碱金属辅助下硅基和锗基类沸石同素异构体的理论设计与性能预测
11574133
2015
A2002.凝聚态物质力热光电性质
孙建
面上项目
教授
南京大学
62万元
从头算;光吸收性质;晶体结构预测;高压相变;半导体材料
2016-01-01到2019-12-31
- 中英文摘要
- 结题摘要
- 结题报告
- 项目成果
- 项目参与人
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| 序号 | 标题 | 类型 | 作者 |
|---|---|---|---|
| 1 | Origin of superconductivity in the Weyl semimetal WTe2 under pressure | 期刊论文 | Lu Pengchao;Kim Joon-Seok;Yang Jing;Gao Hao;Wu Juefei;Shao Dexi;Li Bin;Zhou Dawei;Sun Jian;Akinwande Deji;Xing Dingyu;Lin Jung-Fu |
| 2 | Composite topological nodal lines penetrating the Brillouin zone in orthorhombic AgF2 | 期刊论文 | Shao Dexi;Wang Huaiqiang;Chen Tong;Lu Pengchao;Gu Qinyan;Sheng Li;Xing Dingyu;Sun Jian |
| 3 | High-temperature superconducting phase of HBr under pressure predicted by first-principles calculations | 期刊论文 | Gu Qinyan;Lu Pengchao;Xia Kang;Sun Jian;Xing Dingyu |
| 4 | Pressure-Induced New Topological Weyl Semimetal Phase in TaAs | 期刊论文 | Zhou Yonghui;Lu Pengchao;Du Yongping;Zhu Xiangde;Zhang Ganghua;Zhang Ranran;Shao Dexi;Chen Xuliang;Wang Xuefei;Tian Mingliang;Sun Jian;Wan Xiangang;Yang Zhaorong;Yang Wenge;Zhang Yuheng;Xing Dingyu |
| 5 | Pressure-induced multiband superconductivity in pyrite PtBi2 with perfect electron-hole compensation | 期刊论文 | Chen Xuliang;Shao Dexi;Gu Chuanchuan;Zhou Yonghui;An Chao;Zhou Ying;Zhu Xiangde;Chen Tong;Tian Mingliang;Sun Jian;Yang Zhaorong |
| 6 | Predictions on High-Power Trivalent Metal Pentazolate Salts | 期刊论文 | Xia Kang;Yuan Jianan;Zheng Xianxu;Liu Cong;Gao Hao;Wu Qiang;Sun Jian |
| 7 | Silicon clathrates for photovoltaics predicted by a two-step crystal structure search | 期刊论文 | Wu Juefei;Gao Hao;Xia Kang;Xing Dingyu;Sun Jian |
| 8 | Unusual phonon density of states and response to the superconducting transition in the In-doped topological crystalline insulator Pb0.5Sn0.5Te | 期刊论文 | Ran Kejing;Zhong Ruidan;Chen Tong;Gan Yuan;Wang Jinghui;Winn B. L.;Christianson A. D.;Li Shichao;Ma Zhen;Bao Song;Cai Zhengwei;Xu Guangyong;Tranquada J. M.;Gu Genda;Sun Jian;Wen Jinsheng |
| 9 | A novel superhard tungsten nitride predicted by machine-learning accelerated crystal structure search | 期刊论文 | Xia Kang;Gao Hao;Liu Cong;Yuan Jianan;Sun Jian;Wang Hui-Tian;Xing Dingyu |
| 10 | Ground states of Au2Pb and pressure-enhanced superconductivity | 期刊论文 | Wu Juefei;Feng Zili;Wang Jinghui;Chen Qun;Ding Chi;Chen Tong;Guo Zhaopeng;Wen Jinsheng;Shi Youguo;Xing Dingyu;Sun Jian |
| 11 | Experimental evidence of crystal symmetry protection for the topological nodal line semimetal state in ZrSiS | 期刊论文 | Gu C C;Hu J;Chen X L;Guo Z P;Fu B T;Zhou Y H;An C;Zhou Y;Zhang R R;Xi C Y;Gu Q Y;Park C;Shu H Y;Yang W G;Pi L;Zhang Y H;Yao Y G;Yang Z R;Zhou J H;Sun J;Mao Z Q;Tian M L |
