Mn ions' site and valence in PbTiO3 based on the native vacancy defects

Mn ions' site and valence in PbTiO3 based on the native vacancy defects

Mn ions' doping site and valence were studied in PbTiO3 (PT) with the native vacancy defects by the first-principles calculations. Firstly, the native vacancy defects of Pb, O and Ti in PT were investigated and it was found that Pb vacancy is preferred to others. And then the growth of Mn doped...

Full description

Bibliographic Details
Main Authors:	H. Xin, Q. Pang, D. L. Gao, L. Li, P. Zhang, J. Zhao
Format:	Article
Language:	English
Published:	Institute for Condensed Matter Physics 2021-06-01
Series:	Condensed Matter Physics
Subjects:	mn doping pt native defects defect formation energy bader charge
Online Access:	http://www.icmp.lviv.ua/journal/zbirnyk.106/23705/abstract.html

Similar Items

Effects of Mono-Vacancies of Oxygen and Manganese on the Properties of the MnO<sub>2</sub>/Graphene Heterostructure
by: Juan David Morinson-Negrete, et al.
Published: (2022-04-01)

Influence of neutron and gamma irradiation on the electrocaloric properties of Mn-doped 0.9Pb(Mg1/3Nb2/3)O3–0.1PbTiO3 ceramics
by: Ankita Sarkar, et al.
Published: (2023-01-01)

Factors influencing the charge distribution on Pd x Pt y bimetallic nanoparticles
by: Carlos M. Celis-Cornejo, et al.
Published: (2013-12-01)

Ultrahigh density defects of Mn3O4 boosting oxygen evolution reaction
by: Zhou Yanan, et al.
Published: (2023-01-01)

Native Umbilical Defect for Laparoscopic Entry
by: Tarek Osama Hegazy, et al.
Published: (2020-09-01)

Recent Developments on Relaxor-PbTiO<sub>3</sub> Ferroelectric Crystals
by: Lkhagvasuren Baasandorj, et al.
Published: (2021-12-01)

Engineering the Electrical and Optical Properties of WS2 Monolayers via Defect Control
by: Michele Giovanni Bianchi, et al.
Published: (2024-01-01)

Ferromagnetic behavior of native point defects and vacancy-clusters in ZnO studied by first principle calculation
by: Cai-Qin Luo, et al.
Published: (2020-01-01)

Pt Deposites on TiO<sub>2</sub> for Photocatalytic H<sub>2</sub> Evolution: Pt Is Not Only the Cocatalyst, but Also the Defect Repair Agent
by: Zhan Shu, et al.
Published: (2020-09-01)

Dielectric Relaxor and Conductivity Mechanism in Fe-Substituted PMN-32PT Ferroelectric Crystal
by: Xiaojuan Li, et al.
Published: (2019-05-01)

Influence of defects on the structural, optical, photoluminescence and magnetic properties of Cr/Mn dual doped ZnO nanostructures
by: C. Prabakar, et al.
Published: (2021-06-01)

Charge transfer of carbon nanomaterials for efficient metal‐free electrocatalysis
by: Rajib Paul, et al.
Published: (2022-01-01)

The “Native Experiment”: the formation of the Bantu Presbyterian Church and the defects of faith transplanted on African soil
by: Vellem, Vuyani S.
Published: (2013-05-01)

The Charge State of Pt in Binary Compounds and Synthetic Minerals Determined by X-ray Absorption Spectroscopy and Quantum Chemical Calculations
by: Polina V. Evstigneeva, et al.
Published: (2021-01-01)

The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects
by: Zhiwu Bie, et al.
Published: (2023-09-01)

Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO<sub>2</sub>(101) Surface
by: Leila Kalantari, et al.
Published: (2021-11-01)

Different point defects originated from dissimilar deposition conditions in n-type Cu-doped Bi2Te3 films; crystal structure and thermoelectric property depending on Te-vacancy concentration
by: Byeong Geun Kim, et al.
Published: (2021-11-01)

