• UFPI

  • COORDENAÇÃO DO PROGRAMA DE PÓS-GRADUAÇÃO EM FÍSICA/CCN

MINISTÉRIO DA EDUCAÇÃO

  • EM FÍSICA






  • Dissertações/Teses - 2026

    JOÃO GUILHERME RODRIGUES VALANGELIS Estudo Analítico sobre o Espalhamento de Ondas Escalares em um Buraco Negro de Schwarzschild com Violação da Simetria de Lorentz Data: 31/07/2026

    In this work, we study the propagation of a massless scalar field in a
    Schwarzschild spacetime modified by a background Kalb-Ramond field, which induces
    spontaneous Lorentz symmetry breaking via a non-minimal coupling to gravity. The
    Klein-Gordon equation is solved analytically by mapping its radial equation onto the
    confluent Heun equation. Near the event horizon, we analyze the thermal spectrum and
    the Hawking temperature perceived by stationary observers, examining how geometric
    modifications influence the emission flux. In the asymptotic region, the radial equation
    reduces to a Coulomb-like form in the low-frequency limit, allowing us to obtain
    analytical expressions for the phase shifts and scattering cross sections. Furthermore, we
    discuss the conditions for the polynomial truncation of confluent Heun solutions and
    their relation to the numerical quasinormal mode spectrum computed via Leaver’smethod and the WKB approximation. Finally, the analysis of the effective potentialallows us to verify the modal stability of the scalar field. The results indicate thatspontaneous Lorentz symmetry breaking alters the geometrical, thermodynamical, andwave properties of the black hole while preserving overall linear spacetime stability.


    MATHEUS DA CUNHA PINTO Renormalização e cálculo de expoentes críticos para teorias de campos escalares do tipo λϕ3 em espaços-tempos com quebra da simetria de Lorentz Data: 27/07/2026

    We investigate the renormalization and calculation of critical exponents in the scalar field theory of the λϕ3 type, formulated inspacetimes with explicit Lorentz-symmetry violation (LV). The starting point is the canonical theory in d = 6 − ε dimensions, the uppercritical dimension at which the cubic interaction is marginally relevant. Building on the foundational concepts of quantum field theory,we systematically construct the renormalization constants Zϕ, Zm2 , and Zλ up to two loops, employing dimensional regularization inthe minimal subtraction (MS) scheme. For the general case of an N-component field with the Potts-model interaction tensor dijk,we derive the relevant tensor contractions bα = (N + 1)2(N − 1), bβ = (N + 1)2(N − 2), and bγ = (N + 1)6 − 6(N + 1)5 + 10(N + 1)4,and obtain the beta function together with the anomalous dimensions. The non-trivial fixed point u∗(ε) yields the universal critical
    exponents η(ε) and ν(ε). The special cases N = 1 (Yang–Lee edge singularity) and N → 0 (percolation) are examined individually,and numerical estimates in physical dimensions are obtained via Padé approximants [1, 1], with a discussion of the limitations imposedby the asymptotic nature of the ε-expansion. The extension to the LV scenario is performed by introducing a small, symmetric,
    constant background tensor Kμν, with |Kμν| ≪ 1. The modified propagator admits a perturbative expansion in Kμν; we show that eachindependent loop-momentum integration introduces a multiplicative factor Π ≡ 1 − 12Kμνδμν, so that an L-loop diagram carries ΠL.
    Consequently, the LV renormalization constants satisfy ZLV = ZLI(u → uΠ1/2), and the non-trivial fixed point shifts to u∗2LV = u∗2LI/Π.The central result of the dissertation is that, upon evaluating the anomalous dimensions at the shifted fixed point, all factors of Π cancelexactly, yielding critical exponents identical to those of the Lorentz-invariant theory: ηLV = ηLI and νLV = νLI, to two-loop order and for
    |Kμν| ≪ 1. This outcome is interpreted as a direct consequence of the universality principle: the kinetic-sector Lorentz violation doesnot modify the internal symmetry that defines the universality class and is therefore irrelevant at the critical fixed point.


