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physics.comp-ph2019★ 15 cited
Effect of mechanical strain on the optical properties of nodal-line semimetal ZrSiS
Weiqing Zhou, A. N. Rudenko, Shengjun Yuan
Optical properties of nodal-line semimetal ZrSiS are studied using first-principles calculations. Frequency-independent optical conductivity is a fingerprint of the infrared optica…
physics.comp-ph2019★ 26 cited
Tunable magneto-optical properties of single-layer tin diselenide: From GW approximation to large-scale tight-binding calculations
Hongxia Zhong, Jin Yu, Kaixiang Huang +1
A parameterized tight-binding (TB) model based on the first-principles GW calculations is developed for single layer tin diselenide (SnSe) and used to study its electronic and…
physics.comp-ph2019★ 198 cited
Strain-tunable magnetic and electronic properties of monolayer CrI3
Zewen Wu, Jin Yu, Shengjun Yuan
Two-dimensional CrI3 has attracted much attention as it is reported to be a ferromagnetic semiconductor with the Curie temperature around 45K. By performing first-principles calcul…