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Electronic structure of BaSnO3 investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations
Hwanhui Yun, Mehmet Topsakal, Abhinav Prakash +6
There has been growing interest in perovskite BaSnO3 due to its desirable properties for oxide electronic devices including high electron mobility at room temperature and optical t…
Evolutionary optimization of PAW data-sets for accurate high pressure simulations
Kanchan Sarkar, Mehmet Topsakal, N. A. W. Holzwarth +1
We examine the challenge of performing accurate electronic structure calculations at high pressures by comparing the results of all-electron full potential linearized augmented-pla…
A New Line Defect in NdTiO3 Perovskite
Jong Seok Jeong, Mehmet Topsakal, Peng Xu +3
Perovskite oxides form an eclectic class of materials owing to their structural flexibility in accommodating cations of different sizes and valences. They host well known point and…