    SIDNEY MARQUES GUEDES DOS SANTOS SIMULAÇÕES COMPUTACIONAIS DE SISTEMAS HÍBRIDOS CₙH₂@SWCNT E ALÓTROPOS BIDIMENSIONAIS DE CARBONO: CADEIAS LINEARES DE CARBONO CONFINADAS EM NANOTUBOS DE PAREDE SIMPLES SOB CAMPO ELÉTRICO EXTERNO E TRIPENTAFENO DOPADO COM BORO E NITROGÊNIO Data: 22/06/2026

    In this work, a theoretical study based on Density Functional Theory
    (DFT) was carried out on linear hydrogen-saturated carbon chains (CₙH₂, with
    n = 4, 6, and 8) confined inside single-walled carbon nanotubes of the zigzag
    (8,0) and armchair (5,5) types under the influence of a transverse external
    electric field. The structural and electronic properties of these systems were
    investigated, with emphasis on bond length alternation (BLA), transverse
    deformation, charge transfer, and the electronic response to the applied field.
    The results showed that systems based on the (8,0) nanotube exhibit a more
    pronounced structural and electronic response compared to the (5,5) systems,
    including greater charge redistribution, stronger BLA reduction, and higher
    sensitivity of the electronic band gap. Despite these modifications, all systems
    preserved the polyyne character of the chains and maintained a finite band gap
    throughout the investigated field range. The analysis of the band structure and
    projected density of states revealed that the electronic response is
    predominantly governed by the host nanotube, while the carbyne chain acts as
    a secondary electronic perturbation. An essentially reversible structural
    behavior was also observed after removal of the electric field.
    Additionally, the effects of substitutional boron and nitrogen doping on two-
    dimensional carbon allotropes of the tripentaphene (TPH) type were
    investigated. The results indicated that doping significantly modifies the
    electronic properties of these systems, promoting transitions between metallic
    and semiconducting behaviors, as well as modulation of the band gap. The
    obtained results highlight the potential of these hybrid materials, as well as two-
    dimensional allotropes, for applications in nanoelectronics and the engineering
    of materials with tunable electronic properties.


    MATEUS SILVA RÊGO Propriedades físicas de nanoestruturas grafínicas 1D e 2D baseadas na rede bifenilênica: um estudo via Teoria do Funcional da Densidade Data: 09/03/2026

    The search for new two-dimensional carbon allotropes has
    intensified due to the potential of these materials in nanoelectronics,
    especially as alternatives to graphene, whose absence of a band gap limits its
    applications in semiconductors. Graphyne-like structures, characterized by
    the coexistence of and sp sp2 hybridizations, allow the modulation of
    electronic properties through structural variations. With the synthesis of the
    biphenylene monolayer (BPN), it becomes possible to theoretically investigate
    new structures derived from its crystalline network with incorporated
    acetylenic linkages. The objective of this thesis is to theoretically investigate,
    through the formalism of Density Functional Theory (DFT), the structural,
    electronic, and mechanical properties of a new two-dimensional carbon
    allotrope derived from BPN, which we denote as ɑ-BPNGY or BPN graphyne,
    as well as its quasi-one-dimensional systems, such as nanoribbons and
    nanotubes. In this context, we propose to evaluate the structural and
    mechanical stability, anisotropy, band structure, density of states (DOS), and
    the spatial distribution of the wave functions, as well as the influence of
    width, diameter, and chirality in the quasi-1D systems. The results indicate
    that the proposed two-dimensional structure is metallic in the non-spin-
    polarized (NP) state, but becomes semiconducting in the antiferromagnetic
    (AFM) state when the bipartition of the lattice into spin sublattices is
    considered, with the opening of a gap on the order of 0.15 eV. The mechanical
    stability of ɑ-BPNGY was confirmed by the absence of negative frequencies in
    the phonon dispersion, and its thermal stability was evidenced by ab initio
    Born–Oppenheimer molecular dynamics (BO-MD) simulations. It was
    observed that increasing the number of acetylenic units ( = 1, 2, and 3; n
    where indicates the number of acetylenic links) directly influences the n
    mechanical properties, imparting anisotropy to the investigated systems (ɑ-
    BPNGY, ɑ-BPNGY-2, and ɑ-BPNGY-3). In the quasi-1D systems, the electronic
    behavior of nanotubes depends on chirality and diameter, whereas that of
    nanoribbons depends on width. The evaluated nanoribbons are
    semiconducting, with gaps ranging from 0.07 to 0.46 eV. Most of these one-
    dimensional systems exhibit a spin-polarized semiconducting state similar to
    that observed in the two-dimensional system. These findings highlight the
    possibility of fine-tuning the electronic properties, emphasizing the potential
    of these materials for nanoelectronic applications.


