Hybrid-functional calculations of electronic structure and phase stability of MO (M = Zn, Cd, Be, Mg, Ca, Sr, Ba) and related ternary alloy MxZn1−xO-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Hybrid-functional calculations of electronic structure and phase stability of MO (M = Zn, Cd, Be, Mg, Ca, Sr, Ba) and related ternary alloy MxZn1−xO

Published:2019 Issue:15 Volume:9 Page:8507-8514
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yu Jinying¹²³⁴,Zhang Mingke¹²³⁴,Zhang Zihan⁵⁶³⁴⁷,Wang Shangwei¹²³⁴,Wu Yelong⁵⁶³⁴⁷^ORCID

Affiliation:

1. School of Physics

2. Northwest University

3. Xi'an

4. China

5. Key Laboratory of Nonequilibrium Synthesis and Modulation of Condensed Matter (Xi'an Jiaotong University)

6. Ministry of Education

7. Shaanxi Key Laboratory of Quantum Information and Quantum Optoelectronic Devices

Abstract

M_xZn_1−xO ternary alloy formations were explored through the application of the SQS method and hybrid density functional calculations.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C9RA00362B

Reference50 articles.

1. From the absolute surface energy to the stabilization mechanism of high index polar surface in wurtzite structure: The case of ZnO

2. The stabilization mechanism and size effect of nonpolar-to-polar crystallography facet tailored ZnO nano/micro rods via a top-down strategy

3. New Reconstructions of the (110) Surface of RutileTiO2Predicted by an Evolutionary Method

4. Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations

5. Band gap and electronic structure of cubic, rhombohedral, and orthorhombicIn2O3polymorphs: Experiment and theory

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An in-depth look at the structural, electronic, optical, and thermal properties of the cubic Be_xMg_yZn_1−x−yO quaternary alloys;Physica Scripta;2024-03-19

2. Structure, pressure-induced phase transition, electronic and thermal properties of alkaline earth oxide compounds;Phase Transitions;2024-01-30

3. Design of High-Performance Photovoltaic Materials via Codoping of Cs₂AgPdX₅ (X = Cl, Br);The Journal of Physical Chemistry C;2023-12-14

4. Pressure-dependent bandgap study of MBE grown {CdO/MgO} short period SLs using diamond anvil cell;Applied Physics Letters;2022-12-12

5. Lattice instability, anharmonicity and Raman spectra of BaO under high pressure: A first principles study;Journal of Physics and Chemistry of Solids;2022-11

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3