CALCULATION OF THE INFLUENCE OF ALLOYING ELEMENTS ON THE ELECTROPHYSICAL CHARACTERISTICS OF HAFNIUM DIOXIDE USING QUANTUM-CHEMICAL SIMULATION METHODS

Mathematical modeling in materials science of electronic component Pub Date : 2022-10-22 DOI:10.29003/m3080.mmmsec-2022/97-99

A. Reznik, A. Rezvanov

引用次数: 0

Abstract

The paper considers the effect of 20 alloying elements on the electrical properties of three structural modifications of hafnium dioxide (HfO2), in particular, on the dielectric constant and remanent polarization. Various software algorithms for matrix diagonalization are compared.

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用量子化学模拟方法计算合金元素对二氧化铪电物理特性的影响

本文研究了20种合金元素对二氧化铪(HfO2)三种结构改性的电学性能的影响，特别是对介电常数和剩余极化的影响。比较了矩阵对角化的各种软件算法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Mathematical modeling in materials science of electronic component

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