| 12 | Structural evolution behavior of manganese monophosphide under high pressure: experimental and theoretical study | 期刊论文 | Yu Zhenhai;Wu Wei;Lu Pengchao;Zhao Jinggeng;Cheng Jinguang;Hu Qingyang;Yuan Ye;Li Xin;Pei Cuiying;Chen Fengjiao;Yan Zhipeng;Yan Shuai;Yang Ke;Sun Jian;Luo Jianlin;Wang Lin |
| 13 | Pressure-Stabilized High-Energy-Density Alkaline-Earth-Metal Pentazolate Salts | 期刊论文 | Xia Kang;Zheng Xianxu;Yuan Jianan;Liu Cong;Gao Hao;Wu Qiang;Sun Jian |
| 14 | Robust double Weyl semimetal phase in a nonmagnetic hexagonal lattice system | 期刊论文 | Lu Penchao;Chen Tong;Shao Dexi;Guo Zhaopeng;Wang Xiaomeng;Sun Jian |
| 15 | High-pressure phases of Weyl semimetals NbP, NbAs, TaP, and TaAs | 期刊论文 | Guo ZhaoPeng;Lu PengChao;Chen Tong;Wu JueFei;Sun Jian;Xing DingYu |
| 16 | Predicting three-dimensional icosahedron-based boron B-60 | 期刊论文 | He Xin Ling;Shao Xi;Chen Tong;Tai Yu Ke;Weng Xiao Ji;Chen Qun;Dong Xiao;Gao Guoying;Sun Jian;Zhou Xiang Feng;Tian Yongjun;Wang Hui Tian |
| 17 | Pressure-induced structural and electronic transitions in bismuth iodide | 期刊论文 | Wang Xiaomeng;Wu Juefei;Wang Jinghui;Chen Tong;Gao Hao;Lu Pengchao;Chen Qun;Ding Chi;Wen Jinsheng;Sun Jian |
| 18 | Prediction of pressure-induced stabilization of noble-gas-atom compounds with alkali oxides and alkali sulfides | 期刊论文 | Gao Hao;Sun Jian;Pickard Chris J.;Needs Richard J. |
| 19 | Pressure-induced superconductivity in a three-dimensional topological material ZrTe5 | 期刊论文 | Zhou Yonghui;Wu Juefei;Ning Wei;Li Nana;Du Yongping;Chen Xuliang;Zhang Ranran;Chi Zhenhua;Wang Xuefei;Zhu Xiangde;Lu Pengchao;Ji Cheng;Wan Xiangang;Yang Zhaorong;Sun Jian;Yang Wenge;Tian Mingliang;Zhang Yuheng;Mao Ho-kwang |
| 20 | Pressure Induced Enhancement of Superconductivity in LaRu2P2 | 期刊论文 | Li Baoxuan;Lu Pengchao;Liu Jianzhong;Sun Jian;Li Sheng;Zhu Xiyu;Wen Hai-Hu |
| 21 | Anharmonic effect driven topological phase transition in PbO2 predicted by first-principles calculations | 期刊论文 | Chen Tong;Shao Dexi;Lu Pengchao;Wang Xiaomeng;Wu Juefei;Sun Jian;Xing Dingyu |
| 22 | Multiple superionic states in helium-water compounds | 期刊论文 | Liu Cong;Gao Hao;Wang Yong;Needs Richard J;Pickard Chris J;Sun Jian;Wang Hui Tian;Xing Dingyu |
| 23 | Pressure-induced metallization and superconducting phase in ReS2 | 期刊论文 | Dawei Zhou;Yonghui Zhou;Chunying Pu;Xuliang Chen;Pengchao Lu;Xuefei Wang;Chao An;Ying Zhou;Feng Miao;Ching-Hwa Ho;Jian Sun;Zhaorong Yang;Dingyu Xing |
| 24 | Strain-induced quantum topological phase transitions in Na3Bi | 期刊论文 | Shao Dexi;Ruan Jiawei;Wu Juefei;Chen Tong;Guo Zhaopeng;Zhang Haijun;Sun Jian;Sheng Li;Xing Dingyu |
| 25 | Improve the performance of machine-learning potentials by optimizing descriptors | 期刊论文 | Gao Hao;Wang Junjie;Sun Jian |
