Chalcopyrite Compounds;
Electronic Structure and optical properties;
D O I:
10.1063/1.4710385
中图分类号:
O59 [应用物理学];
学科分类号:
摘要:
The Electronic properties of chalcopyrite AgMX2 (M= Al, Ga, In; X= S, Se, Te) compounds are studied theoretically by means of full potential Linear Muffin Tin Orbital Method. The equilibrium volume, bulk modulus and indirect energy band gap for the compounds are calculated and compared with the available data and found to be in good agreement. The structural as well as optical properties like dielectric functions, degree of anisotropy and refractive index are also calculated.
机构:
Univ Witwatersrand, Sch Phys, Natl Inst Theoret Phys, ZA-2050 Johannesburg, South Africa
Univ Witwatersrand, Mandelstam Inst Theoret Phys, ZA-2050 Johannesburg, South AfricaUniv South Africa, Sch Interdisciplinary Res & Grad Studies, Pretoria, South Africa
机构:
Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R ChinaHenan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R China
Feng, Fei
Lv, Fengdong
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机构:
Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R ChinaHenan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R China
Lv, Fengdong
Zheng, Gongping
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机构:
Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R ChinaHenan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R China
Zheng, Gongping
Wang, Guangtao
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机构:
Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R ChinaHenan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Henan, Peoples R China
Wang, Guangtao
INTERNATIONAL JOURNAL OF MODERN PHYSICS B,
2020,
34
(18):
机构:
College of Chemistry and Chemical Engineering, State Key Laboratory Breeding Base of Photocatalysis, Fuzhou UniversityCollege of Chemistry and Chemical Engineering, State Key Laboratory Breeding Base of Photocatalysis, Fuzhou University
丁开宁
加伟
论文数: 0引用数: 0
h-index: 0
机构:
College of Chemistry and Chemical Engineering, State Key Laboratory Breeding Base of Photocatalysis, Fuzhou UniversityCollege of Chemistry and Chemical Engineering, State Key Laboratory Breeding Base of Photocatalysis, Fuzhou University
加伟
章永凡
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h-index: 0
机构:
College of Chemistry and Chemical Engineering, State Key Laboratory Breeding Base of Photocatalysis, Fuzhou UniversityCollege of Chemistry and Chemical Engineering, State Key Laboratory Breeding Base of Photocatalysis, Fuzhou University
机构:
Swami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of ScienceSwami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of Science
Aman Kumar
Rahul Kumar
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h-index: 0
机构:
Subharti Polytechnic College,Department of Mechanical EngineeringSwami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of Science
Rahul Kumar
Deepti Saxena
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h-index: 0
机构:
Swami Vivekanand Subharti University,Department of PhysicsSwami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of Science
Deepti Saxena
Vivek Kumar Nautiyal
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机构:
Lucknow University,Department of PhysicsSwami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of Science
Vivek Kumar Nautiyal
Anuj Kumar
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h-index: 0
机构:
University Road,Department of PhysicsSwami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of Science
Anuj Kumar
Nazia Iram
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h-index: 0
机构:
Chaudhary Charan Singh University,Computational Materials Physics Laboratory, Institute of Physics (IoP)Swami Vivekanand Subharti University,Department of Physics, K.V. Subharti College of Science
机构:
Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710119, Shaanxi, Peoples R China
Ningxia Med Univ, Sch Sci, Ningxia 750004, Peoples R ChinaShaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710119, Shaanxi, Peoples R China
Tian, Xing-Hua
Zhang, Jian-Min
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h-index: 0
机构:
Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710119, Shaanxi, Peoples R ChinaShaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710119, Shaanxi, Peoples R China