Thermal Properties of CdO within Mie-Gruneisen Hypothesis

被引:1
作者
Patel, A. D. [1 ]
Khambholja, S. G. [1 ]
Bhatt, N. K. [1 ]
Thakore, B. Y. [1 ]
Jani, A. R. [1 ]
机构
[1] Sardar Patel Univ, Dept Phys, Vallabh Vidyanaga 388120, Gujarat, India
来源
INTERNATIONAL CONFERENCE ON ADVANCES IN CONDENSED AND NANO MATERIALS (ICACNM-2011) | 2011年 / 1393卷
关键词
Mie-Gruneisen hypothesis; Equation of State; Melting curve; Thermal pressure; CdO; THERMODYNAMIC PROPERTIES; TRANSITION;
D O I
10.1063/1.3653620
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Cadmium Oxide (CdO) is an attractive semiconductor due to its large number of industrial applications such as in the production of solar cells, liquid-crystal displays, electrochromic devices, LED, etc. Theoretically, complete ab initio investigations at elevated temperatures are restricted due largely to computational complexity of much body nature. We have therefore used an empirical consistent-iterative scheme to include thermal effect by combining the universal equation of state (UEOS) to Mie-Gruneisen hypothesis. It is demonstrate that from the knowledge of cohesive properties at ambient condition various thermodynamic properties can be predicted at finite temperatures and pressures. We have calculated the isothermal equation of state, thermal expansion, thermal pressure, heat capacity at constant volume, and temperature variation of isothermal bulk modulus. Result so obtain are compared and analyzed with recent ab initio results as well as experimental data. Also, we have calculated the melting curve for CdO using Gilivarry law. Due to unavailability of other results for high-P melting curve for CdO, we compared our prediction with corresponding results for elemental Cadmium. Based on this comparison, we can infer qualitative understanding on the effect of bonding on the melting temperature of the studied oxide.
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相关论文
共 10 条
  • [1] [Anonymous], J NANOELE P IN PRESS
  • [2] Preface to Special Topic: Selected Papers from the International Conference on Flexible and Printed Electronics, Jeju Island, Korea, 2009
    Daniel, Jurgen
    Cho, Gyoujin
    Burke, Peter
    Javey, Ali
    [J]. JOURNAL OF APPLIED PHYSICS, 2010, 108 (10)
  • [3] Kratu E., 1996, PHYS REV, V151, P688
  • [4] NEW MELTING LAW AT HIGH PRESSURES
    KRAUT, EA
    KENNEDY, GC
    [J]. PHYSICAL REVIEW LETTERS, 1966, 16 (14) : 608 - &
  • [5] Stability of rocksalt phase of zinc oxide under strong compression: Synchrotron X-ray diffraction experiments and first-principles calculation studies
    Liu, Haozhe
    Tse, John S.
    Mao, Ho-kwang
    [J]. JOURNAL OF APPLIED PHYSICS, 2006, 100 (09)
  • [6] Theoretical investigation on the high-pressure structural transition and thermodynamic properties of cadmium oxide
    Lu, Cheng
    Kuang, Xiao-Yu
    Wang, Su-Juan
    Zhao, Ya-Ru
    Tan, Xiao-Ming
    [J]. EPL, 2010, 91 (01)
  • [7] Patel A. D., 2011, INT S SEM D IN PRESS
  • [8] Patel A. D., 55 SOL STAT PHYS S D
  • [9] LATTICE PARAMETERS OF CADMIUM OXIDE AT ELEVATED TEMPERATURES
    SINGH, HP
    DAYAL, B
    [J]. SOLID STATE COMMUNICATIONS, 1969, 7 (10) : 725 - &
  • [10] First-principles calculations of transition phase and thermodynamic properties of CdO
    Yao, Liping
    Peng, Feng
    Fu, Hongzhi
    Cheng, Xinlu
    [J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2008, 245 (06): : 1113 - 1117