arXiv subjects

Jie Guan

Publications and source records attributed to Jie Guan.

At least 19 recordsLinked to original sources

arXiv2026

Reversable phase transitions in ferroic two-dimensional Nb2O2I4 through optically excited coherent phonons

We investigate optically induced phase transitions in the two-dimensional (2D) ferroelectric (FE) material Nb2O2I4 using real-time time-dependent density functional theory (rt-TDDFT). Our results demonstrate that tailored laser pulses can activate specific coherent phonon modes. Specifically, the anharmonic atomic distortions of the A1-1 and A1-2 modes at the Γ-point facilitate the reversal of in-plane polarization. By fine-tuning laser parameters, additional phonon modes at both the Y and Γ points are excited. The resulting nonequilibrium atomic dynamics enable the formation of previously unreported ferroic phases, including three antiferroelectric (AFE) phases and one ferrielectric (FiE) phase. Notably, these optically induced phases can be reverted to the initial FE state using appropriate techniques. This controllable reversibility among multiple ferroic phases positions 2D Nb2O2I4 as a highly promising candidate for next-generation electronic storage applications.

cond-mat.mtrl-sci↗

arXiv2024

Exotic properties and manipulation in 2D semimetal Mn2B2(OH)2: a theoretical study

Most functional materials possess one single outstanding property and are limited to be used for a particular purpose. Instead of integrating materials with different functions into one module, designing materials with controllable multi-functions is more promising for the electronic industry. In this study, we investigate an unexplored alpha-phase of two-dimensional (2D) Mn2B2(OH)2 theoretically. Eighteen distinct electrical polarizations, characterized by three different magnitudes and twelve different directions, are found in this phase. The switch of the electrical polarizations is also linked to an observed splitting of band structures between different spin states and the ferroelasticity of the system. The manipulation of these properties can be realized through controlling the alignment of Mn-OH-Mn chains. Additionally, the approximately honeycomb lattice for the atomic layer of boron indicate the potential superconductivity in the system. The diverse and tunable properties make the proposed material as an outstanding candidate for sensing applications at the 2D limit.

cond-mat.mtrl-sci↗

arXiv2024

Design Frameworks for Hyper-Connected Social XRI Immersive Metaverse Environments

The metaverse refers to the merger of technologies for providing a digital twin of the real world and the underlying connectivity and interactions for the many kinds of agents within. As this set of technology paradigms - involving artificial intelligence, mixed reality, the internet-of-things and others - gains in scale, maturity, and utility there are rapidly emerging design challenges and new research opportunities. In particular is the metaverse disconnect problem, the gap in task switching that inevitably occurs when a user engages with multiple virtual and physical environments simultaneously. Addressing this gap remains an open issue that affects the user experience and must be overcome to increase overall utility of the metaverse. This article presents design frameworks that consider how to address the metaverse as a hyper-connected meta-environment that connects and expands multiple user environments, modalities, contexts, and the many objects and relationships within them. This article contributes to i) a framing of the metaverse as a social XR-IoT (XRI) concept, ii) design Considerations for XRI metaverse experiences, iii) a design architecture for social multi-user XRI metaverse environments, and iv) descriptive exploration of social interaction scenarios within XRI multi-user metaverses. These contribute a new design framework for metaverse researchers and creators to consider the coming wave of interconnected and immersive smart environments.

cs.HC↗

arXiv2024

Design Frameworks for Spatial Zone Agents in XRI Metaverse Smart Environments

The spatial XR-IoT (XRI) Zone Agents concept combines Extended Reality (XR), the Internet of Things (IoT), and spatial computing concepts to create hyper-connected spaces for metaverse applications; envisioning space as zones that are social, smart, scalable, expressive, and agent-based. These zone agents serve as applications and agents (partners, assistants, or guides) for users co-living and co-operating together in a shared spatial context. The zone agent concept is toward reducing the gap between the physical environment (space) and the classical two-dimensional user interface, through space-based interactions for future metaverse applications. This integration aims to enrich user engagement with their environments through intuitive and immersive experiences and pave the way for innovative human-machine interaction in smart spaces. Contributions include: i) a theoretical framework for creating XRI zone/space-agents using Mixed-Reality Agents (MiRAs) and XRI theory, ii) agent and scene design for spatial zone agents, and iii) prototype and user interaction design scenario concepts for human-to-space agent relationships in an early immersive smart-space application.

