Electronic structure,lattice dynamics and thermoelectric properties of PbTe from first-principles calculation 

In this paper the electronic structure and the lattice dynamics of PbTe were investigated by using the density functional theory and the thermoelectric prope...
2012中国功能新材料学术论坛暨第三届全国电磁材料及器件…  2012-10-19 下载次数(16)| 被引次数(0)

First-principles calculations of elastic and thermodynamic properties of Al,Mg and RE elements and Intermetallic compounds 

The elastic constants of the Al, Mg and rare earth (RE) elements and intermetallic compounds have been calculated at T=0 K by using the projector augmented-wave...
第四届西部十二省(区)市物理学会联合学术交流会论文集  2008-07-01 下载次数(8)| 被引次数(0)


  国外标准  1991年 下载次数(0)| 被引次数(0)

Impact of environment gas element N on effective work function of Metal/Oxide stack:a first-principles study of the Pt/HfO_2 interface 

Modulating the effective work function(Φeff)of metal electrodes is both crucial and challenging in metal-oxide-semiconductor transistors.The introduction of ato...
第十三届全国物理力学学术会议论文摘要集  2014-10-17 下载次数(6)| 被引次数(0)


  国外标准  1993年 下载次数(0)| 被引次数(0)

First-principles calculations of structural transition and elastic properties of Si4Ge4 alloy under high pressure 

An investigation on the structure stability and elastic properties of Si4Ge4under high pressure was conducted using first-principles calculations.All calculatio...
第十八届中国高压科学学术会议缩编文集  2016-07-25 下载次数(5)| 被引次数(0)

Structure,stability,and vibrational properties of Nb_3N_3 cluster:first-principles calculations 

The structure,stability,and vibrational properties of Nb3N3cluster are studied with first-principles density functional theory calculations.
第十六届全国晶体生长与材料学术会议论文集-08纳米晶体…  2012-10-21 下载次数(8)| 被引次数(0)


The document specifies the laboratory measurement of the vibro-acoustic transfer properties of support and isolators respectively. The methods are suitable for ...
  国外标准  1999年 下载次数(0)| 被引次数(0)


《Science Bulletin》  2015年 第02期 下载次数(305)| 被引次数(6)

Oxygen vacancies in ferroelectric perovskites and their regulation from first-principles study 

Oxygen vacancy(VO)is one of the common and mobile defects,which is believed to play an important role in the electrical properties of ferroelectric materials.In...
第十三届全国物理力学学术会议论文摘要集  2014-10-17 下载次数(5)| 被引次数(0)


ISO/TC 172  国外标准  2012年 下载次数(0)| 被引次数(0)

First Principles Study of Rare-Gas Solids Under High Compression 

It is widely believed that all insulators will become metals under the application of sufficiently high pressure. For examples, Rare-gas solids, which exhibi...
《Annual Report of China Institute of Atomic Energy》  2010年 第00期 下载次数(2)| 被引次数(0)

First Principles Study on the Doping of SnSe_2 Monolayer 

Doping is a important technique to modulate the properties of two-dimensional materials. In this work, by using first principles density functional calculations...
中国化学会第30届学术年会摘要集-第十九分会:化学中的…  2016-07-01 下载次数(33)| 被引次数(0)

Simulation of realistic spectra from first principles 

Spectroscopic techniques are nowadays the most advanced tools playing a prominent role in the experimental investigation of static and dynamic properties of all...
第十三届全国量子化学会议论文集——第一分会:电子结构…  2017-06-08 下载次数(1)| 被引次数()

Principles of Underwater Sound 

《Principles of Underwater Sound》(水声原理)的著者R obert J.U rick是美国水面武器中心总部的前高级研究物理学家。他的“水声原理”共出三版。①1967年出版第一版,书名为“Principles ofU nder
《橡塑资源利用》  2005年 第05期 下载次数(167)| 被引次数(0)