Výsledky vyhledávání

Size Effect of Piezoelectricity in ZnO Nanowires: A First-Principles Study

Autor: Xu Sun, Yue Zhang, Chen Li, Chuan Qion Qin, You Song Gu

Publikováno v: Key Engineering Materials. :275-280

Piezoelectric properties of ZnO nanowires orientated along [0001] are investigated via density functional theory (DFT). A new method to calculate the volume of nanowires was proposed, which is crucial to the value of piezoelectric coefficients. Resul

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4233fc2329e77ab00cfa6ecd13c0140d
https://doi.org/10.4028/www.scientific.net/kem.645-646.275

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Mechanical Properties and Size Effects of ZnO Nanowires Studied by First-Principles Calculation

Autor: Zhan Jun Gao, Yue Zhang, You Song Gu

Publikováno v: Materials Science Forum. :1670-1673

First-principles density functional calculations were performed to investigate mechanical properties of ZnO nanowires and the size effects. Structural optimizations were performed first, and a series of strains were applied to the nanowires in the ax

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c30c59e7be210b715ca22f2b7f6075ce
https://doi.org/10.4028/www.scientific.net/msf.654-656.1670

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First principles calculations of the magnetic properties of Fe-N systems

Autor: Kye Jin Jeon, Dan Li, Wooyoung Lee, Jong Wook Roh, You Song Gu

Publikováno v: physica status solidi (b). 245:2581-2585

We report the results of the first principles calculations performed in order to investigate the electronic and magnetic properties of the Fe–N systems and to clarify the origin of giant magnetic moments in Fe–N systems. After geometrical optimiz

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8fbd1652689d0dfd8860fe3217de1640
https://doi.org/10.1002/pssb.200844090

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A Study on Nanometer-Sized BaTiO3-Based Dielectric for Ni-MLCC with Y5V Specification

Autor: Sen Wang, Xiao Zhigang, Yue Zhang, Cheng Zhou, You Song Gu, Zhen Ji

Publikováno v: Materials Science Forum. :1129-1132

In order to meet the demand on the miniaturization and manufacturing cost reduction of the multilayer ceramic capacitors we have developed a nano-BaTiO3-based non-reducible dielectric material through a soft chemical route. The particle size has been

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ae8cb786f6f890432c095464a03b6f71
https://doi.org/10.4028/www.scientific.net/msf.475-479.1129

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Density Functional Calculations on Electronic and Magnetic Properties of Fe-Pt Systems

Autor: Cheng Zhou, Zhen Ji, You Song Gu, Yue Zhang, Xiao Yan Zhan, Jian He

Publikováno v: Materials Science Forum. :3103-3106

The electronic structures and magnetic properties of Fe-Pt systems were calculated by CASTEP codes, which employed density functional theory, generalized gradient approximation (GGA), Perdew Burke Ernzerh exchange correlation, Pulay density-mixing sc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::10e676397166e92bc09929daf66beef7
https://doi.org/10.4028/www.scientific.net/msf.475-479.3103

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