cs.HC↗

arXiv2023

Extended-XRI Body Interfaces for Hyper-Connected Metaverse Environments

Hybrid mixed-reality (XR) internet-of-things (IoT) research, here called XRI, aims at a strong integration between physical and virtual objects, environments, and agents wherein IoT-enabled edge devices are deployed for sensing, context understanding, networked communication and control of device actuators. Likewise, as augmented reality systems provide an immersive overlay on the environments, and virtual reality provides fully immersive environments, the merger of these domains leads to immersive smart spaces that are hyper-connected, adaptive and dynamic components that anchor the metaverse to real-world constructs. Enabling the human-in-the-loop to remain engaged and connected across these virtual-physical hybrid environments requires advances in user interaction that are multi-dimensional. This work investigates the potential to transition the user interface to the human body as an extended-reality avatar with hybrid extended-body interfaces that can interact both with the physical and virtual sides of the metaverse. It contributes: i) an overview of metaverses, XRI, and avatarization concepts, ii) a taxonomy landscape for extended XRI body interfaces, iii) an architecture and potential interactions for XRI body designs, iv) a prototype XRI body implementation based on the architecture, v) a design-science evaluation, toward enabling future design research directions.

cs.HC↗

arXiv2023

An XRI Mixed-Reality Internet-of-Things Architectural Framework Toward Immersive and Adaptive Smart Environments

The internet-of-things (IoT) refers to the growing number of embedded interconnected devices within everyday ubiquitous objects and environments, especially their networks, edge controllers, data gathering and management, sharing, and contextual analysis capabilities. However, the IoT suffers from inherent limitations in terms of human-computer interaction. In this landscape, there is a need for interfaces that have the potential to translate the IoT more solidly into the foreground of everyday smart environments, where its users are multimodal, multifaceted, and where new forms of presentation, adaptation, and immersion are essential. This work highlights the synergetic opportunities for both IoT and XR to converge toward hybrid XR objects with strong real-world connectivity, and IoT objects with rich XR interfaces. The paper contributes i) an understanding of this multi-disciplinary domain XR-IoT (XRI); ii) a theoretical perspective on how to design XRI agents based on the literature; iii) a system design architectural framework for XRI smart environment development; and iv) an early discussion of this process. It is hoped that this research enables future researchers in both communities to better understand and deploy hybrid smart XRI environments.

cs.HC↗

arXiv2023

Cross-Reality for Extending the Metaverse: Designing Hyper-Connected Immersive Environments with XRI

The Metaverse comprises technologies to enable virtual twins of the real world, via mixed reality, internet of things, and others. As it matures unique challenges arise such as a lack of strong connections between virtual and physical worlds. This work presents design frameworks for cross-reality hybrid spaces. Contributions include: i) clarifying the metaverse "disconnect", ii) extended metaverse design frameworks, iii) prototypes, and iv) discussions toward new metaverse smart environments.

cs.HC↗

arXiv2023

Extending the Metaverse: Hyper-Connected Smart Environments with Mixed Reality and the Internet of Things

The metaverse, i.e., the collection of technologies that provide a virtual twin of the real world via mixed reality, internet of things, and others, is gaining prominence. However, the metaverse faces challenges as it grows toward mainstream adoption. Among these is the lack of strong connections between metaverse objects and traditional physical objects and environments, which leads to inconsistencies for users within metaverse environments. To address this issue, this work explores the design and development of a framework for bridging the physical environment and the metaverse through the use of internet-of-things objects and mixed reality designs. The contributions of this include: i) an architectural framework for extending the metaverse, ii) design prototypes using the framework. Together, this exploration charts the course toward a more cohesive and hyper-connected metaverse smart environment.

cs.HC↗

arXiv2023

Toward Mixed Reality Hybrid Objects with IoT Avatar Agents

The internet-of-things (IoT) refers to the growing field of interconnected pervasive computing devices and the networking that supports smart, embedded applications. The IoT has multiple human-computer interaction challenges due to its many formats and interlinked components, and central to these is the need to provide sensory information and situational context pertaining to users in a more human-friendly, easily understandable format. This work addresses this by applying mixed reality toward expressing the underlying behaviors and states internal to IoT devices and IoT-enabled objects. It extends the authors' previous research on IoT Avatars (mixed reality character representations of physical IoT devices), presenting a new head-mounted display framework and interconnection architecture. This contributes i) an exploration of mixed reality for smart spaces, ii) an approach toward expressive avatar behaviors using fuzzy inference, and iii) an early functional prototype of a hybrid physical and mixed reality IoT-enabled object. This approach is a step toward new information presentation, interaction, and engagement capabilities for smart devices and environments.

