Theoretical prediction and characterization of high pressure structures and properties of calcium

被引:0
|
作者
Klug, Dennis D. [1 ]
Yao, Yansun [2 ]
Tse, John S. [2 ]
Sun, Jian [1 ]
Le Page, Yvon [3 ]
机构
[1] Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON K1A 0R6, Canada
[2] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada
[3] Natl Res Council Canada, ICPET, Ottawa, ON K1A 0R6, Canada
关键词
ab initio calculations; calcium; high pressure studies;
D O I
10.1107/S010876730809867X
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
MS.19.2
引用
收藏
页码:C42 / C42
页数:1
相关论文
共 50 条
  • [31] Theoretical prediction for energy absorption properties of 3D lattice structures
    Yin, Hanfeng
    Wang, Ning
    Wu, Lijia
    Wen, Guilin
    Liu, Jie
    THIN-WALLED STRUCTURES, 2025, 210
  • [32] Theoretical prediction of crystal structures of rubrene
    Obata, Shigeaki
    Miura, Toshiaki
    Shimoi, Yukihiro
    JAPANESE JOURNAL OF APPLIED PHYSICS, 2014, 53 (01)
  • [33] Theoretical prediction of crystal structures of rubrene
    Obata, Shigeaki
    Miura, Toshiaki
    Shimoi, Yukihiro
    Japanese Journal of Applied Physics, 2014, 53 (1 PART 2)
  • [34] THEORETICAL PREDICTION OF THE STRUCTURES AND STABILITIES OF AZIDAMINES
    MICHELS, HH
    MONTGOMERY, JA
    CHRISTE, KO
    DIXON, DA
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (01): : 187 - 194
  • [35] Calculations of superconducting properties in yttrium and calcium under high pressure
    Lei, Shi
    Papaconstantopoulos, D. A.
    Mehl, Michael J.
    PHYSICAL REVIEW B, 2007, 75 (02):
  • [36] Phase transition and elastic properties of calcium chalcogenides at high pressure
    Arya, B. S.
    Aynyas, Mahendra
    Sanyal, Sankar P.
    JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS, 2008, 10 (06): : 1311 - 1314
  • [37] High pressure study of structural and electronic properties of calcium chalcogenides
    Charifi, Z
    Baaziz, H
    Hassan, FEH
    Bouarissa, N
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (26) : 4083 - 4092
  • [38] Theoretical investigation on the structural and thermodynamic properties of FeSe at high pressure and high temperature
    Lu Cheng
    Yang Xing-Qiang
    Zhu Chun-Ye
    Kuang Xiao-Yu
    DALTON TRANSACTIONS, 2012, 41 (32) : 9781 - 9788
  • [39] Prediction of stable high-pressure structures of tantalum nitride TaN
    Wandong Xing
    Zijie Wei
    Rong Yu
    Fanyan Meng
    Journal of Materials Science & Technology, 2019, 35 (10) : 2297 - 2304
  • [40] Prediction of Novel High-Pressure Structures of Magnesium Niobium Dihydride
    Zhang, Chuanzhao
    Sun, Guoliang
    Wang, Jingjing
    Lu, Cheng
    Jin, Yuanyuan
    Kuang, Xiaoyu
    Hermann, Andreas
    ACS APPLIED MATERIALS & INTERFACES, 2017, 9 (31) : 26169 - 26176