Resistive random-access memory (RRAM) also referred as memristors are considered a critical component of nano-electronics. In this first principle study we presented a polaron related model. We revealed polaron; a conducting species in mediating resistive switching (RS) mechanism in anatase polymorph of TiO₂ bulk based memristors. We examined polaron formation after substitution of silver (Ag), copper (Cu) and nickel (Ni) in place of titanium (Ti) atom. Influence of charge addition (q- and q--), charge removal (q+ and q++) and neutral (q0) states of doped system on polaron based conducting filaments are also explored. Various values of formation energy indicated the influence of charged state variation on conductivity of the three doped systems. Findings of iso-surface charge density plots indicated polaron formed around the substitutional dopants characterized by localized states in band gap region of density of states (DOS). Presence of localized state in band gap region that confirm the achievement of RS mechanism in these doped systems. Our results predicted Cu as a best substitutional dopant for polaron as a conducting species for RS mechanism. Integrated charge density plots also confirmed these results. Interstitially doped Ag, Cu and Ni doped TiO₂ systems with different charged states showed the conducting filaments formed for RS mechanism with no polaron formation. This study suggests that charged states tuned polaron in substitutional doped TiO₂ will allow to construct conducting pathway for polaronic RS mechanism in nanoelectronics beyond RRAM.

电阻式随机存取存储器 (RRAM) 也称为忆阻器，被认为是纳米电子产品的重要组成部分。在第一项原理研究中，我们提出了一个极化子相关模型。我们揭示了极化子；介导TiO ₂锐钛矿多晶型电阻转换 (RS) 机制的导电物质基于体的忆阻器。我们研究了用银 (Ag)、铜 (Cu) 和镍 (Ni) 代替钛 (Ti) 原子后的极化子形成。还探讨了掺杂系统的电荷添加（q-和q--）、电荷去除（q+和q++）和中性（q0）状态对基于极化子的导电丝的影响。不同的形成能值表明带电状态变化对三种掺杂体系的电导率的影响。等值表面电荷密度图的发现表明在替代物周围形成了极化子以态密度带隙区域 (DOS) 中的局域态为特征的掺杂剂。带隙区域中局域态的存在证实了这些掺杂系统中 RS 机制的实现。我们的结果预测 Cu 作为极化子的最佳替代掺杂剂，作为 RS 机制的导电物质。综合电荷密度图也证实了这些结果。具有不同带电状态的间隙掺杂的Ag、Cu和Ni掺杂的TiO ₂系统显示出为RS机制形成的导电细丝，没有极化子形成。该研究表明，在替代掺杂的 TiO _{2 中}调整极化子的带电状态将允许构建 RRAM 以外纳米电子学中极化 RS 机制的传导途径。