cs.HC↗

arXiv2023

Extended Reality and Internet of Things for Hyper-Connected Metaverse Environments

The Metaverse encompasses technologies related to the internet, virtual and augmented reality, and other domains toward smart interfaces that are hyper-connected, immersive, and engaging. However, Metaverse applications face inherent disconnects between virtual and physical components and interfaces. This work explores how an Extended Metaverse framework can be used to increase the seamless integration of interoperable agents between virtual and physical environments. It contributes an early theory and practice toward the synthesis of virtual and physical smart environments anticipating future designs and their potential for connected experiences.

cs.HC↗

arXiv2022

Internet Of Rights(IOR) In Role Based Block Chain

A large amount of data has been accumulated. with the development of the Internet industry. Many problems have been exposed with data explosion: 1. The contradiction between data privacy and data collaborations; 2. The contradiction between data ownership and the right of data usage; 3. The legality of data collection and data usage; 4. The relationship between the governance of data and the governance of rules; 5. Traceability of evidence chain. In order to face such a complicated situation, many algorithms were proposed and developed. This article tries to build a model from the perspective of blockchain to make some breakthroughs.Internet Of Rights(IOR) model uses multi-chain technology to logically break down the consensus mechanism into layers, including storage consensus, permission consensus, role consensus, transaction consensus etc. thus to build a new infrastructure, which enables data sources with complex organizational structures and interactions to collaborate smoothly on the premise of protecting data privacy. With blockchain's nature of decentralization, openness, autonomy, immutability, and controllable anonymity, Internet Of Rights(IOR) model registers the ownership of data, enables applications to build ecosystem based on responsibilities and rights. It also provides cross-domain processing with privacy protection, as well as the separation of data governance and rule governance. With the processing capabilities of artificial intelligence and big data technology, as well as the ubiquitous data collection capabilities of the Internet of Things, Internet Of Rights(IOR) model may provide a new infrastructure concept for realizing swarm intelligence and building a new paradigm of the Internet, i.e. intelligent governance.

cs.NI↗

arXiv2022

Unusual electric polarization behavior in elemental quasi-2D allotropes of selenium

We investigate tunable electric polarization and electronic structure of quasi-two-dimensional (quasi-2D) allotropes of selenium, which are formed from their constituent one-dimensional (1D) structures through an inter-chain interaction facilitated by the multi-valence nature of Se. Our em ab initio calculations reveal that different quasi-2D Se allotropes display different types of electric polarization, including ferroelectric (FE) polarization normal to the chain direction in alpha and delta allotropes, non-collinear ferrielectric (FiE) polarization along the chain axis in tau-Se, and anti-ferroelectric (AFE) polarization in eta-Se. The magnitude and direction of the polarization can be changed by a previously unexplored rotation of the constituent chains. In that case, an in-plane polarization direction may change to out-of-plane in alpha-Se and delta-Se, flip its direction, and even disappear in tau-Se. Also, the band gap may be reduced and changed from indirect to direct by rotating the constituent chains about their axes in these quasi-2D Se allotropes.

cond-mat.mtrl-sci↗

arXiv2021

Noncollinear ferrielectricity and morphotropic phase boundary in GeS monolayer

Two-dimensional polarity is intriguing but remains in the early stage. Here a structural evolution diagram is established for GeS monolayer, which leads a noncollinear ferrielectric $δ$-phase energetically as stable as the ferroelectric $α$-phase. Its ferrielectricity is induced by the phonon frustration, i.e., the competition between ferroelectric and antiferroelectric modes, providing more routes to tune its polarity. Besides its prominent properties like large band gap, large polarization, and high Curie temperature, more interestingly, the morphotropic phase boundary between $α$- and $δ$-phases is highly possible, which is crucial to obtain giant piezoelectricity for lead-free applications.

cond-mat.mtrl-sci↗

arXiv2020

Low-symmetry two-dimensional BNP$_2$ and C$_2$SiS structures with high and anisotropic carrier mobilities

