Work

Structural stability and thermoelectric property optimization of Ca 2 Si

Year: 2017

Type: article

Abstract: By using an ab initio evolutionary algorithm structure search, low enthalpy criterion as well as stability analysis, we have found that cubic Fm 3̄ m Ca 2 Si can be achieved under a negative external pressure.

Source: RSC Advances

DOI: 10.1039/c6ra28125g

Authors: Rui Xiong, Baisheng Sa, Naihua Miao, Yan-Ling Li, Jian Zhou, Yuanchun Pan, Cuilian Wen, Bo Wu, Zhimei Sun

Institutions: Fuzhou University, Beihang University, Jiangsu Normal University

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

Funders: National Natural Science Foundation of China, Natural Science Foundation of Fujian Province, Priority Academic Program Development of Jiangsu Higher Education Institutions, Qinglan Project of Jiangsu Province of China

Awards: G1290283804, 新型碱金属-碳族化合物及其衍生碳族元素同素异形体的理论设计和物性研究, G1823507285, G2575691670, G3704762036, G4844465628, G5300472523, G5667401394, G6646797485, G7736499207

OpenAlex ID: W2585640134

FWCI: 0.742

Cites: 60

Cited by: 19

Related to: 10