Relaxation-Related Piezoelectric and Dielectric Behavior of Bi(Mg,Ti)O<sub>3</sub>–PbTiO<sub>3</sub> Ceramic
by: Min Young Park, et al.
Published: (2019-05-01)

Molecular Dynamics Analysis of Graphene Nanoelectromechanical Resonators Based on Vacancy Defects
by: Wenhua Li, et al.
Published: (2022-05-01)

N-Doped Carbon-Coated ZnS with Sulfur-Vacancy Defect for Enhanced Photocatalytic Activity in the Visible Light Region
by: Hao Peng, et al.
Published: (2019-11-01)

Density Functional Theory Study of CO<sub>2</sub> Hydrogenation on Transition-Metal-Doped Cu(211) Surfaces
by: Yushan Wang, et al.
Published: (2023-03-01)

Defective nanomaterials for electrocatalysis oxygen reduction reaction
by: Zhanxin Mao, et al.
Published: (2022-10-01)

Effects of Mn-doping on the structure and electrical properties of Sm-PMN-PT piezoceramics
by: Chaofeng Wu, et al.
Published: (2023-06-01)

Catalytic Behavior of Ag-Mn Catalyst for Efficient Toluene Removal at Low Temperature: Effect of Redox Property
by: Xuejun Zhang, et al.
Published: (2022-12-01)

Aggregation of ODC(I) and POL Defects in Bismuth Doped Silica Fiber
by: Xiaofei Li, et al.
Published: (2023-01-01)

Defect engineering of BCZT-based piezoelectric ceramics with high piezoelectric properties
by: Xinjian Wang, et al.
Published: (2021-12-01)

Nitrogen-Doped Carbon Nanosheets Decorated With Mn2O3 Nanoparticles for Excellent Oxygen Reduction Reaction
by: Maryam Qasim, et al.
Published: (2019-11-01)

The catalytic oxidation performance of toluene over the MnOx catalysts: Effect of MnSO4 content
by: Zhongxian Song, et al.
Published: (2022-12-01)

The Sound of RBG
by: Mateusz Grochowski
Published: (2023-12-01)

Zn‐doped MnOx nanowires displaying plentiful crystalline defects and tunable small cross-sections for an optimized volcano-type performance towards supercapacitors
by: Geyse A. C. Ribeiro, et al.
Published: (2023-12-01)

Vacancy Defects Induced Magnetism in Armchair Graphdiyne Nanoribbon
by: Somayeh Fotoohi, et al.
Published: (2019-12-01)

Effect of reconstructed vacancy defects on the crumpling behavior of graphene sheets
by: Yangchao Liao, et al.
Published: (2022-02-01)

Pb(Zn1/3Nb2/3)O3–PbTiO3 single crystal and device development
by: L. C. Lim, et al.
Published: (2014-01-01)

Effects of vacancy defect on the tensile behavior of graphene
by: Xiaoyu Sun, et al.
Published: (2014-01-01)

THE EFFECT OF Mg AND Fe DOPANTS ON CONCENTRATION OF COMPLEX DEFECTS ASSOCIATED WITH OH-GROUPS IN THE LITHIUM NIOBATE CRYSTAL
by: L.A. Bobreva, et al.
Published: (2019-12-01)

Defect Passivation of CsPbBr3 with AgBr for High‐Performance All‐Inorganic Perovskite Solar Cells
by: Shoulong Chen, et al.
Published: (2021-06-01)

In-gap states and local structures around substitutional defects in La- or Nb-doped n-type SrTiO3
by: Rei Akasegawa, et al.
Published: (2024-01-01)

Domain structure and dielectric diffusion-relaxation characteristics of ternary PbO3–PbO3–PbTiO3 ceramics
by: Xudong Qi, et al.
Published: (2022-12-01)

First-Principles Assessment of the Structure and Stability of 15 Intrinsic Point Defects in Zinc-Blende Indium Arsenide
by: Qing Peng, et al.
Published: (2019-01-01)

Anion‐Vacancy‐Defect Passivation of a 2D‐Layered Tin‐Based Perovskite Thin‐Film Transistor with Sulfur Doping
by: Jae‐Hyeok Cho, et al.
Published: (2023-03-01)