We study the stability and electronic structure of previously unexplored two-dimensional (2D) ternary compounds BNP$_2$ and C$_2$SiS. Using $ab$ $initio$ density functional theory, we have identified four stable allotropes of each ternary compound and confirmed their stability by calculated phonon spectra and molecular dynamics simulations. Whereas all BNP$_2$ allotropes are semiconducting, we find C$_2$SiS, depending on the allotrope, to be semiconducting or semimetallic. The fundamental band gaps of the semiconducting allotropes we study range from $1.4$ eV to $2.2$ eV at the HSE06 level $0.5$ eV to $1.4$ eV at the PBE level and display carrier mobilities as high as $1.5{\times}10^5$ cm$^2$V$^{-1}$s$^{-1}$. Such high mobilities are quite uncommon in semiconductors with so wide band gaps. Structural ridges in the geometry of all allotropes cause a high anisotropy in their mechanical and transport properties, promising a wide range of applications in electronics and optoelectronics.

cond-mat.mtrl-sci↗

arXiv2020

Changing the Phosphorus Allotrope from a Square Columnar Structure to a Planar Zigzag Nanoribbon by Increasing the Diameter of Carbon Nanotube Nanoreactors

Elemental phosphorus nanostructures are notorious for a large number of allotropes, which limits their usefulness as semiconductors. To limit this structural diversity, we synthesize selectively quasi-1D phosphorus nanostructures inside carbon nanotubes (CNTs) that act both as stable templates and nanoreactors. Whereas zigzag phosphorus nanoribbons form preferably in CNTs with an inner diameter exceeding 1.4 nm, a previously unknown square columnar structure of phosphorus is observed to form inside narrower nanotubes. Our findings are supported by electron microscopy and Raman spectroscopy observations as well as ab initio density functional theory calculations. Our computational results suggest that square columnar structures form preferably in CNTs with inner diameter around 1.0 nm, whereas black phosphorus nanoribbons form preferably inside CNTs with 4.1 nm inner diameter, with zigzag nanoribbons energetically favored over armchair nanoribbons. Our theoretical predictions agree with the experimental findings.

cond-mat.mtrl-sci↗

arXiv2019

Oxidized silicon sulfide: stability and electronic properties of a novel two-dimensional material

Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS structures are found larger than those for phosphorene, due to the lower electronegativity of Si atoms. The most stable configurations of isolated oxygen impurities for different 2D SiS structures are decided and the corresponding 2D structures with saturated oxidation (SiSO) are predicted. Among all the four fully oxidized structures, $α$-SiSO is demonstrated to be stable by phonon spectra calculations and molecular dynamics (MD) simulations. Electronic structure calculations indicate that $α$-SiSO monolayer is semiconducting with a direct band gap of ${\approx}2.28$~eV, which can be effectively tuned by in-layer strain. The value of band gap and thermodynamic stability are found depending sensitively on the saturation level of oxygen.

cond-mat.mtrl-sci↗

arXiv2017

Can CF(3)-functionalized La@C(60) be isolated experimentally and become superconducting?

Superconducting behavior even under harsh ambient conditions is expected to occur in La@C(60) if it could be isolated from the primary metallofullerene soot when functionalized by CF(3) radicals. We use ab initio density functional theory calculations to compare the stability and electronic structure of C(60) and the La@C(60) endohedral metallofullerene to their counterparts functionalized by CF(3). We found that CF(3) radicals favor binding to C(60) and La@C(60), and have identified the most stable isomers. Structures with an even number m of radicals are energetically preferred for C(60) and structures with odd m for La@C(60) due to the extra charge on the fullerene. This is consistent with a wide HOMO-LUMO gap in La@C(60)(CF(3))(m) with odd m, causing extra stabilization in the closed-shell electronic configuration. CF(3) radicals are both stabilizing agents and molecular separators in a metallic crystal, which could increase the critical temperature for superconductivity.

cond-mat.mtrl-sci↗

arXiv2016

Unusually stable helical coil allotrope of phosphorus

We have identified an unusually stable helical coil allotrope of phosphorus. Our ab initio Density Functional Theory calculations indicate that the uncoiled, isolated straight 1D chain is equally stable as a monolayer of black phosphorus dubbed phosphorene. The coiling tendency and the attraction between adjacent coil segments add an extra stabilization energy of about 12 meV/atom to the coil allotrope, similar in value to the approximately 16 meV/atom inter-layer attraction in bulk black phosphorus. Thus, the helical coil structure is essentially as stable as black phosphorus, the most stable phosphorus allotrope known to date. With an optimum radius of 2.4 nm, the helical coil of phosphorus may fit well and even form inside wide carbon nanotubes.

cond-mat.mes-hall↗