本文選題：硒化錫　切入點(diǎn)：硫化錫　出處：《中國科學(xué)院大學(xué)學(xué)報(bào)》2017年01期 　論文類型：期刊論文

【摘要】：硒化錫(Sn Se)和硫化錫(Sn S)是具有廣泛應(yīng)用前景的熱電材料和光電材料。通過應(yīng)用第一性原理方法,系統(tǒng)地研究硒化錫和硫化錫的力學(xué)性質(zhì)和能帶結(jié)構(gòu),探討應(yīng)變對(duì)其性質(zhì)的影響。發(fā)現(xiàn)這些性質(zhì)是各向異性的。計(jì)算應(yīng)變-應(yīng)變曲線、楊氏模量、聲子譜、聲速和應(yīng)變下的能帶結(jié)構(gòu)。發(fā)現(xiàn)硒化錫和硫化錫是具有負(fù)泊松率的拉脹材料,它們可用于傳感器和生物醫(yī)學(xué)等領(lǐng)域;在Z方向施加單軸-5%到5%的應(yīng)變時(shí),硒化錫的帶隙從0.7 e V變到1.03 e V,硫化錫的帶隙從0.85 e V變到1.41 e V,表明應(yīng)變是調(diào)控硒化錫和硫化錫太陽能轉(zhuǎn)換效率的一種有效方法。
[Abstract]:Sn-Se) and Sn-S2SO4 are thermoelectric and optoelectronic materials with wide application prospects. The mechanical properties and energy band structures of Sn-Se and Sn-S2SO4 are systematically studied by first principle method. It is found that these properties are anisotropic. The strain strain curve, Young's modulus, phonon spectrum are calculated. It is found that tin selenide and tin sulphide are tensile expansion materials with negative Poisson's rate, which can be used in sensor, biomedical and other fields. The band gap of tin selenide changed from 0.7 EV to 1.03 EV, and the band gap of tin sulfide changed from 0.85 EV to 1.41 EV, indicating that strain is an effective method to control the conversion efficiency of solar-energy between tin selenide and stannous sulfide.
【作者單位】： 中國科學(xué)院大學(xué)物理科學(xué)學(xué)院;中國科學(xué)院大學(xué)材料科學(xué)與光電技術(shù)學(xué)院;
【基金】：國家自然科學(xué)基金(11574309) 國家重點(diǎn)基礎(chǔ)研究發(fā)展(973)計(jì)劃項(xiàng)目(2012CB932901)資助
【分類號(hào)】：O482

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1 王榮;硒化錫納米晶可控制備及其薄膜性質(zhì)研究[D];中國科學(xué)技術(shù)大學(xué);2014年

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