Enhancement of energy storage in epitaxial PbZrO3 antiferroelectric films using
strain engineering
Jun Ge1,2, Denis Remiens2, Xianlin Dong1, Ying Chen1, Jean Costecalde2, Feng Gao1,
Fei Cao1, Genshui Wang1*
1
Key Laboratory of Inorganic Functional Materials and Devices
Shanghai Institute of Ceramics
Chinese Academy of Sciences
1295 Dingxi Road, Shanghai 200050, China
*Email: genshuiwang@mail.sic.ac.cn
2
IEMN-DOAE-MIMM, CNRS UMR 8520
Université de Valenciennes et du Hainaut Cambrésis
59313 Valenciennes Cedex 9,Cité scientifique, France
59655 Villeneuve-d’Ascq Cedex, France
Calculation of in-plane strain of PZ(001)/STO
Figure S1 shows the (103) plane scan of (001) PbZrO3 film. The split (103)
reflections support a tetragonal structure. The peaks at ~77.5o correspond to the
LaNiO3 electrode.
Figure S1. X-ray diffraction patterns of (103) scan for (001) PbZrO3 epitaxial
film on SrTiO3
Preparation and characteristic of PZ(001)/Si, PZ(110)/Si and PZ(110)-poly/STO
To prepare PbZrO3 films with different orientations on various substrates, it is
important to obtain appropriate orientation of LaNiO3 bottom electrodes first. LaNiO3
thin films were deposited by RF magnetron sputtering. A 3-in.-diameter
stoichiometric target for LaNiO3 thin films was made by using a conventional
mixing-oxides method, The as-deposited films were annealed under air atmosphere at
700oC for 1 hour. The sputtering parameters and texture condition of LaNiO3 films are
concluded in Table S1.
Table S1. Summary of sputtering parameters and texture condition of LaNiO3
films
Sample Power
Working Atmosphere Substrate Preferred
No.
pressure
S1
density
O2/(Ar+O2)
(W/cm2) (Pa)
(%)
1.8
0
1
Epitaxial
Type
orientation Condition
SrTiO3
(100)
uniaxially
textured
S2
1.8
1
0
Si
(110)
uniaxially
textured
S3
1.8
1
20
SrTiO3
(100)
Fully
epitaxial
S4
1.8
1
20
Si
(100)
uniaxially
textured
Figure.S2 shows the XRD patterns of LaNiO3 films deposited on different
substrates. It can be seen that S2 shows preferential (110) orientation whereas S1, S4
show high (100)-orientation texture. However, all LaNiO3 films except S3 are
uniaxially textured, hence the PbZrO3 films grown upon these LaNiO3 electrode
might probably not epitaxial.
Figure.S2. θ-2θ XRD patterns of LaNiO3 films on different substrates
Figure S3 shows the XRD patterns of PZ(110)/Si, PZ(001)/Si and
PZ(110)-poly/STO. It can be seen that for sample PZ(110)/Si and PZ(001)/Si, PbZrO3
followed the orientation of bottom electrode hence show (110)/(101) and (001)
orientation, respectively. Interestingly, for sample PZ(110)-poly/STO, the PbZrO3
exhibits (110)/(101) orientation in spite that the bottom electrode LaNiO3 is
(100)-oriented.
The fact that PbZrO3 film on S1 doesn’t follow the orientation of S1 can be
explained by the large lattice misfit. It can be calculated that the lattice parameter a0
of S1 is ~3.81Å whereas a0 of S3 and S4 is ~3.87Å. The lattice parameter a0 of
PbZrO3 is ~4.15Å hence the lattice misfit is much larger between PbZrO3 and S1
which makes it more difficult to facilitate grain-on-grain growth.
Figure.S3. θ-2θ XRD patterns of PbZrO3 films on Si substrate with different LaNiO3
bottom electrode
The in-plane texture of all three samples was examined by XRD Ф scan. Figure
S4 shows the Ф scan of the (110) peak of PZ(001)/Si. The Ф scan pattern of
PZ(110)/Si and PZ(110)-poly/STO (not shown here) are similar. The results indicate
that all samples are uniaxially textured with no in-plane texture.
Figure.S4. Ф scan of (110) peak of PZ(001)/Si