Structural, elastic, thermodynamic, and electronic properties of BaHfO3: A first-principles study using GGA-PBEsolA

被引:0
|
作者
Sun, L.
机构
关键词
D O I
暂无
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Structural, elastic, thermodynamic, and electronic properties of BaHfO3: A first-principles study using GGA-PBEsol
    Benatia, Mohamed
    Driss-Khodja, Fatima-Zohra
    Saadaoui, Fatiha
    Driss-Khodja, Mohammed
    Boudali, Abdelkader
    COMPUTATIONAL CONDENSED MATTER, 2018, 16
  • [2] First-principles calculations for the structural, elastic and thermodynamic properties of cubic perovskite BaHfO3 under pressure
    Gu, Fang
    Chen, Yun-Yun
    Zhang, Xian-Ling
    Zhang, Jia-Hong
    Liu, Qing-Quan
    PHYSICA SCRIPTA, 2014, 89 (10)
  • [3] First principles study of structural, elastic, electronic and optical properties of the cubic perovskite BaHfO3
    Bouhemadou, A.
    Djabi, F.
    Khenata, R.
    PHYSICS LETTERS A, 2008, 372 (24) : 4527 - 4531
  • [4] Structural, elastic, and electronic properties of cubic perovskite BaHfO3 obtained from first principles
    Zhao, Hongsheng
    Chang, Aimin
    Wang, Yunlan
    PHYSICA B-CONDENSED MATTER, 2009, 404 (16) : 2192 - 2196
  • [5] Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites
    Ahmed, Shahbaz
    Zulfiqar, Waqas
    Javed, Farrukh
    Arshad, Hurriya
    Abbas, Ghulam
    Laref, Amel
    Alay-e-Abbas, Syed Muhammad
    JOURNAL OF ALLOYS AND COMPOUNDS, 2022, 892
  • [6] Mechanical, electronic, chemical bonding and optical properties of cubic BaHfO3: First-principles calculations
    Liu, Qi-Jun
    Liu, Zheng-Tang
    Feng, Li-Ping
    Tian, Hao
    PHYSICA B-CONDENSED MATTER, 2010, 405 (18) : 4032 - 4039
  • [7] First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of UN
    Mei, Zhi-Gang
    Stan, Marius
    Pichler, Benjamin
    JOURNAL OF NUCLEAR MATERIALS, 2013, 440 (1-3) : 63 - 69
  • [8] First-principles evaluation of electronic and optical properties of (Mo, C) codoped BaHfO3 for applications in photocatalysis
    Akhtar, Shaheen
    Alay-e-Abbas, Syed Muhammad
    Abbas, Syed Muhammad Ghulam
    Arshad, Muhammad Imran
    Batool, Javaria
    Amin, Nasir
    JOURNAL OF APPLIED PHYSICS, 2018, 123 (16)
  • [9] First-principles study of the (001) surface of cubic PbHfO3 and BaHfO3
    倪广鑫
    王渊旭
    Chinese Physics B, 2009, 18 (03) : 1194 - 1200
  • [10] First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of uranium aluminides
    Mei, Zhi-Gang
    Yacout, Abdellatif M.
    COMPUTATIONAL MATERIALS SCIENCE, 2019, 158 : 26 - 31