary system can form a two-phase nanochessboard structure comprising regularly aligned nanorods of magnetically hard tetragonal L10 phase and magnetically soft cubic L12 phase. This Co-Pt nanochessboard, being an exchange-coupled magnetic nanocomposite, exhibits a strong effect on magnetic domains and coercivity. While the ideal nanochessboard structure has tiles with equal edge lengths (a = b), the non-ideal or nonstandard nanochessboard structure has tiles with unequal edge lengths (a ≠ b). In this study, we employed phase-field modeling and computer simulation to systematically investigate the exchange coupling effect on magnetic properties in nonstandard nanochessboards. The simulations reveal that coercivity is dependent on the length scale, with magnetic hardening occurring below the critical exchange length, followed by magnetic softening above the critical exchange length, similar to the standard nanochessboards. Moreover, the presence of unequal edge lengths induces an anisotropic exchange coupling and shifts the coercivity peak with the length scale.

Near-ideal electromechanical coupling in textured piezoelectric ceramics.

Electromechanical coupling factor, k, of piezoelectric materials determines the conversion efficiency of mechanical to electrical energy or electrical to mechanical energy. Here, we provide an fundamental approach to design piezoelectric materials that provide near-ideal magnitude of k, via exploiting the electrocrystalline anisotropy through fabrication of grain-oriented or textured ceramics. Coupled phase field simulation and experimental investigation on <001> textured Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 ceramics illustrate that k can reach same magnitude as that for a single crystal, far beyond the average value of traditional ceramics. To provide atomistic-scale understanding of our approach, we employ a theoretical model to determine the physical origin of k in perovskite ferroelectrics and find that strong covalent bonding between B-site cation and oxygen via d-p hybridization contributes most towards the magnitude of k. This demonstration of near-ideal k value in textured ceramics will have tremendous impact on design of ultra-wide bandwidth, high efficiency, high power density, and high stability piezoelectric devices.

Ultrahigh Piezoelectric Performance through Synergistic Compositional and Microstructural Engineering.

Piezoelectric materials enable the conversion of mechanical energy into electrical energy and vice-versa. Ultrahigh piezoelectricity has been only observed in single crystals. Realization of piezoelectric ceramics with longitudinal piezoelectric constant (d33 ) close to 2000 pC N-1 , which combines single crystal-like high properties and ceramic-like cost effectiveness, large-scale manufacturing, and machinability will be a milestone in advancement of piezoelectric ceramic materials. Here, guided by phenomenological models and phase-field simulations that provide conditions for flattening the energy landscape of polarization, a synergistic design strategy is demonstrated that exploits compositionally driven local structural heterogeneity and microstructural grain orientation/texturing to provide record piezoelectricity in ceramics. This strategy is demonstrated on [001]PC -textured and Eu3+ -doped Pb(Mg1/3 Nb2/3 )O3 -PbTiO3 (PMN-PT) ceramics that exhibit the highest piezoelectric coefficient (small-signal d33 of up to 1950 pC N-1 and large-signal d33 * of ≈2100 pm V-1 ) among all the reported piezoelectric ceramics. Extensive characterization conducted using high-resolution microscopy and diffraction techniques in conjunction with the computational models reveals the underlying mechanisms governing the piezoelectric performance. Further, the impact of losses on the electromechanical coupling is identified, which plays major role in suppressing the percentage of piezoelectricity enhancement, and the fundamental understanding of loss in this study sheds light on further enhancement of piezoelectricity. These results on cost-effective and record performance piezoelectric ceramics will launch a new generation of piezoelectric applications.

Origin of Magnetism in γ-FeSi2/Si(111) Nanostructures.

Magnetism has recently been observed in nominally nonmagnetic iron disilicide in the form of epitaxial γ-FeSi2 nanostructures on Si(111) substrate. To explore the origin of the magnetism in γ-FeSi2/Si(111) nanostructures, we performed a systematic first-principles study based on density functional theory. Several possible factors, such as epitaxial strain, free surface, interface, and edge, were examined. The calculations show that among these factors, only the edge can lead to the magnetism in γ-FeSi2/Si(111) nanostructures. It is shown that magnetism exhibits a strong dependency on the local atomic structure of the edge. Furthermore, magnetism can be enhanced by creating multiple-step edges. In addition, the results also reveal that edge orientation can have a significant effect on magnetism. These findings, thus, provide insights into a strategy to tune the magnetic properties of γ-FeSi2/Si(111) nanostructures through controlling the structure, population, and orientation of the edges.