| 26 | Superconducting Single-Layer T-Graphene and Novel Synthesis Routes | 期刊论文 | Gu Qinyan;Xing Dingyu;Sun Jian |
| 27 | Ground state structure of high-energy-density polymeric carbon monoxide | 期刊论文 | Xia Kang;Sun Jian;Pickard Chris J.;Klug Dennis D.;Needs Richard J. |
| 28 | Nonsymmorphic symmetry protected node-line semimetal in the trigonal YH3 | 期刊论文 | Shao Dexi;Chen Tong;Gu Qinyan;Guo Zhaopeng;Lu Pengchao;Sun Jian;Sheng Li;Xing Dingyu |
| 29 | Topological Dirac line nodes and superconductivity coexist in SnSe at high pressure | 期刊论文 | Chen Xuliang;Lu Pengchao;Wang Xuefei;Zhou Yonghui;An Chao;Zhou Ying;Xian Cong;Gao Hao;Guo Zhaopeng;Park Changyong;Hou Binyang;Peng Kunling;Zhou Xiaoyuan;Sun Jian;Xiong Yimin;Yang Zhaorong;Xing Dingyu;Zhang Yuheng |
| 30 | Pressure-induced anomalous enhancement of insulating state and isosymmetric structural transition in quasi-one-dimensional TiS3 | 期刊论文 | An Chao;Lu Pengchao;Chen Xuliang;Zhou Yonghui;Wu Juefei;Zhou Ying;Park Changyong;Gu Chuanchuan;Zhang Bowen;Yuan Yifang;Sun Jian;Yang Zhaorong |
| 31 | Direct visualization of a two-dimensional topological insulator in the single-layer 1T '-WTe2 | 期刊论文 | Jia Zhen-Yu;Song Ye-Heng;Li Xiang-Bing;Ran Kejing;Lu Pengchao;Zheng Hui-Jun;Zhu Xin-Yang;Shi Zhi-Qiang;Sun Jian;Wen Jinsheng;Xing Dingyu;Li Shao-Chun |
| 32 | Concurrence of superconductivity and structure transition in Weyl semimetal TaP under pressure | 期刊论文 | Yufeng Li;Yonghui Zhou;Zhaopeng Guo;Fei Han;Xuliang Chen;Pengchao Lu;Xuefei Wang;Chao An;Ying Zhou;Jie Xing;Guan Du;Xiyu Zhu;Huan Yang;Jian Sun;Zhaorong Yang;Wenge Yang;Ho-Kwang Mao;Yuheng Zhang;Hai-Hu Wen |
| 33 | Evidence for a Dirac nodal-line semimetal in SrAs3 | 期刊论文 | Li Shichao;Guo Zhaopeng;Fu Dongzhi;Pan Xing-Chen;Wang Jinghui;Ran Kejing;Bao Song;Ma Zhen;Cai Zhengwei;Wang Rui;Yu Rui;Sun Jian;Song Fengqi;Wen Jinsheng |
| 34 | Unveiling the charge density wave inhomogeneity and pseudogap state in 1T-TiSe2 | 期刊论文 | Zhang Kai-Wen;Yang Chao-Long;Lei Bin;Lu Pengchao;Li Xiang-Bing;Jia Zhen-Yu;Song Ye-Heng;Sun Jian;Chen Xianhui;Li Jian-Xin;Li Shao-Chun |
| 35 | The influence of tensile strain on water adsorbed on Fe (100) surface: Surface chemistry aspect of stress corrosion cracking | 期刊论文 | Liu Weijia;Sun Jian;Ye Cheng |
| 36 | Superhard and superconducting B6C | 期刊论文 | Xia Kang;Ma Mengdong;Liu Cong;Gao Hao;Chen Qun;He Julong;Sun Jian;Wang Hui-Tian;Tian Yongjun;Xing Dingyu |
| 37 | A novel superhard tungsten nitride predicted by machine-learning accelerated crystal structure search | 期刊论文 | Xia Kang;Gao Hao;Liu Cong;Yuan Jianan;Sun Jian;Wang Hui-Tian;Xing Dingyu |
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