High Pressure Phase of Arsenic and Antimony

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概要

• 論文の詳細を見る

• For two group-5B elements, arsenic and antimony, the total energies of the simplecubic (sc) and body centered cubic (bcc) structures are calculated within the localdensity functional formalism using ab initio pseudopotentials. Calculated equationsof state for the high pressure phase, the sc arsenic and the bcc antimony, are in excellent agreement with the experimental ones. In order to see the difference betweenthe phase transitions for both elements, the total energies are also calculated forhypothetical pseudopotentials, which are so constructed as to have an s (or p) level be-tween arsenic's and antimony's ones. It is shown that the difference is mainly due tothe p level.[5B element, high pressure phase, arsenic, antimony, simple cubic structure, l[ body centered cubic structure, theoryl

• 社団法人日本物理学会の論文
• 1989-03-15

著者

• SHINDO Koichi

  College of Humanities and Social Science, Iwate University

• Orita N

  National Inst. Advanced Industrial Sci. And Technol. (aist) Tsukuba Jpn

• Orita Nozomi

  Department Of Physics Tohoku University

• Shindo Koichi

  College Of Humanities And Social Science Iwate University

• SASAKI Taizo

  National Research Institute for Metals

• Shindo Koichi

  College Of Humanities And Social Science

関連論文

• The Electronic Structure and Atomic Configuration of Hydrogen in Silicon
• Structural Phase Transitions and Equations of State of Se and Te under High Pressure
• The Band Structure of Solid Iodine under Pressure and the Mechanism of the Pressure-Induced Insulator-to-Metal Transition
• The APW Band Calculation of Cs_3Sb
• Strucrural Stability and Band Structure of the Mentallic Phase of Phosphorus
• Density-Functional Molecular-Dynamics Method
• A Pressure-Induced Isostructural Transition in Black Phosphorus
• The Equation of State of Xenon under High Pressure
• Pressure Dependence of Energy Gap in CsI Crystal
• Calculation of the Electronic Structure of Positive Muon and Boron at the Tetrahedral Interstitial Site in Silicon
• On Metallization of CsI under Pressure
• High Pressure Phase of Arsenic and Antimony
• The Electronic Structure of Compounds under Pressure
• Pressure-Induced NaCl and β-Sn Structures of InSb
• Replica Exchange MC Simulations of the Two-Dimensional Site-Random Ising Model
• Electronic Structure of Black Phosphorus in Self-Consistent Pseudopotential Approach
• Structural Phase Transition in InSb under Pressure
• Theoretical Study on the Pressure-Induced Instability of the B1 structure of Ionic Materials
• The Transverse Effective Charge of the IV-VI Compound Semiconductors

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