    MAYKOL CHRISTIAN DAMASCENO DE OLIVEIRA Propriedades termo-ópticas de pontos de carbono luminescentes produzidos a partir de biomassa de Orbignya speciosa (coco babaçu) e sua aplicação na detecção de íons metálicos através de mecanismos de supressão de fluorescência. Data: 02/03/2026

    O monitoramento de íons metálicos em altas concentrações industriais
    é frequentemente limitado pela saturação de sinal e pela não linearidade
    inerentes aos sensores ópticos convencionais. Este trabalho propõe uma
    plataforma de sensoriamento baseada em Pontos de Carbono (PCs) sintetizados
    a partir do mesocarpo de Orbignya speciosa, integrando as espectroscopias de
    Fluorescência (FL) e Espectrometria de Lente Térmica (TLS) a algoritmos de
    Aprendizado de Máquina. A abordagem multitécnica revelou assinaturas físico-
    químicas distintas para cada analito: o cobre (Cu2+) induziu supressão estática
    dominada por agregação e espalhamento de luz; o cobalto (Co2+) ativou
    mecanismos dinâmicos de esfera de ação em regime de lente térmica forte; e o
    níquel (Ni2+) apresentou comportamento regido por acessibilidade fracionada. O
    modelo Random Forest (RF) alcançou precisão máxima (100%) na classificação
    e superou modelos lineares e SVR na etapa de quantificação, demonstrando
    robustez ao interpretar distorções cinéticas e espectrais complexas. Em síntese,
    a convergência entre nanomateriais sustentáveis e inteligência artificial viabiliza
    diagnósticos precisos em regimes de alta concentração, superando gargalos
    analíticos tradicionais do sensoriamento óptico.


    PEDRO HENRIQUE MACEDO BARROS Relativistic Quantum Information in Non-Inertial Systems Data: 26/02/2026

    Os efeitos relativísticos associados ao movimento não inercial
    desafiam a preservação da informação quântica, induzindo a criação de
    partículas dependentes do observador e ambientes térmicos cujo impacto nas
    medições quânticas ainda não é totalmente compreendido. Motivados por isso,
    o principal objetivo desta tese é analisar como a aceleração, as propriedades
    do campo, a estrutura de interação e a cinemática do detector afetam a
    coerência quântica, a dinâmica de transição e a dualidade onda-partícula no
    contexto da informação quântica proveniente de detectores acelerados. A
    metodologia baseia-se na evolução perturbativa do sistema detector-campo,
    empregando o operador de evolução temporal para obter a matriz de
    densidade reduzida após interações de tempo finito. Medidas de coerência
    quântica, probabilidades de transição, visibilidade interferométrica
    e relações de complementaridade são utilizadas para caracterizar a
    degradação da informação em regimes acelerados. Os sistemas estudados
    incluem qubits acelerados e circuitos interferométricos sujeitos a vácuo
    dispersivo, ruído de fundo de ondas gravitacionais, campos escalares
    massivos, acoplamentos não lineares e trajetórias não triviais. Os resultados
    mostram que o efeito Unruh atua como um ambiente térmico eficaz que induz a
    perda de informação quântica. Mecanismos que amplificam essa degradação,
    como vácuo dispersivo, ondas gravitacionais e acoplamentos quadráticos, são
    identificados, enquanto mecanismos de mitigação associados a campos
    massivos e configurações cinemáticas específicas também são observados. A
    tese conclui que a degradação da informação em sistemas quânticos
    relativísticos não é universal, mas fortemente dependente do modelo, e
    destaca perspectivas para extensões a espaços-tempos curvos, sistemas de
    detectores multipartidos e teorias quânticas de campos alternativas.


