Ab initio study of native point defects in delafossite CuAlO_2

机译：AB Initio在Delafoseite Cualo_2中的本土缺陷研究

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

Ab initio calculations on important native point defects in delafossite CuAlO2 have bee performed to investigate the origin of its p-type conductivity. We have found that the oxygen interstitial has the lowest energy to form among the neutral defects considered in this work, while the formation energy of the copper vacancy is the second smallest. Our results indicate the introduction of the oxygen interstitial or the copper vacancy is considered as an efficient doping method to fabricate a low-resistive CuAlO_2.

机译：AB Initio计算Delafossite Cualo2中的重要天然点缺陷的计算具有蜜蜂来研究其P型电导率的起源。我们发现氧气间质口具有在这项工作中考虑的中性缺陷中形成的最低能量，而铜空缺的形成能量是第二个最小的。我们的结果表明氧气间隙或铜空缺的引入被认为是制造低电阻Cualo_2的有效掺杂方法。

著录项

来源
《International Conference on the Physics of Semiconductors》|2005年||共2页
会议地点
作者
Ikutaro Hamada; Hiroshi Katayama-Yoshida; Hiroshi Katayama-Yoshida;
展开▼
作者单位

展开▼
会议组织
原文格式 PDF
正文语种
中图分类 TN305.2-532;
关键词

相似文献

外文文献
中文文献
专利

1. The CH3OH+Cl Hydrogen Abstraction Reactions: An ab initio Study [J] . 中国化学快报（英文版） . 2001,第008期
2. Study of band-structure, optical properties and native defects in A~ⅠB~ⅢO_2 (A~Ⅰ = Cu or Ag, B~Ⅲ = Al, Ga or In) delafossites [J] . Mukesh Kumar, Hanyue Zhao, Clas Persson Semiconductor science and technology . 2013,第6期

机译：A〜ⅠB〜ⅢO_2（A〜Ⅰ= Cu或Ag，B〜Ⅲ= Al，Ga或In）铜铁矿的能带结构，光学性质和天然缺陷的研究
3. Scalable synthesis of delafossite CuAlO_2 nanoparticles for p-type dye-sensitized solar cells applications [J] . Jahangeer Ahmed, Colin K. Blakely, Jai Prakash Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2014,第Null期

机译：用于P型染料敏化太阳能电池应用的Delafossite Cualo_2纳米粒子可扩展合成
4. Degradation of Cd-yellow paints: Ab initio study of native defects in {10.0} surface CdS [J] . Giacopetti Laura, Satta Alessandra Microchemical Journal: Devoted to the Application of Microtechniques in all Branches of Science . 2016,第Null期

机译：镉黄色涂料的降解：{10.0}表面CdS中天然缺陷的从头算研究
5. Ab initio study of native point defects in delafossite CuAlO_2 [C] . Ikutaro Hamada, Hiroshi Katayama-Yoshida, Hiroshi Katayama-Yoshida International Conference on the Physics of Semiconductors . 2005

机译：AB Initio在Delafoseite Cualo_2中的本土缺陷研究
6. Ab initio study of dopant-defect interactions in graphene sheets and graphene nano-ribbons. [D] . Tawalbeh, Tarek. 2014

机译：从头开始研究石墨烯片和石墨烯纳米带中的掺杂剂-缺陷相互作用。
7. Ab initio Study of Anchoring Groups for CuGaO2 Delafossite-Based p-Type Dye Sensitized Solar Cells [O] . Ana B. Muñoz-García, Laura Caputo, Eduardo Schiavo, 1970

机译：基于CuGaO2铜铁矿的p型染料敏化太阳能电池锚定基团的从头算研究
8. Effects of Ga doping on magnetic and ferroelectric properties of multiferroic delafossite CuCrO2 : Ab initio and Monte Carlo approaches [O] . Ahmed Albaalbaky, Yaroslav Kvashnin, Renaud Patte, 2018

机译：Ga掺杂对多元型Delafossite的磁性和铁电性质的影响Cucro2：AB Initio和Monte Carlo方法

Ab initio study of native point defects in delafossite CuAlO_2

摘要

著录项

相似文献

相关主题

期刊订阅