Electric Field Control of Magnetic Permeability in Co-Fired Laminate Magnetoelectric Composites: A Phase-Field Study for Voltage Tunable Inductor Applications.

Control of magnetic permeability through electric field in magnetoelectric materials promises to create novel voltage tunable inductors (VTIs). VTIs synthesized using co-fired ceramic processing exhibit many advantages over traditional epoxy bonding method, but the internal residual stress in co-fired VTIs resulting from thermal expansion mismatch hinders a full exploitation of the tunability of permeability. To find the optimal condition for high tunability of co-fired VTIs, domain-level phase field modeling and computer simulation are employed to study co-fired magnetoelectric composites comprising NiZn ferrite and PZT. Two key factors important toward increasing the inductor tunability are systematically investigated: intrinsic magnetocrystalline anisotropy of the ferrite material and internal residual stress caused by the co-firing process. The simulations indicate that in order to achieve a large tunability, the tuned permeability should be confined within the linear region of the reciprocal of susceptibility and stress. Additionally, both magnetocrystalline anisotropy and residual stress should be as small as possible. These results provide a design strategy for realizing high-tunability co-fired VTIs.

Colossal tunability in high frequency magnetoelectric voltage tunable inductors.

The electrical modulation of magnetization through the magnetoelectric effect provides a great opportunity for developing a new generation of tunable electrical components. Magnetoelectric voltage tunable inductors (VTIs) are designed to maximize the electric field control of permeability. In order to meet the need for power electronics, VTIs operating at high frequency with large tunability and low loss are required. Here we demonstrate magnetoelectric VTIs that exhibit remarkable high inductance tunability of over 750% up to 10 MHz, completely covering the frequency range of state-of-the-art power electronics. This breakthrough is achieved based on a concept of magnetocrystalline anisotropy (MCA) cancellation, predicted in a solid solution of nickel ferrite and cobalt ferrite through first-principles calculations. Phase field model simulations are employed to observe the domain-level strain-mediated coupling between magnetization and polarization. The model reveals small MCA facilitates the magnetic domain rotation, resulting in larger permeability sensitivity and inductance tunability.

Enhanced Self-Biased Magnetoelectric Coupling in Laser-Annealed Pb(Zr,Ti)O3 Thick Film Deposited on Ni Foil.

Enhanced and self-biased magnetoelectric (ME) coupling is demonstrated in a laminate heterostructure comprising 4 µm-thick Pb(Zr,Ti)O3 (PZT) film deposited on 50 µm-thick flexible nickel (Ni) foil. A unique fabrication approach, combining room temperature deposition of PZT film by granule spray in vacuum (GSV) process and localized thermal treatment of the film by laser radiation, is utilized. This approach addresses the challenges in integrating ceramic films on metal substrates, which is often limited by the interfacial chemical reactions occurring at high processing temperatures. Laser-induced crystallinity improvement in the PZT thick film led to enhanced dielectric, ferroelectric, and magnetoelectric properties of the PZT/Ni composite. A high self-biased ME response on the order of 3.15 V/cm·Oe was obtained from the laser-annealed PZT/Ni film heterostructure. This value corresponds to a ∼2000% increment from the ME response (0.16 V/cm·Oe) measured from the as-deposited PZT/Ni sample. This result is also one of the highest reported values among similar ME composite systems. The tunability of self-biased ME coupling in PZT/Ni composite has been found to be related to the demagnetization field in Ni, strain mismatch between PZT and Ni, and flexural moment of the laminate structure. The phase-field model provides quantitative insight into these factors and illustrates their contributions toward the observed self-biased ME response. The results present a viable pathway toward designing and integrating ME components for a new generation of miniaturized tunable electronic devices.

Correlation between tunability and anisotropy in magnetoelectric voltage tunable inductor (VTI).

Electric field modulation of magnetic properties via magnetoelectric coupling in composite materials is of fundamental and technological importance for realizing tunable energy efficient electronics. Here we provide foundational analysis on magnetoelectric voltage tunable inductor (VTI) that exhibits extremely large inductance tunability of up to 1150% under moderate electric fields. This field dependence of inductance arises from the change of permeability, which correlates with the stress dependence of magnetic anisotropy. Through combination of analytical models that were validated by experimental results, comprehensive understanding of various anisotropies on the tunability of VTI is provided. Results indicate that inclusion of magnetic materials with low magnetocrystalline anisotropy is one of the most effective ways to achieve high VTI tunability. This study opens pathway towards design of tunable circuit components that exhibit field-dependent electronic behavior.