Electronic and temperature dependent transport properties of ultrathin As and Sb nanowires

Abstract

We have studied electronic and thermoelectric properties of ultrathin arsenic nanowire (As-NW) and antimony nanowire (Sb-NW). We have considered linear and rectangular structure of As and Sb. The negative value of binding energy shows its stability for all the structures. Electronic band structure of linear As-NW and Sb-NW shows formation of Dirac cone above Fermi level and quantum conductance of 2G0. Rectangular As-NW and Sb-NW shows band gap of 0.17eV and 0.78eV, respectively. Linear As-NW shows highest electrical and thermal conductivity with a value of 8.45×1019Ω−1m−1s−1 and 0.58×1015Wm−1K−1s−1 at room temperature, respectively. The rectangular Sb-NW shows least electrical and thermal conductivity. Linear structure of Sb-NW shows highest specific heat among the considered NWs. Figure of merit decreases linearly with increase in temperature for rectangular As-NW and Sb-NW while linear As-NW and SbNW shows parabolic variation with temperature. These ultrathin nanowires could emerge as possible applicant in the field of nanoelectronics and thermoelectric devices.We have studied electronic and thermoelectric properties of ultrathin arsenic nanowire (As-NW) and antimony nanowire (Sb-NW). We have considered linear and rectangular structure of As and Sb. The negative value of binding energy shows its stability for all the structures. Electronic band structure of linear As-NW and Sb-NW shows formation of Dirac cone above Fermi level and quantum conductance of 2G0. Rectangular As-NW and Sb-NW shows band gap of 0.17eV and 0.78eV, respectively. Linear As-NW shows highest electrical and thermal conductivity with a value of 8.45×1019Ω−1m−1s−1 and 0.58×1015Wm−1K−1s−1 at room temperature, respectively. The rectangular Sb-NW shows least electrical and thermal conductivity. Linear structure of Sb-NW shows highest specific heat among the considered NWs. Figure of merit decreases linearly with increase in temperature for rectangular As-NW and Sb-NW while linear As-NW and SbNW shows parabolic variation with temperature. These ultrathin nanowires could emerge as possible applicant...