2015/05/22 by Xiang Li, X. Li, J. -Q. Yan +7
Chemistry · Materials Science · Physics and Astronomy · #2D Materials and Applications #Chemistry #Condensed matter physics #Crystal (programming language) #Crystal structure #Crystallography #Electrical resistivity and conductivity #Geology #Iron-based superconductors research #Materials science #Monoclinic crystal system #Phase (matter) #Phase diagram #Physics #Quantum mechanics #Rare-earth and actinide compounds #Seebeck coefficient #Superconductivity #Trigonal crystal system #Type (biology) #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.92.155118
23 pages, 9 figures, 3 tables, 29 references
arxiv created 2015/05/22 · openalex publication_date 2015/10/12 · arxiv updated 2015/10/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
In a pressure-temperature (P\text\ensuremath-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-type structure is stable at low pressures. The superconducting cubic (C) phase can be synthesized under higher temperatures and pressures. A rhombohedral phase with the crystal structure similar to the C phase can be made at ambient pressure; but the phase contains a high concentration of Ir deficiency. In this paper we report that a rarely studied monoclinic (M) phase can be stabilized in narrow ranges of pressure and temperature in this P\text\ensuremath-T diagram. The peculiar crystal structure of the M\text\ensuremath-IrTe2 eliminates the tendency to form Ir-Ir dimers found in the H phase. The M phase has been fully characterized by structural determination and measurements of electrical resistivity, thermoelectric power, DC magnetization, and specific heat. These physical properties have been compared with those in the H and C phases of Ir_1\ensuremath-xTe2. Moreover, magnetic and transport properties and specific heat of the M\text\ensuremath-IrTe2 can be fully justified by calculations with the density-functional theory presented in this paper.