First-principle calculations on the geometry and relaxation structure of anatase TiO2(101) surface

Ma Xin-Guo; Tang Chao-Qun; Huang Jin-Qiu; Hu Lian-Feng; Xue Xia; Zhou Wen-Bin

doi:10.7498/aps.55.4208

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Ma Xin-Guo, Tang Chao-Qun, Huang Jin-Qiu, Hu Lian-Feng, Xue Xia, Zhou Wen-Bin. First-principle calculations on the geometry and relaxation structure of anatase TiO2(101) surfaceJ. Acta Physica Sinica, 2006, 55(8): 4208-4213. DOI: 10.7498/aps.55.4208

Citation:

Ma Xin-Guo, Tang Chao-Qun, Huang Jin-Qiu, Hu Lian-Feng, Xue Xia, Zhou Wen-Bin. First-principle calculations on the geometry and relaxation structure of anatase TiO2(101) surfaceJ. Acta Physica Sinica, 2006, 55(8): 4208-4213. DOI: 10.7498/aps.55.4208

Citation:

Ma Xin-Guo, Tang Chao-Qun, Huang Jin-Qiu, Hu Lian-Feng, Xue Xia, Zhou Wen-Bin. First-principle calculations on the geometry and relaxation structure of anatase TiO2(101) surfaceJ. Acta Physica Sinica, 2006, 55(8): 4208-4213. DOI: 10.7498/aps.55.4208