STUDIES ON THE BAND STRUCTURES OF SOME LAVES-PHASE COMPOUNDS

Cai SH.; Liu CW.

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STUDIES ON THE BAND STRUCTURES OF SOME LAVES-PHASE COMPOUNDS

机译：几种贫相化合物的能带结构研究

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The band structures of several real and dummy Laves-phase compounds, AB(2) (A = Zr, Hf; B = Re, V, Mo), have been calculated by use of the tight-binding method within the extended Huckel approximation (EHT). The energy bands, the densities of states and the crystal orbital overlap populations of these compounds are discussed. A new relationship between the bonding property and the superconducting transition temperature (T-c) of these compounds is revealed. [References: 33]

机译：在扩展的Huckel近似中使用紧密结合方法计算了几种真实和伪Laves相化合物AB（2）的能带结构（A = Zr，Hf; B = Re，V，Mo）（ EHT）。讨论了这些化合物的能带，态密度和晶体轨道重叠种群。揭示了这些化合物的键合性能与超导转变温度（T-c）之间的新关系。 [参考：33]

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《Polyhedron: The International Journal for Inorganic and Organometallic Chemistry》 |1995年第24期|共8页
作者
Cai SH.; Liu CW.;
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正文语种 eng
中图分类化学;无机化学;
关键词
Electronic-structure; Intermetallic compounds; C15 compounds; Superconductivity; Magnetism; Zrv2; Zrzn2;

机译：电子结构;金属间化合物;C15化合物;超导;磁性;Zrv2;Zrzn2;

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专利

1. STUDIES ON THE BAND STRUCTURES OF SOME LAVES-PHASE COMPOUNDS [J] . Cai SH., Liu CW. Polyhedron: The International Journal for Inorganic and Organometallic Chemistry . 1995,第23a24期

机译：几种贫相化合物的能带结构研究
2. EELS near-edge structure in the Laves-phase compounds TiCr_2 and TiCo_2: Theoretical and experimental studies [J] . J. Sun, B. Jiang, David J. Smith Physical review. B, Condensed Matter And Materals Physics . 2004,第21期

机译：Laves相化合物TiCr_2和TiCo_2中的EELS近缘结构：理论和实验研究
3. Study of the 18-electron band gap and ferromagnetism in semi-Heusler compounds by non-spin-polarized electronic band structure calculations [J] . D. Jung, H.-J. Koo, M.-H. Whangbo Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2000,第1a3期

机译：通过非自旋极化电子能带结构计算研究半霍斯勒化合物中的18电子带隙和铁磁性
4. Ab‐initio Study of Electronic Band Structures of CdBAs_2 (B? = ?Si, Ge and Sn) Chalcopyrite Compounds [C] . Hardev Singh, Mukhtiyar Singh, Manish K. Kashyap International Conference on Advances in Condensed and Nano Materials . 2011

机译：CDBAS_2（B？=β=γ，GE，SN）的电子带结构的AB-INITIO研究黄铜化合物
5. NMR relaxation rate studies of molecular motions in NaSn, the Laves-phase metal hydride C15-ZrCr(2)H(x) and carbon/epoxy composite materials. [D] . Stoddard, Ronald Dean. 1997

机译：在NaSn，Laves相金属氢化物C15-ZrCr（2）H（x）和碳/环氧复合材料中的分子运动的NMR弛豫速率研究。
6. Crystal Structures Hirshfeld Surfaces and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 44’-Bipyridine and Dibromoacetates [O] . Agnieszka Czylkowska, Anna Pietrzak, Małgorzata Szczesio, 2020

机译：La（III）和SM（III）和SM（III）配位化合物的晶体结构HIRSHFELD表面和热学研究具有44-吡啶和二溴乙酸酯
7. Band structure and transport studies of half Heusler compound DyPdBi: An efficient thermoelectric material [O] . Valluri, Sree Ram, Roberts, Ken, Deshmukh, P C, 2016

机译：半霍斯勒化合物DyPdBi的能带结构和传输研究：一种有效的热电材料
8. Crystal Structure, Preparation, Hydrogen Absorbtion and ElectrochemicalProperties of AB2 Laves-Phase Pseudobinary Intermetalic Compounds [R] . Michailova, P. 1997

机译：aB2 Laves相伪互补金属间化合物的晶体结构，制备，吸氢及电化学性质

STUDIES ON THE BAND STRUCTURES OF SOME LAVES-PHASE COMPOUNDS

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