First-principles study of bandgap bowing in BGaN alloys

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

First-principles study of „BiScO3...1Àx-„PbTiO3...x piezoelectric alloys

We report a first-principles study of a class of (BiScO3)12x-(PbTiO3)x ~BS-PT! alloys recently proposed by Eitel et al. as promising materials for piezoelectric actuator applications. We show that ~i! BS-PT displays very large structural distortions and polarizations at the morphotropic phase boundary ~MPB! ~we obtain a c/a of ;1.05–1.08 and P tet'0.9 C/m ); ~ii! the ferroelectric and piezoelec...

متن کامل

Diluted Magnetic Ga1−xMnxN Alloys: A First-Principles Study

The utilization of the quantum properties of the electron spin wave function will allow the development of a new class of devices. The problem is still controversial and unsettled, even qualitatively, especially for concentrated spin systems such as 3d metals and their alloys. The variety of crystal structures of 3d metals makes difficult the direct comparison between the experimental results a...

متن کامل

First-principles simulation of supercooled liquid alloys.

Accurate simulation of multicomponent alloys demands a first-principles approach because empirical potentials become increasingly inaccurate and difficult to develop with each additional constituent element. In contrast, the computational difficulty of simulating an alloy from first principles remains essentially independent of the number of elements. However, equilibration times increase with ...

متن کامل

First Principles Design of Ductile Refractory Alloys

The purpose of this work is to predict elastic and thermodynamic properties of Cr-based alloys based on first-principles calculations and to demonstrate an appropriate computational approach to develop new materials for high-temperature applications in energy systems. In this study, we choose Poisson’s ratio as screening parameter for identifying ductilizing additives to the refractory alloys. ...

متن کامل

Ordered magnesium-lithium alloys: First-principles predictions

Magnesium-lithium Mg-Li alloys are among the lightest structural materials. Although considerable work has been done on the Mg-Li system, little is known regarding potential ordered phases. A first and rapid analysis of the system with the high-throughput method reveals an unexpected wealth of potentially stable low-temperature phases. Subsequent cluster expansions constructed for bcc and hcp s...

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: Journal of Applied Physics

سال: 2019

ISSN: 0021-8979,1089-7550

DOI: 10.1063/1.5111414