SUBSTITUTIONAL

作品数：33被引量：20H指数：2
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相关作者：刘义余皓王红娟段文晖杨剑更多>>
相关机构：清华大学华南理工大学中国科学院金属研究所更多>>
相关期刊：《Tungsten》《Chinese Journal of Chemical Physics》《Science China(Information Sciences)》《Journal of Rare Earths》更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划北京市自然科学基金国家高技术研究发展计划更多>>
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Structural model of substitutional sulfur in diamond
《Chinese Physics B》2019年第8期376-381,共6页Hongyu Yu Nan Gao Hongdong Li Xuri Huang Defang Duan Kuo Bao Mingfeng Zhu Bingbing Liu Tian Cui 
Project supported by the National Natural Science Foundation of China(Grant Nos.11704143,51672102,51632002,and 11604023);the National Key Research and Development Program of China(Grant Nos.2018YFA0305900 and 2016YFB0201204);the Program for Changjiang Scholars and Innovative Research Team in University(Grant No.IRT-15R23)
Based on ab initio calculations,it is found that the donor center of substitutional sulfur(S)in diamond with C2v symmetry is more stable than that with C3vsymmetry,which is different from previous reports in literatur...
关键词：SUBSTITUTIONAL SULFUR in DIAMOND STRUCTURAL model MOLECULAR dynamic simulation SUPERCELL size 
Mn overlayers on PbTe(111): Substitutional adsorption and interface formation
《Chinese Physics B》2014年第12期497-501,共5页吴海飞 张寒洁 陆赟豪 鄢永红 李海洋 鲍世宁 何丕模 
Project supported by the National Natural Science Foundation of China(Grant Nos.11074214,51202149,and 11204180);the Natural Science Foun-dation of Zhejiang Province,China(Grant No.LQ12F04001);the Scientific Research Fund of Zhejiang Provincial Education Department,China(Grant No.Y201121234);the Ministry of Science and Technology of China
The formation of the Mn/Pb Te（111） interface is investigated by photoemission spectrum. The core level behavior of Mn 2p is consistent with Mn substitutional adsorption during the initial Mn deposition, forming a（...
关键词：photoemission spectrum metal–semiconductor electronic structure PBTE 
N vacancy, substitutional O, and Al defects in the bandgap of composition-tunable nonstoichiometric AlN powder
《Chinese Physics B》2014年第6期554-562,共9页张电 刘发民 蔡鲁刚 
AlN powders are prepared by direct nitridation via Al liquid and vapor phases in mixed atmospheres of N2 and NH3 with different NH3/N2 ratios. The reaction analysis reveals that NH3 acts as catalyst for N2 dissociatio...
关键词：III-V semiconductors DEFECTS optical properties LUMINESCENCE 
Electronic structure and magnetic properties of substitutional transition-metal atoms in GaN nanotubes被引量：2
《Chinese Physics B》2014年第1期384-389,共6页张敏 史俊杰 
Project supported by the National Basic Research Program of China(Grant No.2012CB619304);the National Natural Science Foundation of China(Grant Nos.51072007,91021017,11364030,and 11047018);the Beijing Natural Science Foundation,China(Grant No.1112007)
The electronic structure and magnetic properties of the transition-metal （TM） atoms （Sc-Zn, Pt and Au） doped zigzag GaN single-walled nanotubes （NTs） are investigated using first-principles spin-polarized densit...
关键词：transition-metal atom doping electronic structure magnetic property spin-polarized density-functional calculation 
Structural phase transition behaviour of Zn_4Sb_3 and its substitutional compounds (Zn_(0.98)M_(0.02))_4Sb_3 (M = Al, Ga and In) at low temperatures
《Chinese Physics B》2009年第10期4386-4392,共7页刘峰 秦晓英 刘冕 
Project supported by the National Natural Science Foundation of China (Grant No 10774145)
Structural phase transitions of Zn4Sb3 and its substitutional compounds （Zn0.98M0.02）4Sb3 （M = Al, Ga and In） are investigated by electrical transport measurement and differential scanning calorimetry below room t...
关键词：Zn4Sb3 differential scanning calorimetry phase transition 
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