    FANDSON DA SILVA MORAIS Investigação da transição estrutural do NaCe(MoO₄)₂ sob alta pressão via DFT Data: 24/02/2026

    Este trabalho investiga as propriedades estruturais, mecânicas e eletrônicas do
    molibidato duplo N aCe(MoO 4 ) 2 sob condições de alta pressão, utilizando simulações ab
    initio baseadas na Teoria do Funcional da Densidade (DFT). A metodologia empregada
    adota uma estratégia híbrida: inicialmente, utiliza-se a Aproximação do Cristal Virtual
    (VCA) para modelar a resposta da rede sob pressão hidrostática. Para superar as
    limitações do VCA na descrição de distorções locais, aplicou-se o método de
    supercélula (2 × 1 × 1), no qual os sítios virtuais foram substituídos explicitamente por
    íons de Na e Ce em proporção estequiométrica. Essa abordagem permitiu o relaxamento
    das coordenadas internas com parâmetros de rede fixos, capturando com certa precisão
    as relaxações iônicas e a desordem catiônica. Para descrever corretamente os estados
    fortemente correlacionados 4f do cério, utilizou-se o formalismo DFT+U com um
    potencial efetivo de 5,0 eV. Os resultados demonstram uma transição de fase estrutural
    da fase scheelita (I41/a) para a fase monoclínica M’-fergusonita (P21/c) entre 10 e 12
    GPa. Essa transição é caracterizada pela mudança na coordenação do molibdênio de
    tetraédrica (MoO 4 ) para octaédrica (MoO 6 ). Eletronicamente, a supercélula revelou um
    band gap indireto de 2,845 eV, validando a eficácia da aliança entre VCA e o método de
    supercélula para o estudo de molibdatos complexos.


    DAYVISON WEBER MAIA PROPRIEDADES FÍSICAS DE NANOFITAS DE CARBONO FORMADAS POR ÁTOMOS COM HIBRIDIZAÇÕES sp 2 e sp 3 . Data: 23/02/2026

    The physical and chemical properties of nanocarbons have attracted the
    scientific community’s attention in the last decades. Computational and
    theoretical investigations have been indispensable and relevant in the
    development of research on these systems. In this context, this thesis presents
    a study of the structural, electronic, and magnetic properties of one-dimensional
    physical systems conceived via 2D carbon allotropes, recently proposed in the
    literature. The me-graphene and ph-graphene are physical systems that present
    atoms with hybridized sp 2 and sp 3 states. These structural properties originate a
    thickness of angstrom order, differently from atomic thickness associated with
    the graphene, characterizing these systems like quasi-2D materials. Through
    different chiralities and structural details of edges, nanoribbons were proposed
    for each one of these systems. The calculations were developed via density
    functional theory (DFT), using the SIESTA computational package. With relation
    to the me-graphene nanoribbons (MeGNRs), the results demonstrate that the
    confinement and edge effects perform an important role in the investigated
    properties. In particular, differently from 2D systems, which are semiconductors
    of indirect energy gap, the nanoribbons can display semiconductor behavior of
    direct or indirect energy gap, in addition to one of the cases presenting metallic
    behavior, exhibiting a low dispersive band around the Fermi level. This last case
    shows spin-dependent properties, revealing a phase transition of metal –
    semiconductor type between not polarized and polarized states. The ph-
    graphene nanoribbons (PHGNRs) can exhibit semiconductor and metallic
    electronic behaviors. Once again, confinement and edge effects are crucial to
    characterize these systems, which exhibit multiple magnetic states defined by
    the spin orientation, which mostly is distributed in the internal atoms of the
    structure. In this sense, the energetic stabilization mechanism that occurs from
    spin polarization is provenient of internal states of the ribbon, differently from
    other systems in the literature, whose central agents are edge atoms.
    Therefore, in the PHGNRs case, it was demonstrated that edge effects are
    secondary in the electronic and magnetic definitions of the resultant systems,
    which made these materials promising for nanoelectronic applications, given
    that the synthesis precision in the edge region is not that relevant to the result
    properties. Finally, in both cases, it is possible to modulate the system’s
    properties by the confinement and edge effects and magnetic ordering of states,
    allowing a variety of electronic behaviors and some other characteristics, like
    the band profiles and modulation of energy gap, among others.


