Structural and electronic properties of ZnO under high pressure

Cui, Shouxin; Feng, Wenxia; Hu, Haiquan; Feng, Zhenbao; Wang, Yuanxu

doi:10.1016/j.jallcom.2008.08.052

Cited by 43 publications

(12 citation statements)

References 30 publications

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“…Others weak peak are none clearly seen and have an average intensity along the tested of 2. Both of data within the range angle of 30°-40° matched perfectly referring to a PDF database of Cui Shouxin, et.al (2009) [15]. Using granular source indicates the greater intensity compared to the pellets with same parameter and condition applied.…”

Section: X-ray Diffraction (Xrd) Studiessupporting

confidence: 78%

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Characterization of Zinc Oxide (ZnO) piezoelectric properties for Surface Acoustic Wave (SAW) device

et al. 2017

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Abstract. In fabricating Surface Acoustic Wave (SAW) biosensors device, the substrate is one of important factors that affected to performance device. there are many types of piezoelectric substrate in the markets and the cheapest is zinc Oxide substrate. Zinc Oxide (ZnO) with its unique properties can be used as piezoelectric substrate along with SAW devices for detection of DNA in this research. In this project, ZnO thin film is deposited onto silicon oxide substrate using electron beam evaporation (E-beam) and SolGel technique. Different material structure is used to compare the roughness and best piezoelectric substrate of ZnO thin film. Two different structures of ZnO target which are pellet and granular are used for e-beam deposition and one sol-gel liquid were synthesize and compared. Parameter for thickness of ZnO e-beam deposition is fixed to a 0.1kÅ for both materials structure and sol-gel was coat using spin coat technique. After the process is done, samples are annealed at temperature of 500C for 2 hours. The structural properties of effect of post annealing using different material structure of ZnO are studied using Atomic Force Microscopic (AFM) for surface morphology and X-ray Diffraction (XRD) for phase structure.

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Section: X-ray Diffraction (Xrd) Studiessupporting

confidence: 78%

“…Since samples had undergone annealing process, when temperature increases thus pressure also increases. After annealing, wurtzite ZnO is compressed which reduced the height and shifted down energy [15]. For the Sol-Gel analysis the samples exhibit 2θ peak at 31.8°, 34.3° and 36.4°, and 47.6°.…”

Section: X-ray Diffraction (Xrd) Studiesmentioning

confidence: 99%

Characterization of Zinc Oxide (ZnO) piezoelectric properties for Surface Acoustic Wave (SAW) device

et al. 2017

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“…Bulk zinc oxide is known to crystallize in three structure types: hexagonal wurtzite, cubic sphalerite (ZnS) and cubic rocksalt (NaCl) [38,39]. The wurtzite structure is the most stable one at ambient conditions and thus most common.…”

Section: Zinc Oxide (Zno)mentioning

confidence: 99%

Structure Prediction for PbS and ZnO at Different Pressures and Visualization of the Energy Landscapes

et al. 2011

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An important issue in modern solid state chemistry is the development of a general methodology to predict the possible (meta)-stable modifications of a solid. This requires the global exploration of the energy landscape of the chemical system, since each stable phase corresponds to a locally ergodic region of the landscape. The global search in the lead sulfide system has been performed with simulated annealing on the ab initio level, while zinc oxide was studied with an empirical potential using simulated annealing, both at standard and elevated pressure (up to 100 GPa). The local optimization of the modifications found in the PbS system was performed using various density functionals. Next, the energy E(V ) and enthalpy H(p) as function of volume and pressure, respectively, were computed for these modifications and their electronic structure was analyzed. The structures found for ZnO were locally optimized on ab initio level (DFT and Hartree-Fock). In both systems the structures found were in good agreement with the experiment. Furthermore, we employed the threshold algorithm to explore the barrier structure of the landscape of ZnO as function of the number of formula units in the simulation cell. Based on the barrier and minima information 2-D models of the energy landscape were constructed.

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“…With the developments of modern computer [8] and high-pressure technology and equipment [9], more and more experts devote to finding new phase and studying their novel properties of ZnO under pressure. Some experts found and studied the high-pressure phase NaCl phase (B1) by experiment and theory [5,10,11]. With theory, other experts also predicted and studied the possible highpressure phase (such as CsCl (B2), PbO (B10) and NiAs phase) [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

GGA+U study of the electronic and optical properties of hexagonal BN phase ZnO under pressure

Wang

Zhou²,

et al. 2015

Computational Materials Science

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Structural and electronic properties of ZnO under high pressure

Cited by 43 publications

References 30 publications

Characterization of Zinc Oxide (ZnO) piezoelectric properties for Surface Acoustic Wave (SAW) device

Characterization of Zinc Oxide (ZnO) piezoelectric properties for Surface Acoustic Wave (SAW) device

Structure Prediction for PbS and ZnO at Different Pressures and Visualization of the Energy Landscapes

GGA+U study of the electronic and optical properties of hexagonal BN phase ZnO under pressure

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