TY - JOUR
T1 - Optoelectronic and magnetic properties of Mn-doped indium tin oxide
T2 - A first-principles study
AU - Nath Tripathi, Madhvendra
AU - Saeed Bahramy, Mohammad
AU - Shida, Kazuhito
AU - Sahara, Ryoji
AU - Mizuseki, Hiroshi
AU - Kawazoe, Yoshiyuki
PY - 2012/10/1
Y1 - 2012/10/1
N2 - The manganese doped indium tin oxide (ITO) has integrated magnetics, electronics, and optical properties for next generation multifunctional devices. Our first-principles density functional theory (DFT) calculations show that the manganese atom replaces b-site indium atom, located at the second coordination shell of the interstitial oxygen in ITO. It is also found that both anti-ferromagnetic and ferromagnetic behaviors are realizable. The calculated magnetic moment of 3.95 μ B/Mn as well as the high transmittance of ∼ 80% for a 150 nm thin film of Mn doped ITO is in good agreement with the experimental data. The inclusion of on-site Coulomb repulsion corrections via DFT+U methods turns out to improve the optical behavior of the system. The optical behaviors of this system reveal its suitability for the magneto-opto-electronic applications.
AB - The manganese doped indium tin oxide (ITO) has integrated magnetics, electronics, and optical properties for next generation multifunctional devices. Our first-principles density functional theory (DFT) calculations show that the manganese atom replaces b-site indium atom, located at the second coordination shell of the interstitial oxygen in ITO. It is also found that both anti-ferromagnetic and ferromagnetic behaviors are realizable. The calculated magnetic moment of 3.95 μ B/Mn as well as the high transmittance of ∼ 80% for a 150 nm thin film of Mn doped ITO is in good agreement with the experimental data. The inclusion of on-site Coulomb repulsion corrections via DFT+U methods turns out to improve the optical behavior of the system. The optical behaviors of this system reveal its suitability for the magneto-opto-electronic applications.
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U2 - 10.1063/1.4757036
DO - 10.1063/1.4757036
M3 - Article
AN - SCOPUS:84867518095
VL - 112
JO - Journal of Applied Physics
JF - Journal of Applied Physics
SN - 0021-8979
IS - 7
M1 - 073105
ER -