    MARLEANE MARIA FELIX DE AZEVEDO Dispositivos ópticos eletrônicos com resposta a luz polarizada. Data: 29/01/2026

    Neste trabalho filmes finos de poli(2-methoxi-5-(2-etilhexiloxi)-p fenilenovinileno)
    (MEH-PPV) foram crescidos pelo método de Langmuir-Blodgett (LB) e Drop Casting para
    investigar os efeitos do processamento dos filmes e seu impacto nas propriedades óticas e
    elétricas. As propriedades óticas com e sem polarização dos filmes fabricados porespectrofotometria de UV-Vis para explorar o “band-optical gap” e estudar o comportamento dos estados localizados no gap a partir da energia de Urbach e emissão de fluorescência, paraanálise do acoplamento eletron-fonon por meio dos cálculos do parâmetro de Huang-Rhys (S),permitindo assim caracterizar a interação do polímero com o substrato por diferentes métodosde deposição. Primeiramente foi estudada a influência do tratamento por plasma de oxigênionos substratos e sua influência para a deposição das camadas dos filmes poliméricos ondeavaliamos o ângulo de contato, os resultados mostraram que o tempo de exposição aoambiente e a sucessiva aplicação de plasma influenciam diretamente na molhabilidade dossubstratos. Como os filmes e a camada ativa nos dispositivos são processados a partir desoluções, começamos avaliando os efeitos solvatocrômicos na absorção e emissão. A seletividade de cada solvente forma microestruturas e morfologias em solução que podem ser parcialmente mantidas nos filmes produzidos, a partir das alterações nos máximos de absorçãoe emissão e utilizando do deslocamento Stokes, parâmetro de Huang-Rhys (S), comprimento efetivo de conjugação n e experimentos de isoterma de filmes de Langmuir. Com isso foi possível observar a progressão da agregação para cada solvente. Para os filmes LB foi possível distinguir efeitos de interface e de volume, para até 10 camadas há forte influência da interface com Eu duas vezes maior que os valores encontrados para maiores números de camadas depositadas e do que os valores encontrados para os filmes Drop-Casting. Embora Eoptg permaneça essencialmente o mesmo valor, independentemente da direção, o dicroísmo de absorção indica que um número maior de cadeias principais conjugadas estão alinhadas na direção de imersão. Ao mesmo tempo, Eu não apresenta dependência direcional, revelando que a distribuição de defeitos óticos isotrópica. A análise dos parâmetros vibrônicos (fator de Huang-Rhys S, comprimento médio de conjugação n e separação vibrônica E00 − E01) mostraque essas grandezas atuam como marcadores sensíveis da organização estrutural. A caracterização elétrica mostrou que os dois métodos de deposição produzem filmes com perfis de armadilhas marcadamente diferentes. Embora ambos os dispositivos apresentem expoentes de baixo campo semelhantes próximos ao regime ôhmico, o dispositivo LB apresenta transições mais suaves entre as regiões ôhmica, SCLC e TFL. E por final filmes de LB sãoaplicados em dispositivos de Memória, apenas como um estudo introdutório, é observado que os dispositivos LB conseguiram comutar seu estado resistivo com um menor de varreduras I-V.A menor espessura assim como a diferentes organizações desempenham um papel crucial
    para as diferenças observadas na Icc.





    Dissertações/Teses - 2025

    PEDRO PAULO DA SILVA Coerência Quântica de Estados Gaussianos Correlacionados Mistos de Ondas de Matéria Data: 12/11/2025

