کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1607443 1516235 2016 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic phase transition and transport properties of Ti2O3
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Electronic phase transition and transport properties of Ti2O3
چکیده انگلیسی
The band structure of Ti2O3 computed by means of density functional theory using the semi-local modified Becke-Johnson approximation essentially captures the semiconductor to semi-metallic transition. The temperature effects are modeled by the Ti-Ti bond distance variation, as revealed by the experiments. The low temperature phase of Ti2O3 is an indirect band gap insulator with band gap ≃0.14 eV, which transforms to a state with both hole and electron bands crossing the Fermi energy, with an increase in the c-axial Ti-Ti bond distance.150
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 658, 15 February 2016, Pages 430-434
نویسندگان
, ,