Oxygen vacancy induced structural variations of exfoliated monolayerMnO2sheets

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Oxygen Vacancy Induced Flat Phonon Mode at FeSe /SrTiO3 interface

A high-frequency optical phonon mode of SrTiO3 (STO) was found to assist the high-temperature superconductivity observed recently at the interface between monolayer FeSe and STO substrate. However, the origin of this mode is not clear. Through first-principles calculations, we find that there is a novel polar phonon mode on the surface layers of the STO substrate, which does not exist in the ST...

متن کامل

Effect of oxygen vacancy on the structural and electronic characteristics of crystalline Zn2SnO4

The effects of oxygen vacancies on the atomic and electronic structures in crystalline Zn2SnO4 were examined by ab initio calculations using a screened hybrid density functional. The formation energy and the electronic structure indicated that the neutral oxygen vacancy was stable in the n-type region with the formation of a deep level in the bandgap. The ionization energy of the oxygen vacancy...

متن کامل

Effect of oxygen vacancy on structural, electronic and magnetic properties of La-based oxide interfaces

Disorder, primarily in the form of oxygen vacancies, cation stoichiometry and atomic interdiffusion, appear to play vital roles in the electronic and transport properties of the metallic electron liquid at the oxide hetero-interfaces. Antisite disorder is also understood to be a key player in this context. In order to delineate the roles of two of these key factors, we have investigated the eff...

متن کامل

Direct observation of oxygen vacancy-driven structural and resistive phase transitions in La2/3Sr1/3MnO3

Resistive switching in transition metal oxides involves intricate physical and chemical behaviours with potential for non-volatile memory and memristive devices. Although oxygen vacancy migration is known to play a crucial role in resistive switching of oxides, an in-depth understanding of oxygen vacancy-driven effects requires direct imaging of atomic-scale dynamic processes and their real-tim...

متن کامل

DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions

In this study, a full-potential density functional theory was used to investigate the effects of Ti substitution by different cations. In both rutile and anatase, Ti atom was replaced by Ce, Au, Sn, Ag, Mo, Nb, Zr, and Y. Phase stability, electronic structure and formation energy of oxygen vacancy were compared for rutile and anatase. The results indicated that substitution of Ce and Zr increas...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical Review B

سال: 2010

ISSN: 1098-0121,1550-235X

DOI: 10.1103/physrevb.81.081401