    Esta tese investiga a coerência quântica via entropia relativa de coerência e comprimentos de
    coerência em posição e momento em estados gaussianos correlacionados mistos de ondas de
    matéria, com ênfase em dois cenários: a evolução livre de ondas de matéria de nêutrons
    produzidos por fontes parcialmente coerentes e a dinâmica de ondas de matéria de
    macromoléculas, como fulerenos, em um banho térmico Markoviano. No primeiro cenário,
    analisamos o comprimento de coerência em posição e momento, bem como a entropia relativade coerência, considerando a correlação inicial entre posição e momento, dada em termos doparâmetro γ. Observou-se que o comprimento de coerência em posição e a entropia relativa decoerência crescem com o tempo e dependem de γ, enquanto o comprimento de coerência noespaço de momentos embora dependa de γ é constante no tempo. A função de Wigner reveloucompressão e rotação no espaço de fase, e fontes parcialmente coerentes modulam acompressão do estado. Uma relação entre a entropia relativa de coerência e os comprimentosde coerência foi estabelecida, sugerindo seu uso como quantificadores de coerência quântica.No segundo cenário, estudamos o impacto do acoplamento com um banho térmico e dascorrelações iniciais entre posição e momento sobre coerência e pureza em macromoléculas.Utilizando equações mestras, verificou-se que maiores correlações aumentam a coerência,mas reduzem a pureza, enquanto que menores correlações favorecem a pureza. Além disso,identificamos um fenômeno inusitado de congelamento da coerência em ondas de matéria defulerenos, o qual é inicialmente influenciado pelo valor da correlação posição e momento γ, mastem valor final independente desse parâmetro. Adicionalmente, estabelecemos uma relaçãoentre coerência e pureza, sugerindo a possibilidade de quantificar a entropia relativa decoerência a partir da pureza, uma grandeza independente da base. Por último, mostramos queé possível extrair informações sobre as propriedades do ambiente medindo da entropia relativa
    de coerência e pureza via reconstrução da matriz densidade.


    ANDERSON GOMES VIEIRA Estudo teórico e computacional das propriedades eletrônicas e mecânicas de alótropos bidimensionais de carbono com hibridizações sp e sp2 via teoria do funcional da densidade (DFT) Data: 15/10/2025

    The search for new two-dimensional carbon networks with tunable electronic
    properties has driven the study of allotropes that combine sp and sp 2
    hybridizations. In this context, this work proposes r��GY a novel rectangular
    graphyne sheet composed of phenyl blocks connected by acetylenic chains,
    similar to hexagonal ��-graphyne This system is arranged on a rectangular
    lattice, analogous to the recently synthesized biphenylene network (BPN). The
    stability of this bidimensional material was investigated from different
    perspectives, and its structural, electronic, and mechanical properties were
    studied through calculations based on Density Functional Theory (DFT) and
    molecular dynamics simulations. The results indicate that r��G is dynamically
    stable, with a phonon spectrum free of imaginary modes and robust behavior
    under elevated thermal conditions, as confirmed by simulations showing bond
    integrity up to 700 K. In its original form, the rectangular graphyne behaves as
    a semiconducting system, presenting pairs of highly localized states. These
    features are directly related to the structural anisotropy of the network, since its
    electronic states exhibit quasi-one-dimensional behavior embedded in the two-
    dimensional structure. In addition, mechanical properties of the 2D sheet were
    calculated, revealing elastic anisotropy, with Young’s modulus and Poisson’s
    ratio depending on the orientation, which reinforces its potential for applications
    in flexible devices. The electronic properties of nanoribbons based on the
    r��G structure were also investigated. It was shown how the electronic structure
    of these nanoribbons depends on width and edge type (armchair and zigzag).
    Nanotubes derived from r��G were analyzed, demonstrating that the band gap
    can be tuned by varying the diameter, which expands the electronic versatility of
    the system. Therefore, these results highlight r��GY proposed in this work, as
    a promising material for future applications, especially in electronic devices, and
    encourage further investigations on the properties of 2D allotropes with sp–sp 2
    hybridizations.


    ISAQUE RUBEN DO NASCIMENTO E SILVA PROPRIEDADES ELETRÔNICAS DE UM NANOCARBONO 2D TETRAGONAL CONTENDO LIGAÇÕES ACETILÊNICAS Data: 14/10/2025

    In this work, we propose the Octite-sp, derived from the insertion of acetylenic
    bridges into Octite SC. This modification changes the structural behavior from
    semiconducting to metallic. Furthermore, we investigated the thermodynamic
    stability of the structure using the Nosé-Hoover thermostat, and its mechanical
    stability using the Born-Huang criterion. The structure showed favorable results,
    indicating the possibility of synthesis. We also analyzed the electronic behavior
    of nanotubes derived from Octite-sp using the zone folding technique. We found
    that for the narrowest nanotube, the results are not accurate when compared to
    those obtained through density functional theory (DFT). For larger nanotubes,
    zone folding yields more accurate results, and we observed that they exhibit
    metallic behavior, consistent with the original 2D structure. As for nanoribbons
    of this material, edge geometry effects proved to be relevant, as for a given
    cutting direction, it is possible to modulate the energy gap opening or closing it
    depending on the nanoribbon type.


