With emerging contextual factors and epidemiological transition of HIV/AIDS, the role and contributions of health behavior theories (HBT) are a compelling question after three decades of efforts to eradicate HIV. This study aims at exploring the global and historical evolution of literature and suggesting the most frequent research topics and research gaps in relation to the use of HBT in HIV/AIDS. A cross-sectional analysis of global HIV/AIDS bibliography was conducted through Web of Science (WoS) up to December 31, 2017. We utilized exploratory factor analysis to test the likelihood of research domains and landscape from the abstracts. A total of 29,997 papers in 153 HIV-related research areas were retrieved from the WoS database. This study suggests that HIV/AIDS research based on HBTs is increasing, and mainly focuses on elucidating traditional HIV driven factors and consonant with western perspectives most HBTs tend to be individually focused. Despite its important advancement, more research based on HBTs is essential to provide cultural background, social value, and contextualized factors where the HIV pandemic is dynamic; where new cases are transmitted from high-risk subgroups to the general population; and where epidemiological, social, and behavioral transitions change new infection routes, new perspectives for health service delivery especially non-medical services, and resource allocation.