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本文使用基于多体微扰理论的GW+BSE方法,对新近合成的二维层状材料C2N[1]进行了理论研究.从单层到体相材料,C2N电子带隙从3.74eV减小到1.89 eV.
层状C2N体系电子结构和光学性质的GW+BSE的理论研究
【摘 要】
：
本文使用基于多体微扰理论的GW+BSE方法,对新近合成的二维层状材料C2N[1]进行了理论研究.从单层到体相材料,C2N电子带隙从3.74eV减小到1.89 eV.
【机 构】
：
中国科学技术大学合肥微尺度物质科学国家实验室,安徽合肥,230026 中国科学技术大学国际量子功能
【出 处】
：
中国化学会第30届学术年会
【发表日期】
：
2016年7期
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