    PAULO HENRIQUE GONÇALVES MORAES Estudo do emaranhamento e transições de fase quânticas em cadeias do modelo ANNNI com campo transverso Data: 29/08/2025

    In this work, quantum phase transitions in the one-dimensional Axial
    Next-Nearest Neighbor Ising (ANNNI) model with transverse field were
    investigated, with emphasis on the role of bipartite entanglement as a critical
    indicator. The sensitivity of von Neumann entropy to phase changes was
    analyzed, and how different choices of bipartitions influence its response in the
    transition was evaluated.
    Due to the absence of an exact solution for the model with transverse field at
    the thermodynamic limit, we applied the Lanczos method to numerically
    determine the ground state of finite chains with periodic boundary conditions.
    The quantum critical points were estimated using finite-size scaling (FSS)
    techniques. In addition, spin correlation functions and the structure factor were
    calculated, allowing us to identify magnetic ordering and frustration effects,
    including patterns associated with the devil's staircase. The results reinforce
    that von Neumann entropy, in addition to adequately identifying the transition
    between commensurate phases, is sensitive to spatial modulations originating
    from the competition between interactions in the model.


    FELIPE MARTINS FELIX Propriedades eletrônicas e magnéticas do composto S-grafeno. Data: 26/08/2025

    In the present work, the electronic and magnetic properties of
    S-graphene, a two-dimensional carbon allotrope, were investigated using the
    repulsive Hubbard model solved within the Hartree-Fock approximation
    (mean-field theory) and first-principles calculations based on Density Functional
    Theory (DFT). Initially, the electronic band structure of S-graphene was
    analyzed using the tight-binding model, varying some of the hopping terms,
    taking into account the symmetry of the unit cell. We observed that the
    modulation of these parameters is crucial for the electronic behavior of the
    material, which can exhibit insulating, semiconducting, or metallic phases. We
    also identified the presence of flat bands and Dirac cones, evidencing the
    influence of the hopping terms on the system's electronic structure. There is a
    specific situation where the energy gap disappears, leading the system to a
    metallic phase characterized by the overlap of two flat bands at the Fermi level.

    The investigation of the magnetic properties was carried out employing the
    Hubbard model in the Hartree-Fock approximation. The site-magnetization
    curves as a function of the electronic interaction U revealed a continuous phase
    transition from a paramagnetic to an antiferromagnetic state, characteristic of a
    second-order transition. The phase diagram obtained via mean field identified
    three distinct phases: semimetallic (SM), band insulator, and antiferromagnetic
    insulator (AFMI). We verified that in these phase transitions, the critical value of
    the electronic interaction U can vary between (0.0 − 1.95), demonstrating the
    Cinfluence of the hopping terms on specific bonds at the critical thresholds of U .
    CWe expect that the variation of the hopping terms can be realized by altering the
    distances between the lattice sites, which can be achieved by applying a
    uniaxial force (strain) to the cell. The first-principles results, obtained via DFT,
    corroborated the mean-field predictions. The analysis of the total energy of the
    system as a function of the strain applied in the x-direction of the S-graphene
    unit cell revealed that, in an intermediate deformation region, considering spin
    polarization (SP) results in a lower energy state compared to the system without
    spin polarization (NP). This evidenced the emergence of a magnetically ordered
    phase. Additionally, the spatial distribution of magnetization indicated that the
    central sites of the S-graphene unit cell are primarily responsible for the
    magnetic properties, confirming the mean-field model's predictions. In summary,
    this study demonstrated that the application of strain to the S-graphene
    structure plays a crucial role in the variation of its electronic and magnetic
    properties, with the presence of flat bands and electronic interaction favoring
    the emergence of magnetic phases. As a perspective, the Monte Carlo method
    can be applied to validate and deepen the understanding of the results obtained
    by mean field and DFT.


    DAVID SANTANA MARQUES ALENCAR Comportamento Crítico de Processos Estocásticos em Redes Complexas; Data: 08/04/2025

    We study three stochastic processes, the majority vote model, the
    contact process, and the asynchronous SIR model, with phase transitions in
    complex networks. In theory, we use the heterogeneous mean field theory
    (HMF), which considers vertices with the same degree as equivalent, to predict
    the transition points in each model and the dependence of the order parameter
    on the number of vertices in the network. In each model, it was discovered that
    this dependence is given by a scaling relationship like a power law. The
    exponents related to the transition point deviation and the order parameter, 1/ν
    and β/ν, respectively, presented values compatible with the mean field critical
    exponents, presenting heterogeneous scaling corrections for the case of power
    law networks. Access to finite size dependence was achieved through the use
    of external fields in the differential equations of stochastic processes. The
    computational simulations carried out using the Monte Carlo method agree with
    the scaling relationships obtained in each model.


    THIAGO MIKAEL DA SILVA OLIVEIRA Squeezing Effect in the Gouy Phase of Matter Waves Data: 20/02/2025

    We study the Gouy phase that arises from the time evolution of
    confined matter waves in a harmonic potential. We consider the quantum
    dynamics of a particle represented by a Gaussian wavepacket
    position-momentum correlated. By tuning the parameters that govern its
    evolution, we uncover interesting effects, with a particular focus on squeezing.
    During the squeezing process, a Gouy phase contribution of π/4 accumulates,
    establishing a direct connection between the Gouy phase and a purely quantum
    phenomenon. The interplay between the wavepacket squeezing and spreading
    propagation in one dimension contributes to the total Gouy phase accumulation
    of π/2. Both, squeezing and Gouy phase have been shown independently
    valuable for quantum metrology and state engeenering. By establishing a direct
    and controlable link between these two fundamental phenomena, we broaden
    the scope for quantum-enhanced technologies, offering potential applications in
    precision measurements and quantum communication..


    VÍTOR RODRIGUES DE CARVALHO Processo Epidêmico Difusivo Generalizado com Imunidade Permanente em Duas Dimensões; Data: 20/02/2025

    We study continuous phase transitions in a diffusive epidemiological model with permanent immunity in a square lattice. Based on a
    reaction-diffusion process, with diffusive rates Ds and Di of healthy and infected individuals, respectively, we verified, from an initial infected
    individual, the growth of a cluster formed by activated sites, interpreted as sources of infection. We propose the mapping of this cluster by
    percolation theory using the Newman-Ziff algorithm. Numerical simulations in the model, through a kinetic Monte Carlo algorithm, indicate that the
    phase transition is controlled by the population density ρ, in order to present the same critical exponents of percolation, regardless of the diffusive
    regime. The results obtained indicate that the model in question has the dynamic percolation universality class.


    ITALO ALEFI LIMA DOS SANTOS Síntese, propriedades estruturais, vibracionais e elétricas do trióxido de molibdênio (α-MoO3) dopado com Ag e Al Data: 10/02/2025

    In this work, we present the result of the synthesis and characterization of pure
    α-MoO3 and doped with different concentrations of silver (Ag) and aluminum
    (Al) by thermal decomposition of ammonium heptamolybdate in the solvents:
    acetone, isopropyl alcohol and methyl alcohol, for times of 2, 4 and 6 hours of
    calcination at a temperature of 350 oC. The structural analysis performed by X-
    ray diffraction (XRD) confirmed the stable and single-phase orthorhombic phase
    of the α-MoO3 samples with successful doping. Quantitative analysis of the
    diffraction patterns was performed through Rietveld refinement, identifying the
    action of the dopant on the lattice parameters of the crystal structure. After the
    incorporation of Ag and Al into α-MoO3, changes in vibrational modes were
    identified using Raman spectroscopy and Fourier transform infrared
    spectroscopy (FTIR), respectively. UV-Vis diffuse reflectance spectroscopy(DRS) was used to evaluate the optical properties, highlighting the bandgap
    variation of the samples, which was between 3.1 and 3.4 eV. The electrical
    properties demonstrated that the samples behave as semiconductors, with
    those with a lower dopant concentration (1.0% Ag and 0.5% Al) presenting a
    better electrical response compared to the pure sample.